ketcher-react 2.18.0-rc.2 → 2.18.0-rc.3

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (17) hide show
  1. package/dist/components/StructRender/types.d.ts +6 -4
  2. package/dist/index.css +1 -1
  3. package/dist/index.css.map +1 -1
  4. package/dist/index.js +578 -389
  5. package/dist/index.js.map +1 -1
  6. package/dist/index.modern.js +576 -388
  7. package/dist/index.modern.js.map +1 -1
  8. package/dist/script/ui/action/index.d.ts +1 -1
  9. package/dist/script/ui/state/editor/selectors/index.d.ts +16 -0
  10. package/dist/script/ui/state/server/selectors/index.d.ts +16 -0
  11. package/dist/script/ui/state/shared.d.ts +1 -0
  12. package/dist/script/ui/utils/fileOpener.d.ts +0 -15
  13. package/dist/script/ui/views/modal/components/document/Open/components/CDXStructuresViewer/CDXStructuresViewer.d.ts +23 -0
  14. package/dist/script/ui/views/modal/components/document/Open/components/CDXStructuresViewer/index.d.ts +2 -0
  15. package/dist/script/ui/views/modal/components/document/Open/components/ViewSwitcher.d.ts +3 -1
  16. package/package.json +2 -1
  17. package/dist/script/ui/views/toolbars/shortcutStr.d.ts +0 -1
package/dist/index.js CHANGED
@@ -39,7 +39,6 @@ var _typeof$3 = require('@babel/runtime/helpers/typeof');
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  var Ajv = require('ajv');
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  var fp = require('lodash/fp');
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  var _toConsumableArray = require('@babel/runtime/helpers/toConsumableArray');
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- var reactDeviceDetect = require('react-device-detect');
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  var styled = require('@emotion/styled');
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  var _taggedTemplateLiteral = require('@babel/runtime/helpers/taggedTemplateLiteral');
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  var KN = require('w3c-keyname');
@@ -48,6 +47,7 @@ var ReactDOM = require('react-dom');
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  var reactRedux = require('react-redux');
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  var redux = require('redux');
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  var _ = require('lodash');
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+ var CFB = require('cfb');
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  var require$$0$2 = require('util');
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  require('redux-logger');
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  var thunk = require('redux-thunk');
@@ -55,6 +55,7 @@ var useResizeObserver = require('use-resize-observer/polyfilled');
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  var reactIntersectionObserver = require('react-intersection-observer');
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  var material = require('@mui/material');
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  var reselect = require('reselect');
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+ var reactDeviceDetect = require('react-device-detect');
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  var _classPrivateFieldGet = require('@babel/runtime/helpers/classPrivateFieldGet');
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  var _classPrivateFieldSet = require('@babel/runtime/helpers/classPrivateFieldSet');
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  var _assertThisInitialized$2 = require('@babel/runtime/helpers/assertThisInitialized');
@@ -123,6 +124,7 @@ var KN__namespace = /*#__PURE__*/_interopNamespace(KN);
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  var _slicedToArray__default = /*#__PURE__*/_interopDefaultLegacy(_slicedToArray$1);
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  var ReactDOM__default = /*#__PURE__*/_interopDefaultLegacy(ReactDOM);
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  var ___default = /*#__PURE__*/_interopDefaultLegacy(_);
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+ var CFB__namespace = /*#__PURE__*/_interopNamespace(CFB);
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  var require$$0__default = /*#__PURE__*/_interopDefaultLegacy(require$$0$2);
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  var thunk__default = /*#__PURE__*/_interopDefaultLegacy(thunk);
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  var useResizeObserver__default = /*#__PURE__*/_interopDefaultLegacy(useResizeObserver);
@@ -335,8 +337,8 @@ var debugObj = {
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  var classes$R = {"cliparea":"cliparea-module_cliparea__GdPrN"};
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  function isClipboardAPIAvailable() {
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- var _navigator;
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- return typeof ((_navigator = navigator) === null || _navigator === void 0 || (_navigator = _navigator.clipboard) === null || _navigator === void 0 ? void 0 : _navigator.writeText) === 'function';
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+ var _navigator, _navigator2;
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+ return typeof ((_navigator = navigator) === null || _navigator === void 0 || (_navigator = _navigator.clipboard) === null || _navigator === void 0 ? void 0 : _navigator.writeText) === 'function' && typeof ((_navigator2 = navigator) === null || _navigator2 === void 0 || (_navigator2 = _navigator2.clipboard) === null || _navigator2 === void 0 ? void 0 : _navigator2.read) === 'function';
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  }
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  function notifyCopyCut() {
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  var event = new Event('copyOrCutComplete');
@@ -350,6 +352,7 @@ function _callSuper$b(t, o, e) { return o = _getPrototypeOf__default["default"](
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  function _isNativeReflectConstruct$d() { try { var t = !Boolean.prototype.valueOf.call(Reflect.construct(Boolean, [], function () {})); } catch (t) {} return (_isNativeReflectConstruct$d = function _isNativeReflectConstruct() { return !!t; })(); }
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  var ieCb = window.clipboardData;
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  var CLIP_AREA_BASE_CLASS = 'cliparea';
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+ var needSkipCopyEvent = false;
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  var ClipArea = function (_Component) {
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  _inherits__default["default"](ClipArea, _Component);
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  function ClipArea(props) {
@@ -389,10 +392,20 @@ var ClipArea = function (_Component) {
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  });
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  });
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  } else {
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- var data = _this2.props.onLegacyCopy();
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- if (data) {
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- legacyCopy(event.clipboardData, data);
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+ if (needSkipCopyEvent) {
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+ needSkipCopyEvent = false;
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+ return;
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  }
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+ needSkipCopyEvent = true;
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+ _this2.props.onCopy().then(function (data) {
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+ addEventListener('copy', function (evt) {
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+ legacyCopy(evt.clipboardData, data);
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+ evt.preventDefault();
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+ }, {
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+ once: true
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+ });
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+ document.execCommand('copy');
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+ });
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  event.preventDefault();
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  }
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  },
@@ -681,8 +694,8 @@ function exec(action) {
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  return enabled;
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  }
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- function ownKeys$1m(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
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- function _objectSpread$1m(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1m(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1m(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
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+ function ownKeys$1n(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
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+ function _objectSpread$1n(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1n(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1n(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
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  var editor = {
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  resetToSelect: {
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  title: 'Reset to Select Tool',
@@ -937,7 +950,7 @@ var optionsSchema = {
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  title: 'Settings',
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  type: 'object',
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  required: [],
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- properties: _objectSpread$1m(_objectSpread$1m(_objectSpread$1m(_objectSpread$1m(_objectSpread$1m({}, editor), render), server), debug), miew)
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+ properties: _objectSpread$1n(_objectSpread$1n(_objectSpread$1n(_objectSpread$1n(_objectSpread$1n({}, editor), render), server), debug), miew)
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  };
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  function getDefaultOptions() {
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  if (!optionsSchema.properties) return {};
@@ -1001,7 +1014,7 @@ var storage = {
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  }
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  };
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- var templatesRawData$2 = "alpha-D-Allopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.4110 3.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4110 1.6992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2304 0.7587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.0499 1.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2360 3.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.8478 2.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3208 3.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3208 2.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2360 1.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1456 2.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1456 3.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.0499 3.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 6 0 0\n 9 3 1 6 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl1\n\n> <atomid>\n0\n\n> 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1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 6 0 0\n 9 3 1 6 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl8\n\n$$$$\nalpha-D-Idopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.9244 2.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9244 1.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2208 0.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5132 1.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2209 2.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0837 2.2895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5706 2.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5706 1.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2209 1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8670 1.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8670 2.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5132 2.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 1 0 0\n 9 3 1 6 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl9\n\n$$$$\nalpha-D-Lyxofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.1148 2.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6088 1.3976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2406 1.3947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4419 3.1538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2054 2.3397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8260 2.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0531 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8102 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0483 2.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7589 2.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 1 0 0\n 8 3 1 1 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl10\n\n$$$$\nalpha-D-Lyxopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.4513 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4513 1.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7520 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0444 1.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7521 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1017 2.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1017 1.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7521 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3940 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3940 2.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 1 0 0\n 8 3 1 1 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl11\n\n$$$$\nalpha-D-Mannopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.1577 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1577 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4542 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7466 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4543 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3171 2.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8039 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8039 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4543 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1004 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1004 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7466 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 1 0 0\n 9 3 1 1 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl12\n\n$$$$\nalpha-D-Psicofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n 15.0740 -8.2784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3759 -8.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7463 -10.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5700 -10.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6353 -7.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2665 -9.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1656 -7.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4589 -8.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1574 -9.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1460 -9.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8298 -8.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8731 -8.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 1 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 6 0 0\n 9 3 1 6 0 0\n 8 2 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl13\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Ribofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -1.8940 2.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3879 1.1893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0198 1.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2211 2.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9845 2.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6051 2.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8322 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5894 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8274 2.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5381 2.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 6 0 0\n 8 3 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl14\n\n$$$$\nalpha-D-Ribopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.1138 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1138 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4145 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7069 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4146 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7642 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7642 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4146 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0565 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0565 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 6 0 0\n 8 3 1 6 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl15\n\n$$$$\nalpha-D-Sorbofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.6290 2.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1517 2.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6232 1.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2529 1.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4552 2.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2290 2.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3092 2.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8384 2.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0642 1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8216 1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0626 2.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7789 2.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 0 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 1 0 0\n 9 3 1 6 0 0\n 8 2 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl16\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Tagatofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.3790 2.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9017 2.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3732 0.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0029 0.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2052 2.7179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9790 1.9032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0592 2.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5884 2.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8142 1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5716 1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8126 2.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5289 2.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 0 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 1 0 0\n 9 3 1 1 0 0\n 8 2 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl17\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Talopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.9910 2.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9910 1.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2875 0.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5799 1.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2834 2.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1462 2.4562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6372 2.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6372 1.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2834 1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9337 1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9337 2.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5799 2.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 1 0 0\n 9 3 1 1 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl18\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Threofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 1 0 999 V2000\n -2.8117 2.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3057 1.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9335 1.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1388 2.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5229 2.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7458 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5029 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7410 2.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8 4 1 0 0 0\n 8 7 1 0 0 0\n 4 5 1 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 1 1 6 0 0\n 6 2 1 1 0 0\n 7 3 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl19\n\n$$$$\nalpha-D-Xylofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.1648 2.8084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6588 1.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2948 1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4919 3.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2554 2.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8760 2.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0989 1.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8560 1.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0983 2.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8048 2.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 6 0 0\n 8 3 1 1 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl20\n\n$$$$\nalpha-D-Xylopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.5429 3.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5429 1.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8396 0.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1360 1.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8396 3.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1934 2.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1934 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8396 1.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4899 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4899 2.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5 10 1 0 0 0\n 10 9 1 0 0 0\n 9 8 1 0 0 0\n 8 7 1 0 0 0\n 7 6 1 0 0 0\n 6 5 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 6 0 0\n 8 3 1 1 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl21\n\n$$$$\nCyclopenta-1,3-diene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 9.6696 -5.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6696 -4.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4243 -4.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1804 -4.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1804 -5.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 1 5 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <prerender>\nlibrary.svg#tmpl22\n\n> <atomid>\n2\n\n> <bondid>\n1\n\n$$$$\n1H-indene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 7.1899 -4.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1899 -5.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0555 -5.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9228 -5.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9228 -4.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0555 -3.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8731 -5.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4601 -4.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8731 -3.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 6 1 0 0 0\n 1 6 2 0 0 0\n 4 7 1 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 5 9 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <prerender>\nlibrary.svg#tmpl23\n\n> <atomid>\n6\n\n> <bondid>\n7\n\n$$$$\nNaphtalene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 11.0090 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1429 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1429 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0090 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8751 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8751 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7410 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7410 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6071 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6071 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 6 2 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 8 1 0 0 0\n 7 10 2 0 0 0\n 8 9 2 0 0 0\n 9 10 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <prerender>\nlibrary.svg#tmpl24\n\n> <atomid>\n6\n\n> <bondid>\n10\n\n$$$$\nAzulene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 12.4941 -7.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2759 -5.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4941 -5.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5192 -5.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0853 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5192 -7.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2270 -5.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2759 -6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2270 -7.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8147 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 8 2 0 0 0\n 1 6 1 0 0 0\n 2 3 1 0 0 0\n 3 4 2 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 7 2 2 0 0 0\n 7 10 1 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 2 8 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <prerender>\nlibrary.svg#tmpl25\n\n> <atomid>\n4\n\n> <bondid>\n4\n\n$$$$\nE-Stilbene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 15 0 0 0 999 V2000\n 10.8250 -2.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8250 -2.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3250 -3.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8249 -4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8249 -4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3250 -3.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3250 -3.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8250 -4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8250 -4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3250 -5.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3250 -5.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8250 -4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3250 -3.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3250 -3.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 6 2 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 14 9 1 0 0 0\n 10 9 2 0 0 0\n 10 11 1 0 0 0\n 11 12 2 0 0 0\n 12 13 1 0 0 0\n 13 14 2 0 0 0\nM END\n> <group>\nAromatics\n\n> <prerender>\nlibrary.svg#tmpl26\n\n> <atomid>\n2\n\n> <bondid>\n3\n\n$$$$\nZ-Stilbene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 15 0 0 0 999 V2000\n 12.3750 -3.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3750 -3.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8750 -4.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3749 -5.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3749 -5.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8750 -4.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8750 -3.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8750 -3.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3750 -3.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8750 -4.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3750 -5.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3750 -5.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8750 -4.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3750 -3.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 6 2 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 6 1 0 0 0\n 1 7 1 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 9 14 2 0 0 0\n 10 11 2 0 0 0\n 11 12 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <prerender>\nlibrary.svg#tmpl27\n\n> <atomid>\n3\n\n> <bondid>\n3\n\n$$$$\nAnthracene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 16 0 0 0 999 V2000\n 8.0930 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2269 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2269 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0930 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9591 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9591 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8250 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8250 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6911 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6911 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5571 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5571 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4231 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4231 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 6 2 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 8 1 0 0 0\n 7 10 2 0 0 0\n 8 9 2 0 0 0\n 11 10 1 0 0 0\n 9 10 1 0 0 0\n 9 12 1 0 0 0\n 11 14 2 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <prerender>\nlibrary.svg#tmpl28\n\n> <atomid>\n10\n\n> <bondid>\n15\n\n$$$$\nPhenantrene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 16 0 0 0 999 V2000\n 10.7760 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9099 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9099 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7760 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6420 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6420 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5080 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5080 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3740 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3740 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5080 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3740 -5.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2401 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2401 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 6 2 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 8 1 0 0 0\n 7 10 2 0 0 0\n 9 10 1 0 0 0\n 8 11 2 0 0 0\n 8 9 1 0 0 0\n 9 14 2 0 0 0\n 11 12 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <prerender>\nlibrary.svg#tmpl29\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nPyrene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 16 19 0 0 0 999 V2000\n 13.2084 -1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2084 -2.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0732 -3.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9399 -2.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9399 -1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0732 -1.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0732 -4.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9399 -4.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8066 -4.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8066 -3.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3434 -3.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3434 -4.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2084 -4.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2065 -5.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0732 -6.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9399 -5.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 1 6 1 0 0 0\n 3 7 2 0 0 0\n 7 8 1 0 0 0\n 8 9 2 0 0 0\n 9 10 1 0 0 0\n 4 10 2 0 0 0\n 2 11 1 0 0 0\n 11 12 2 0 0 0\n 12 13 1 0 0 0\n 7 13 1 0 0 0\n 13 14 2 0 0 0\n 14 15 1 0 0 0\n 15 16 2 0 0 0\n 8 16 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <prerender>\nlibrary.svg#tmpl30\n\n> <atomid>\n10\n\n> <bondid>\n12\n\n$$$$\nTriphenylene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 21 0 0 0 999 V2000\n 10.5140 -3.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5140 -4.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3807 -4.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2474 -4.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2474 -3.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3807 -2.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6491 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7859 -3.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7859 -4.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6491 -4.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1141 -2.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1141 -1.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2474 -1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3807 -1.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3807 -5.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2474 -6.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1141 -5.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1141 -4.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 2 3 1 0 0 0\n 3 4 2 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 1 6 1 0 0 0\n 1 7 1 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 2 10 1 0 0 0\n 5 11 1 0 0 0\n 11 12 2 0 0 0\n 12 13 1 0 0 0\n 13 14 2 0 0 0\n 6 14 1 0 0 0\n 3 15 1 0 0 0\n 15 16 2 0 0 0\n 16 17 1 0 0 0\n 17 18 2 0 0 0\n 4 18 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <prerender>\nlibrary.svg#tmpl31\n\n> <atomid>\n7\n\n> <bondid>\n8\n\n$$$$\nTriptycene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 20 24 0 0 0 999 V2000\n 9.9580 -4.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9460 -4.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4637 -3.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5123 -3.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9580 -2.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5123 -2.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3265 -3.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8129 -4.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5262 -5.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3987 -5.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9317 -4.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3151 -3.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4284 -3.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6530 -3.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1683 -4.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0407 -4.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5412 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7350 -0.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4524 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7528 -1.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 1 5 1 0 0 0\n 5 6 2 0 0 0\n 4 6 1 0 0 0\n 4 7 1 0 0 0\n 1 8 1 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\n 11 12 2 0 0 0\n 7 12 1 0 0 0\n 3 13 1 0 0 0\n 13 14 2 0 0 0\n 14 15 1 0 0 0\n 15 16 2 0 0 0\n 2 16 1 0 0 0\n 5 17 1 0 0 0\n 17 18 2 0 0 0\n 18 19 1 0 0 0\n 19 20 2 0 0 0\n 6 20 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <prerender>\nlibrary.svg#tmpl32\n\n> <atomid>\n18\n\n> <bondid>\n21\n\n$$$$\n14-Annulene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 14 0 0 0 999 V2000\n 12.0122 -0.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1483 -1.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1861 -2.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8762 -2.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8762 -1.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3221 -2.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3221 -3.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1861 -4.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9139 -4.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7779 -3.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7779 -2.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1861 -5.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0500 -5.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9139 -5.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 5 2 0 0 0\n 2 3 2 0 0 0\n 4 5 1 0 0 0\n 3 6 1 0 0 0\n 6 7 2 0 0 0\n 7 8 1 0 0 0\n 4 11 2 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\n 14 9 1 0 0 0\n 8 12 2 0 0 0\n 12 13 1 0 0 0\n 13 14 2 0 0 0\nM END\n> <group>\nAromatics\n\n> <prerender>\nlibrary.svg#tmpl33\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\n18-Annulene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 9.2590 6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3930 5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3930 4.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1250 5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9910 6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8570 4.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8570 5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8570 2.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7230 3.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7230 4.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5270 4.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5270 3.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3930 2.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3930 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2590 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1250 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9910 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8570 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 1 4 1 0 0 0\n 2 3 1 0 0 0\n 5 4 2 0 0 0\n 5 7 1 0 0 0\n 6 7 2 0 0 0\n 6 10 1 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 3 11 2 0 0 0\n 11 12 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\n 14 15 2 0 0 0\n 15 16 1 0 0 0\n 16 17 2 0 0 0\n 18 8 2 0 0 0\n 17 18 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <prerender>\nlibrary.svg#tmpl34\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nPorphyrin\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 24 28 0 0 0 999 V2000\n 6.4862 -8.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1697 -9.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0926 -8.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9419 -7.9790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9418 -7.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1979 -4.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4907 -5.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9262 -6.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8876 -5.8394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0931 -4.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4706 -6.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4476 -5.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7641 -4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8408 -4.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0279 -5.8563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9564 -5.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9807 -4.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8077 -9.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4794 -8.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0074 -7.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0106 -7.9610 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8407 -8.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9886 -9.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4636 -6.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 2 3 1 0 0 0\n 3 4 2 0 0 0\n 4 5 1 0 0 0\n 1 5 1 0 0 0\n 5 11 2 0 0 0\n 3 23 1 0 0 0\n 6 7 1 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 6 10 2 0 0 0\n 10 17 1 0 0 0\n 8 11 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 15 16 2 0 0 0\n 12 16 1 0 0 0\n 16 24 1 0 0 0\n 14 17 2 0 0 0\n 18 19 2 0 0 0\n 19 20 1 0 0 0\n 20 21 1 0 0 0\n 21 22 1 0 0 0\n 18 22 1 0 0 0\n 22 23 2 0 0 0\n 20 24 2 0 0 0\nM END\n> <group>\nAromatics\n\n> <prerender>\nlibrary.svg#tmpl35\n\n> <atomid>\n10\n\n> <bondid>\n0\n\n$$$$\nPhthalocyanine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 40 48 0 0 0 999 V2000\n 13.9159 -3.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8818 -3.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5888 -3.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3301 -4.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3641 -5.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9102 -6.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3641 -7.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9102 -7.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3641 -8.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3301 -9.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5888 -10.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8818 -10.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9159 -10.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6571 -9.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7660 -9.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9224 -8.0474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8750 -9.4891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9840 -9.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0929 -9.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8341 -10.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8682 -10.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1612 -10.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4199 -9.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3859 -8.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8398 -7.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8276 -8.0474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3859 -7.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8398 -6.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3859 -5.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4199 -4.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1612 -3.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8682 -3.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8341 -3.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0929 -4.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9840 -4.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8276 -5.9526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8750 -4.5109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7660 -4.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9224 -5.9526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6571 -4.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 2 3 1 0 0 0\n 3 4 2 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 2 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\n 11 12 2 0 0 0\n 12 13 1 0 0 0\n 13 14 2 0 0 0\n 9 14 1 0 0 0\n 14 15 1 0 0 0\n 15 16 1 0 0 0\n 8 16 2 0 0 0\n 15 17 2 0 0 0\n 17 18 1 0 0 0\n 18 19 2 0 0 0\n 19 20 1 0 0 0\n 20 21 2 0 0 0\n 21 22 1 0 0 0\n 22 23 2 0 0 0\n 23 24 1 0 0 0\n 19 24 1 0 0 0\n 24 25 2 0 0 0\n 25 26 1 0 0 0\n 18 26 1 0 0 0\n 25 27 1 0 0 0\n 27 28 2 0 0 0\n 28 29 1 0 0 0\n 29 30 2 0 0 0\n 30 31 1 0 0 0\n 31 32 2 0 0 0\n 32 33 1 0 0 0\n 33 34 2 0 0 0\n 29 34 1 0 0 0\n 34 35 1 0 0 0\n 35 36 2 0 0 0\n 28 36 1 0 0 0\n 35 37 1 0 0 0\n 37 38 2 0 0 0\n 38 39 1 0 0 0\n 6 39 1 0 0 0\n 38 40 1 0 0 0\n 1 40 1 0 0 0\n 5 40 2 0 0 0\nM END\n> <group>\nAromatics\n\n> <prerender>\nlibrary.svg#tmpl36\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nC60\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 60 90 0 0 0 999 V2000\n 10.6305 -3.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4365 -3.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8444 -4.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4219 -5.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5101 -5.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5398 -3.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6243 -3.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6091 -4.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2501 -2.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0714 -2.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6279 -4.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2354 -2.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7973 -2.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4171 -1.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9548 -0.9954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1712 -1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7491 -4.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3544 -3.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8607 -5.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0881 -2.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1915 -1.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6908 -3.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7895 -2.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5564 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2017 -6.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0400 -6.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6031 -6.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3296 -5.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6757 -4.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1284 -6.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5026 -6.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7601 -5.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6003 -5.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1810 -6.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8290 -5.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0080 -7.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3450 -7.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7432 -6.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1088 -6.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8830 -6.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6700 -4.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0651 -5.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2290 -6.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4556 -3.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6990 -2.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8777 -3.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8635 -4.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4704 -2.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0974 -1.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2911 -1.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1183 -1.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6963 -2.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5507 -3.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9700 -2.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2594 -1.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4391 -3.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0504 -5.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2122 -5.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9459 -4.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6724 -4.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 1 3 1 0 0 0\n 1 12 1 0 0 0\n 2 4 1 0 0 0\n 2 6 1 0 0 0\n 3 11 2 0 0 0\n 3 35 1 0 0 0\n 4 5 2 0 0 0\n 4 33 1 0 0 0\n 5 8 1 0 0 0\n 5 38 1 0 0 0\n 6 7 2 0 0 0\n 6 13 1 0 0 0\n 7 8 1 0 0 0\n 7 54 1 0 0 0\n 8 59 2 0 0 0\n 9 10 2 0 0 0\n 9 11 1 0 0 0\n 9 20 1 0 0 0\n 10 12 1 0 0 0\n 10 14 1 0 0 0\n 11 19 1 0 0 0\n 12 13 2 0 0 0\n 13 16 1 0 0 0\n 14 15 2 0 0 0\n 14 21 1 0 0 0\n 15 16 1 0 0 0\n 15 50 1 0 0 0\n 16 55 2 0 0 0\n 17 18 1 0 0 0\n 17 19 2 0 0 0\n 17 28 1 0 0 0\n 18 20 2 0 0 0\n 18 22 1 0 0 0\n 19 27 1 0 0 0\n 20 21 1 0 0 0\n 21 24 2 0 0 0\n 22 23 2 0 0 0\n 22 29 1 0 0 0\n 23 24 1 0 0 0\n 23 46 1 0 0 0\n 24 51 1 0 0 0\n 25 26 1 0 0 0\n 25 27 2 0 0 0\n 25 36 1 0 0 0\n 26 28 2 0 0 0\n 26 30 1 0 0 0\n 27 35 1 0 0 0\n 28 29 1 0 0 0\n 29 32 2 0 0 0\n 30 31 2 0 0 0\n 30 37 1 0 0 0\n 31 32 1 0 0 0\n 31 42 1 0 0 0\n 32 47 1 0 0 0\n 33 34 1 0 0 0\n 33 35 2 0 0 0\n 34 36 2 0 0 0\n 34 38 1 0 0 0\n 36 37 1 0 0 0\n 37 40 2 0 0 0\n 38 39 2 0 0 0\n 39 40 1 0 0 0\n 39 58 1 0 0 0\n 40 43 1 0 0 0\n 41 42 1 0 0 0\n 41 44 2 0 0 0\n 41 47 1 0 0 0\n 42 43 2 0 0 0\n 43 57 1 0 0 0\n 44 48 1 0 0 0\n 44 60 1 0 0 0\n 45 46 1 0 0 0\n 45 48 2 0 0 0\n 45 51 1 0 0 0\n 46 47 2 0 0 0\n 48 52 1 0 0 0\n 49 50 1 0 0 0\n 49 52 2 0 0 0\n 49 55 1 0 0 0\n 50 51 2 0 0 0\n 52 56 1 0 0 0\n 53 54 2 0 0 0\n 53 56 1 0 0 0\n 53 59 1 0 0 0\n 54 55 1 0 0 0\n 56 60 2 0 0 0\n 57 58 2 0 0 0\n 57 60 1 0 0 0\n 58 59 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <prerender>\nlibrary.svg#tmpl37\n\n$$$$\nC80\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 80120 0 0 0 999 V2000\n 11.8140 -5.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5730 -4.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3980 -3.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3673 -3.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8724 -5.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8224 -5.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6539 -5.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4150 -4.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9660 -2.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7771 -1.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0084 -2.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3368 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7715 -2.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5128 -1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3575 -1.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1355 -0.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8558 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6671 -4.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4256 -3.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1773 -3.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0790 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2783 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7476 -1.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7551 -0.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3396 0.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9755 0.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7881 0.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0200 0.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5229 -1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3638 -0.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1415 -0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7930 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6051 -0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0017 -1.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6029 -2.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2792 -3.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3934 -0.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8243 -2.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5823 -2.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0719 -3.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3761 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5941 -0.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4269 -0.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8338 -1.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0674 -4.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5676 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3874 -3.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7983 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7257 -4.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1077 -6.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8850 -5.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4555 -6.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4785 -3.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8925 -4.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7361 -4.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1144 -5.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9102 -6.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4615 -6.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2725 -6.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2295 -6.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1717 -6.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5034 -4.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9729 -5.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4956 -5.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2845 -3.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2423 -4.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4737 -4.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9139 -5.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4340 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8516 -2.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6760 -1.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8824 -2.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1818 -1.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8621 -2.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6814 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4502 -0.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6453 -5.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6473 -3.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2489 -4.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9708 -3.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 1 5 1 0 0 0\n 1 48 1 0 0 0\n 2 3 1 0 0 0\n 2 4 1 0 0 0\n 3 11 2 0 0 0\n 3 47 1 0 0 0\n 4 8 2 0 0 0\n 4 9 1 0 0 0\n 5 7 2 0 0 0\n 5 59 1 0 0 0\n 6 7 1 0 0 0\n 6 17 2 0 0 0\n 6 60 1 0 0 0\n 7 8 1 0 0 0\n 8 19 1 0 0 0\n 9 10 2 0 0 0\n 9 13 1 0 0 0\n 10 11 1 0 0 0\n 10 12 1 0 0 0\n 11 23 1 0 0 0\n 12 16 2 0 0 0\n 12 21 1 0 0 0\n 13 15 2 0 0 0\n 13 19 1 0 0 0\n 14 15 1 0 0 0\n 14 20 2 0 0 0\n 14 29 1 0 0 0\n 15 16 1 0 0 0\n 16 31 1 0 0 0\n 17 18 1 0 0 0\n 17 77 1 0 0 0\n 18 19 2 0 0 0\n 18 20 1 0 0 0\n 20 80 1 0 0 0\n 21 22 2 0 0 0\n 21 25 1 0 0 0\n 22 23 1 0 0 0\n 22 24 1 0 0 0\n 23 35 2 0 0 0\n 24 28 2 0 0 0\n 24 33 1 0 0 0\n 25 27 1 0 0 0\n 25 31 2 0 0 0\n 26 27 2 0 0 0\n 26 32 1 0 0 0\n 26 41 1 0 0 0\n 27 28 1 0 0 0\n 28 43 1 0 0 0\n 29 30 2 0 0 0\n 29 73 1 0 0 0\n 30 31 1 0 0 0\n 30 32 1 0 0 0\n 32 76 2 0 0 0\n 33 34 2 0 0 0\n 33 37 1 0 0 0\n 34 35 1 0 0 0\n 34 36 1 0 0 0\n 35 47 1 0 0 0\n 36 40 1 0 0 0\n 36 45 2 0 0 0\n 37 39 2 0 0 0\n 37 43 1 0 0 0\n 38 39 1 0 0 0\n 38 44 2 0 0 0\n 38 53 1 0 0 0\n 39 40 1 0 0 0\n 40 55 2 0 0 0\n 41 42 1 0 0 0\n 41 69 2 0 0 0\n 42 43 2 0 0 0\n 42 44 1 0 0 0\n 44 72 1 0 0 0\n 45 46 1 0 0 0\n 45 49 1 0 0 0\n 46 47 2 0 0 0\n 46 48 1 0 0 0\n 48 52 2 0 0 0\n 49 51 2 0 0 0\n 49 55 1 0 0 0\n 50 51 1 0 0 0\n 50 56 1 0 0 0\n 50 57 2 0 0 0\n 51 52 1 0 0 0\n 52 59 1 0 0 0\n 53 54 2 0 0 0\n 53 65 1 0 0 0\n 54 55 1 0 0 0\n 54 56 1 0 0 0\n 56 68 2 0 0 0\n 57 58 1 0 0 0\n 57 61 1 0 0 0\n 58 59 2 0 0 0\n 58 60 1 0 0 0\n 60 64 2 0 0 0\n 61 63 2 0 0 0\n 61 68 1 0 0 0\n 62 63 1 0 0 0\n 62 66 1 0 0 0\n 62 78 2 0 0 0\n 63 64 1 0 0 0\n 64 77 1 0 0 0\n 65 67 2 0 0 0\n 65 72 1 0 0 0\n 66 67 1 0 0 0\n 66 70 2 0 0 0\n 67 68 1 0 0 0\n 69 71 1 0 0 0\n 69 76 1 0 0 0\n 70 71 1 0 0 0\n 70 74 1 0 0 0\n 71 72 2 0 0 0\n 73 75 1 0 0 0\n 73 80 2 0 0 0\n 74 75 2 0 0 0\n 74 78 1 0 0 0\n 75 76 1 0 0 0\n 77 79 2 0 0 0\n 78 79 1 0 0 0\n 79 80 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <prerender>\nlibrary.svg#tmpl38\n\n$$$$\nbeta-D-Allopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.8119 2.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8119 1.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1792 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5466 1.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1834 2.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1462 2.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4956 2.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4956 1.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1834 1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8670 1.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8670 2.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5466 2.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 6 0 0\n 9 3 1 6 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl39\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Altropyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -0.9910 2.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9910 0.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2875 0.0452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5799 0.7935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2834 2.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1462 1.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6372 1.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6372 1.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2834 0.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9337 1.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9337 1.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5799 2.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 1 0 0\n 9 3 1 6 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl40\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Arabinofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -1.4482 2.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9421 0.8559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5781 0.8530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7753 2.6122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5387 1.7980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1593 2.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3822 1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1394 1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3816 2.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0881 2.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 1 0 0\n 8 3 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl41\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Arabinopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n 15.5611 -5.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5611 -7.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8228 -8.3002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0958 -7.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8228 -5.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6920 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6920 -6.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8228 -7.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9648 -6.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9648 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5 10 1 0 0 0\n 10 9 1 0 0 0\n 9 8 1 0 0 0\n 8 7 1 0 0 0\n 7 6 1 0 0 0\n 6 5 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 1 0 0\n 8 3 1 6 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl42\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Erythrofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 1 0 999 V2000\n -2.3742 2.6418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8682 1.1059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4960 1.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7013 2.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0854 2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3125 1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0613 1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3035 2.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8 4 1 0 0 0\n 8 7 1 0 0 0\n 4 5 1 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 1 1 1 0 0\n 6 2 1 6 0 0\n 7 3 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl43\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Fructofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.6256 2.7205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1524 2.2530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6198 1.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2536 1.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4559 2.9509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2256 2.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3100 3.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8350 2.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0608 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8182 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0592 2.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7755 2.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 0 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 6 0 0\n 9 3 1 1 0 0\n 8 2 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl44\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Galactopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.5577 2.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5577 1.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8542 0.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1466 1.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8543 2.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7171 2.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2039 2.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2039 1.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8543 1.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5004 1.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5004 2.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1466 2.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 6 0 0\n 9 3 1 1 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl45\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Glucopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.1744 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1744 1.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4708 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7632 1.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4709 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3337 2.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8206 2.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8206 1.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4709 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1170 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1170 2.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7632 2.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 6 0 0\n 9 3 1 1 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl46\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Gulopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.1119 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1119 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4083 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7007 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4084 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2712 2.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7581 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7581 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4084 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0545 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0545 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7007 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 6 0 0\n 9 3 1 6 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl47\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Idopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.9244 2.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9244 1.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2208 0.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5132 1.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2209 2.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0837 2.2895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5706 2.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5706 1.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2209 1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8670 1.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8670 2.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5132 2.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 1 0 0\n 9 3 1 6 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl48\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Lyxofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.1148 2.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6088 1.3976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2406 1.3947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4419 3.1538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2054 2.3397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8260 2.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0531 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8102 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0483 2.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7589 2.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 1 0 0\n 8 3 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl49\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Lyxopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.4513 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4513 1.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7520 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0444 1.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7521 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1017 2.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1017 1.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7521 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3940 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3940 2.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 1 0 0\n 8 3 1 1 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl50\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Mannopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.1577 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1577 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4542 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7466 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4543 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3171 2.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8039 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8039 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4543 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1004 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1004 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7466 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 1 0 0\n 9 3 1 1 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl51\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Psicofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n 14.8241 -7.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1260 -7.7777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4964 -9.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3201 -9.1940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3854 -6.8457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0166 -7.9337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9157 -6.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2090 -7.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9075 -8.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8961 -8.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5799 -7.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6232 -7.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 6 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 6 0 0\n 9 3 1 6 0 0\n 8 2 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl52\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Ribofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -1.8940 2.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3879 1.1893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0198 1.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2211 2.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9845 2.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6051 2.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8322 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5894 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8274 2.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5381 2.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 6 0 0\n 8 3 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl53\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Ribopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.1138 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1138 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4145 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7069 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4146 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7642 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7642 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4146 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0565 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0565 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 6 0 0\n 8 3 1 6 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl54\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Sorbofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.6290 2.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1517 2.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6232 1.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2529 1.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4552 2.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2290 2.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3092 2.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8384 2.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0642 1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8216 1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0626 2.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7789 2.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 0 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 1 0 0\n 9 3 1 6 0 0\n 8 2 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl55\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Tagatofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.3790 2.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9017 2.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3732 0.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0029 0.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2052 2.7179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9790 1.9032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0592 2.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5884 2.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8142 1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5716 1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8126 2.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5289 2.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 0 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 1 0 0\n 9 3 1 1 0 0\n 8 2 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl56\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Talopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.9910 2.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9910 1.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2875 0.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5799 1.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2834 2.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1462 2.4562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6372 2.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6372 1.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2834 1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9337 1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9337 2.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5799 2.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 1 0 0\n 9 3 1 1 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl57\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Threofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 1 0 999 V2000\n -2.8117 2.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3057 1.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9335 1.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1388 2.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5229 2.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7458 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5029 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7410 2.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8 4 1 0 0 0\n 8 7 1 0 0 0\n 4 5 1 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 1 1 1 0 0\n 6 2 1 1 0 0\n 7 3 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl58\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Xylofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.1648 2.8084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6588 1.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2948 1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4919 3.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2554 2.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8760 2.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0989 1.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8560 1.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0983 2.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8048 2.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 6 0 0\n 8 3 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl59\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Xylopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.5429 3.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5429 1.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8396 0.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1360 1.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8396 3.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1934 2.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1934 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8396 1.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4899 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4899 2.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5 10 1 0 0 0\n 10 9 1 0 0 0\n 9 8 1 0 0 0\n 8 7 1 0 0 0\n 7 6 1 0 0 0\n 6 5 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 6 0 0\n 8 3 1 1 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <prerender>\nlibrary.svg#tmpl60\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nBicyclo[1-1-1]pentane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 6 0 0 0 999 V2000\n 9.8610 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4888 -6.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5708 -7.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8036 -8.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9790 -7.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 4 5 1 0 0 0\n 1 5 1 0 0 0\n 4 3 1 0 0 0\n 2 4 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl61\n\n> <atomid>\n2\n\n> <bondid>\n1\n\n$$$$\nBicyclo[2-1-1]hexane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 7 0 0 0 999 V2000\n 9.7097 -6.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3181 -5.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4180 -6.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6494 -7.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7820 -7.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4069 -7.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 3 6 1 0 0 0\n 4 5 1 0 0 0\n 4 6 1 0 0 0\n 1 5 1 0 0 0\n 2 4 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl62\n\n> <atomid>\n5\n\n> <bondid>\n2\n\n$$$$\nBicyclo[2-2-1]heptane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 8 0 0 0 999 V2000\n 8.4502 -7.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8558 -6.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5667 -6.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3112 -7.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3890 -5.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4498 -6.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1221 -7.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 1 4 1 0 0 0\n 4 5 1 0 0 0\n 5 3 1 0 0 0\n 3 6 1 0 0 0\n 6 7 1 0 0 0\n 7 4 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl63\n\n> <atomid>\n6\n\n> <bondid>\n6\n\n$$$$\nBicyclo[3-1-1]heptane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 8 0 0 0 999 V2000\n 8.2782 -1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5291 -2.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9238 -2.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7847 -2.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6209 -1.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3670 -1.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6898 -3.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\n 1 6 1 0 0 0\n 6 2 1 0 0 0\n 1 7 1 0 0 0\n 7 4 1 0 0 0\n 4 3 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl64\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nBicyclo[2-2-2]octane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 9 0 0 0 999 V2000\n 10.8583 -6.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9678 -6.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6767 -5.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9692 -6.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1340 -4.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7980 -5.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8417 -5.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8429 -4.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 6 1 0 0 0\n 4 7 1 0 0 0\n 5 8 1 0 0 0\n 6 7 1 0 0 0\n 6 8 1 0 0 0\n 5 2 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl65\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[3-2-1]octane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 9 0 0 0 999 V2000\n 9.0974 -5.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4087 -6.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7744 -6.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5802 -6.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4086 -5.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2389 -5.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9413 -6.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7036 -6.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\n 1 6 1 0 0 0\n 6 2 1 0 0 0\n 4 7 1 0 0 0\n 1 8 1 0 0 0\n 7 8 1 0 0 0\n 4 3 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl66\n\n> <atomid>\n1\n\n> <bondid>\n7\n\n$$$$\nBicyclo[4-1-1]octane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 9 0 0 0 999 V2000\n 9.6925 -6.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0458 -6.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3397 -7.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2905 -6.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9462 -6.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7017 -6.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0038 -6.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8230 -5.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 1 1 0 0 0\n 7 2 1 0 0 0\n 8 1 1 0 0 0\n 1 7 1 0 0 0\n 8 2 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl67\n\n> <atomid>\n6\n\n> <bondid>\n2\n\n$$$$\nBicyclo[4-1-1]octane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 9 0 0 0 999 V2000\n 10.2044 -7.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5546 -7.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4884 -7.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8148 -7.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4736 -7.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2224 -6.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3764 -8.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3337 -6.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 1 1 0 0 0\n 7 2 1 0 0 0\n 8 1 1 0 0 0\n 1 7 1 0 0 0\n 8 2 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl68\n\n> <atomid>\n6\n\n> <bondid>\n2\n\n$$$$\nBicyclo[3-2-2]nonane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 8.9873 -5.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9396 -4.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9753 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0774 -6.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5071 -5.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2317 -7.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8683 -7.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5608 -6.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5275 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 1 4 1 0 0 0\n 2 5 1 0 0 0\n 3 6 1 0 0 0\n 4 7 1 0 0 0\n 5 8 1 0 0 0\n 6 9 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl69\n\n> <atomid>\n5\n\n> <bondid>\n5\n\n$$$$\nBicyclo[3-3-1]nonane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 8.9718 -5.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8721 -5.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4727 -5.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5289 -7.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5522 -7.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0453 -6.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7203 -6.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3240 -5.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6297 -4.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 1 6 1 0 0 0\n 7 8 1 0 0 0\n 8 3 1 0 0 0\n 3 9 1 0 0 0\n 9 1 1 0 0 0\n 1 2 1 0 0 0\n 2 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl70\n\n> <atomid>\n4\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-2-1]nonane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 9.1712 -6.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1464 -6.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8839 -5.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6571 -5.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6761 -5.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9410 -6.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9661 -6.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7138 -6.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9410 -4.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 6 9 1 0 0 0\n 9 5 1 0 0 0\n 8 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl71\n\n> <atomid>\n6\n\n> <bondid>\n9\n\n$$$$\nBicyclo[4-2-1]nonane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 9.8115 -5.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9067 -6.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8460 -5.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6107 -5.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6184 -5.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8802 -6.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7040 -6.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6444 -6.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8802 -4.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 6 9 1 0 0 0\n 9 5 1 0 0 0\n 8 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl72\n\n> <atomid>\n6\n\n> <bondid>\n9\n\n$$$$\nBicyclo[4-2-1]nonane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 7.9553 -6.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1245 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8626 -5.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8073 -5.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6505 -5.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9147 -6.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9374 -6.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6857 -6.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8236 -4.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 8 7 1 0 0 0\n 9 6 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl73\n\n> <atomid>\n6\n\n> <bondid>\n8\n\n$$$$\nBicyclo[5-1-1]nonane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 7.7834 -6.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6536 -6.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4441 -5.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1897 -5.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3360 -5.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0166 -6.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7177 -6.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6682 -6.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6683 -5.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 3 1 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 2 1 0 0 0\n 3 9 1 0 0 0\n 2 9 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl74\n\n> <atomid>\n5\n\n> <bondid>\n4\n\n$$$$\nBicyclo[3-3-2]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 9.6949 -6.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6532 -5.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6838 -7.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8949 -7.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2198 -6.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9375 -8.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5821 -8.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2787 -7.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2352 -7.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0125 -6.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 1 4 1 0 0 0\n 2 5 1 0 0 0\n 3 6 1 0 0 0\n 5 8 1 0 0 0\n 6 9 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 4 10 1 0 0 0\n 10 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl75\n\n> <atomid>\n5\n\n> <bondid>\n4\n\n$$$$\nBicyclo[4-2-2]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 8.8472 -8.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7259 -7.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4386 -7.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2848 -6.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3998 -7.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6896 -7.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8114 -8.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5351 -7.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5895 -6.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8736 -6.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 8 7 1 0 0 0\n 10 6 1 0 0 0\n 9 10 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl76\n\n> <atomid>\n6\n\n> <bondid>\n8\n\n$$$$\nBicyclo[4-2-2]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 8.7142 -6.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8068 -6.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5207 -5.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5526 -5.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4737 -5.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7622 -5.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8793 -6.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6043 -5.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6627 -4.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9456 -4.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 8 7 1 0 0 0\n 10 6 1 0 0 0\n 9 10 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl77\n\n> <atomid>\n6\n\n> <bondid>\n8\n\n$$$$\nBicyclo[4-2-2]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 8.8948 -6.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1410 -7.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0133 -6.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6416 -5.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5699 -5.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8608 -6.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9867 -6.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7095 -6.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7603 -4.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0456 -5.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 8 7 1 0 0 0\n 10 6 1 0 0 0\n 9 10 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl78\n\n> <atomid>\n6\n\n> <bondid>\n8\n\n$$$$\nBicyclo[4-3-1]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 9.3349 -6.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2468 -6.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9681 -5.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7891 -5.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8711 -5.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1522 -6.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1339 -6.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6912 -5.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0551 -4.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6319 -5.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 9 6 1 0 0 0\n 10 8 1 0 0 0\n 10 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl79\n\n> <atomid>\n9\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-3-1]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 8.8223 -6.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1166 -6.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8745 -6.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5558 -5.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5492 -5.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8328 -6.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6175 -6.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4940 -5.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7350 -4.6265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3255 -5.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 9 6 1 0 0 0\n 10 8 1 0 0 0\n 10 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl80\n\n> <atomid>\n9\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-3-1]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 9.4787 -5.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3279 -5.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0029 -5.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0617 -6.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0396 -7.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5557 -6.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1589 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8008 -5.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1673 -4.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6327 -5.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 1 6 1 0 0 0\n 7 8 1 0 0 0\n 8 3 1 0 0 0\n 3 9 1 0 0 0\n 9 1 1 0 0 0\n 1 2 1 0 0 0\n 10 2 1 0 0 0\n 10 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl81\n\n> <atomid>\n4\n\n> <bondid>\n10\n\n$$$$\nBicyclo[4-3-1]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 8.5704 -6.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0229 -7.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0468 -6.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2626 -6.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4354 -7.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7455 -6.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6855 -7.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7071 -7.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1753 -5.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0646 -7.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 1 0 0 0\n 8 3 1 0 0 0\n 3 9 1 0 0 0\n 9 1 1 0 0 0\n 1 2 1 0 0 0\n 10 2 1 0 0 0\n 10 7 1 0 0 0\n 1 6 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl82\n\n> <atomid>\n4\n\n> <bondid>\n9\n\n$$$$\nBicyclo[5-2-1]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 8.3634 -6.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5495 -7.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5102 -6.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2905 -6.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0719 -5.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2732 -5.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9866 -6.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6733 -7.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5735 -7.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5254 -5.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 4 1 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 3 1 0 0 0\n 4 10 1 0 0 0\n 3 10 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl83\n\n> <atomid>\n6\n\n> <bondid>\n0\n\n$$$$\nBicyclo[3-3-3]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 9.9074 -6.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8681 -5.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8403 -6.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1527 -6.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4592 -6.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0797 -7.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8576 -7.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5146 -7.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4171 -7.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3203 -6.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7496 -5.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 1 4 1 0 0 0\n 3 6 1 0 0 0\n 5 8 1 0 0 0\n 6 9 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 4 10 1 0 0 0\n 10 7 1 0 0 0\n 11 5 1 0 0 0\n 11 2 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl84\n\n> <atomid>\n5\n\n> <bondid>\n3\n\n$$$$\nBicyclo[4-3-2]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 7.6205 -6.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4403 -6.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1378 -5.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0284 -5.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2020 -5.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5071 -6.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5718 -6.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0916 -5.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2122 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1122 -5.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5429 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 10 8 1 0 0 0\n 10 7 1 0 0 0\n 11 6 1 0 0 0\n 11 9 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl85\n\n> <atomid>\n9\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-3-2]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 7.3641 -7.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6057 -7.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3457 -7.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0778 -6.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1454 -6.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4502 -7.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2932 -7.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1606 -7.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1660 -5.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0543 -6.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5281 -6.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 10 8 1 0 0 0\n 10 7 1 0 0 0\n 11 6 1 0 0 0\n 11 9 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl86\n\n> <atomid>\n9\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-3-2]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 9.7033 -5.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5086 -5.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2474 -5.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3085 -7.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2474 -7.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7831 -6.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3333 -6.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9996 -5.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4180 -4.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7872 -5.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9628 -5.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 1 6 1 0 0 0\n 7 8 1 0 0 0\n 8 3 1 0 0 0\n 9 1 1 0 0 0\n 1 2 1 0 0 0\n 10 2 1 0 0 0\n 10 7 1 0 0 0\n 11 3 1 0 0 0\n 11 9 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl87\n\n> <atomid>\n4\n\n> <bondid>\n9\n\n$$$$\nBicyclo[4-3-2]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 9.5890 -6.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0222 -6.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0821 -5.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3408 -5.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5198 -6.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8056 -6.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6729 -6.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7305 -6.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4155 -4.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0302 -6.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7926 -5.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 1 0 0 0\n 8 3 1 0 0 0\n 3 9 1 0 0 0\n 1 2 1 0 0 0\n 10 2 1 0 0 0\n 10 7 1 0 0 0\n 11 1 1 0 0 0\n 11 9 1 0 0 0\n 1 6 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl88\n\n> <atomid>\n4\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-4-1]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 7.3728 -6.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5265 -6.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7360 -7.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7807 -7.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6269 -7.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4231 -6.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6410 -5.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3196 -6.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5235 -7.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6773 -7.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2693 -6.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\n 10 9 1 0 0 0\n 5 10 1 0 0 0\n 11 6 1 0 0 0\n 7 5 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl89\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-4-1]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 7.9403 -6.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8374 -6.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0510 -7.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1162 -7.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9789 -7.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7711 -6.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9934 -5.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5477 -6.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9126 -7.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0498 -7.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8001 -6.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\n 10 9 1 0 0 0\n 5 10 1 0 0 0\n 11 6 1 0 0 0\n 7 5 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl90\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-4-1]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 8.3680 -5.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7511 -6.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9725 -6.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5503 -6.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4446 -5.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2291 -5.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4595 -4.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0708 -5.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4489 -5.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5546 -6.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2957 -5.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\n 10 9 1 0 0 0\n 5 10 1 0 0 0\n 11 6 1 0 0 0\n 7 5 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl91\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[5-3-1]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 7.4699 -5.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9044 -6.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8921 -6.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7678 -6.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5569 -5.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3072 -5.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4607 -5.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1456 -5.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8448 -6.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7887 -6.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7825 -4.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 5 1 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 4 1 0 0 0\n 5 11 1 0 0 0\n 4 11 1 0 0 0\n 2 1 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl92\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nBicyclo[4-4-2]dodecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 13 0 0 0 999 V2000\n 7.9693 -5.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0472 -5.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2754 -6.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4140 -6.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3360 -6.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1138 -5.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1109 -4.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1806 -5.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4028 -6.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4808 -6.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0361 -5.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3405 -4.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\n 10 9 1 0 0 0\n 5 10 1 0 0 0\n 11 6 1 0 0 0\n 12 5 1 0 0 0\n 12 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl93\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-4-2]dodecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 13 0 0 0 999 V2000\n 6.8935 -6.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6766 -5.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9121 -6.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0877 -6.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0396 -6.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8103 -5.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8078 -4.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7709 -5.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1734 -6.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2215 -6.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9457 -6.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0429 -5.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\n 10 9 1 0 0 0\n 5 10 1 0 0 0\n 11 6 1 0 0 0\n 12 5 1 0 0 0\n 12 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl94\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-4-2]dodecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 13 0 0 0 999 V2000\n 6.5042 -6.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8305 -7.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0721 -7.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7035 -7.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6802 -6.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4449 -6.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4449 -4.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4564 -6.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8695 -6.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8927 -6.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6100 -6.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6889 -5.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\n 10 9 1 0 0 0\n 5 10 1 0 0 0\n 11 6 1 0 0 0\n 12 5 1 0 0 0\n 12 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl95\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[5-3-2]dodecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 13 0 0 0 999 V2000\n 7.9640 -5.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3691 -6.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4082 -6.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3295 -6.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0216 -5.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8969 -5.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1103 -5.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8309 -6.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5145 -6.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4035 -6.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0255 -4.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3287 -5.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 5 1 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 4 1 0 0 0\n 2 1 1 0 0 0\n 11 5 1 0 0 0\n 12 4 1 0 0 0\n 11 12 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl96\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nBicyclo[5-4-1]dodecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 13 0 0 0 999 V2000\n 7.7173 -5.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8210 -5.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0428 -6.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1495 -6.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0457 -5.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8297 -5.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5976 -4.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7781 -5.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4790 -5.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1712 -6.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0905 -6.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0605 -4.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 5 1 0 0 0\n 6 12 1 0 0 0\n 5 12 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl97\n\n> <atomid>\n8\n\n> <bondid>\n7\n\n$$$$\nBicyclo[5-3-3]tridecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 14 0 0 0 999 V2000\n 8.4981 -5.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2280 -4.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0887 -4.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2012 -4.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4418 -5.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8730 -6.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7468 -5.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9461 -5.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4646 -4.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5590 -4.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1539 -5.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8112 -6.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5669 -6.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0\n 4 3 1 0 0 0\n 2 4 1 0 0 0\n 5 6 1 0 0 0\n 7 1 1 0 0 0\n 8 7 1 0 0 0\n 8 6 1 0 0 0\n 1 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 0 0 0\n 12 13 1 0 0 0\n 13 5 1 0 0 0\n 3 5 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl98\n\n> <atomid>\n10\n\n> <bondid>\n9\n\n$$$$\nBicyclo[5-4-2]tridecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 14 0 0 0 999 V2000\n 7.4687 -5.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5107 -5.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7478 -6.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9306 -6.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8885 -6.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6576 -5.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4784 -5.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7402 -5.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4893 -5.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1604 -6.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0052 -6.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6549 -4.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8882 -5.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 5 1 0 0 0\n 12 6 1 0 0 0\n 13 5 1 0 0 0\n 13 12 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl99\n\n> <atomid>\n8\n\n> <bondid>\n7\n\n$$$$\nBicyclo[5-5-1]tridecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 14 0 0 0 999 V2000\n 7.5850 -5.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5169 -6.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6632 -7.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8369 -7.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7693 -6.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5517 -6.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3258 -5.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5160 -5.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2226 -6.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9123 -6.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8227 -7.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7845 -5.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0774 -6.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 5 1 0 0 0\n 6 12 1 0 0 0\n 5 12 1 0 0 0\n 13 3 1 0 0 0\n 13 2 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <prerender>\nlibrary.svg#tmpl100\n\n> <atomid>\n8\n\n> <bondid>\n6\n\n$$$$\nAdamantane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 12 0 0 0 999 V2000\n 7.5634 -6.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4530 -6.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4530 -5.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9968 -4.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1070 -4.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1070 -5.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9968 -6.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8866 -5.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3428 -6.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8866 -4.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 4 10 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 2 9 1 0 0 0\n 1 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 5 6 1 0 0 0\n 8 10 1 0 0 0\n 2 3 1 0 0 0\nM END\n> <group>\nBridged Polycyclics\n\n> <prerender>\nlibrary.svg#tmpl101\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nCubane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 12 0 0 0 999 V2000\n 7.9520 -5.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6899 -4.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6650 -6.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9597 -6.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9872 -5.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2488 -5.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4012 -5.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6964 -6.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0\n 3 1 1 0 0 0\n 1 6 1 0 0 0\n 2 5 1 0 0 0\n 7 2 1 0 0 0\n 3 4 1 0 0 0\n 7 3 1 0 0 0\n 4 6 1 0 0 0\n 8 4 1 0 0 0\n 5 6 1 0 0 0\n 8 5 1 0 0 0\n 8 7 1 0 0 0\nM END\n> <group>\nBridged Polycyclics\n\n> <prerender>\nlibrary.svg#tmpl102\n\n> <atomid>\n7\n\n> <bondid>\n11\n\n$$$$\nPrismane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 9 0 0 0 999 V2000\n 7.7612 -4.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0907 -4.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1698 -4.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1678 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0887 -5.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7593 -5.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0\n 3 1 1 0 0 0\n 3 2 1 0 0 0\n 4 5 1 0 0 0\n 4 6 1 0 0 0\n 5 6 1 0 0 0\n 1 6 1 0 0 0\n 3 4 1 0 0 0\n 2 5 1 0 0 0\nM END\n> <group>\nBridged Polycyclics\n\n> <prerender>\nlibrary.svg#tmpl103\n\n> <atomid>\n3\n\n> <bondid>\n7\n\n$$$$\nTwistane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 12 0 0 0 999 V2000\n 10.9227 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6642 -4.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5688 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8274 -4.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7871 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5284 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6238 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8825 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7835 -5.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6165 -5.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0\n 2 4 1 0 0 0\n 3 4 1 0 0 0\n 5 6 1 0 0 0\n 7 5 1 0 0 0\n 8 7 1 0 0 0\n 9 3 1 0 0 0\n 9 6 1 0 0 0\n 10 1 1 0 0 0\n 10 8 1 0 0 0\n 1 6 1 0 0 0\n 3 8 1 0 0 0\nM END\n> <group>\nBridged Polycyclics\n\n> <prerender>\nlibrary.svg#tmpl104\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\n12-Crown-4\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 0 0 999 V2000\n 9.6950 -4.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6961 -3.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7230 -3.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4895 -2.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4888 -2.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2724 -3.7946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3039 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3039 -5.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2718 -5.2624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4935 -6.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4934 -6.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7126 -5.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 0 0 0\n 12 1 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <prerender>\nlibrary.svg#tmpl105\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\n13-Crown-4\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 13 0 0 0 999 V2000\n 6.2108 -5.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2098 -4.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1789 -6.0710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1735 -4.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3479 -7.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3527 -3.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3428 -7.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3459 -3.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7617 -6.1569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7571 -4.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7493 -6.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7528 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2902 -5.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 13 1 0 0 0\n 1 2 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <prerender>\nlibrary.svg#tmpl106\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\n14-Crown-4\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 14 0 0 0 999 V2000\n 11.4453 -5.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9013 -4.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9150 -5.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9132 -4.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9274 -5.8351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5059 -3.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5286 -6.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4978 -3.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5308 -6.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1114 -4.4181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1336 -5.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1388 -4.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1473 -5.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6047 -5.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 14 1 0 0 0\n 13 14 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <prerender>\nlibrary.svg#tmpl107\n\n$$$$\n15-Crown-5\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 15 15 0 0 0 999 V2000\n 9.3051 -3.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1168 -4.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4997 -4.1934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8472 -5.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6861 -3.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6483 -5.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8859 -4.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3419 -6.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1594 -5.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3292 -6.7279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3517 -5.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0217 -7.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6728 -6.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0073 -7.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6647 -6.7239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 14 1 0 0 0\n 13 15 1 0 0 0\n 14 15 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <prerender>\nlibrary.svg#tmpl108\n\n$$$$\n16-Crown-5\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 16 16 0 0 0 999 V2000\n 10.1579 -7.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3604 -8.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8558 -7.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5517 -7.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6502 -6.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7522 -8.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4079 -5.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9519 -7.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3921 -5.2815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2224 -7.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3715 -4.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3998 -6.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4688 -3.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5949 -5.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5786 -4.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5857 -5.2815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 14 1 0 0 0\n 13 15 1 0 0 0\n 14 16 1 0 0 0\n 15 16 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <prerender>\nlibrary.svg#tmpl109\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\n17-Crown-5\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 0 0 999 V2000\n 11.0779 -6.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1260 -6.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2569 -7.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4815 -7.2799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7011 -7.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8165 -7.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8151 -6.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8549 -6.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6443 -5.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4333 -4.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3911 -5.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9204 -4.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9543 -4.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4969 -5.0788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4504 -4.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2557 -5.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1487 -7.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 6 7 1 0 0 0\n 11 12 1 0 0 0\n 12 13 1 0 0 0\n 13 14 1 0 0 0\n 10 11 1 0 0 0\n 15 16 1 0 0 0\n 14 15 1 0 0 0\n 16 1 1 0 0 0\n 2 17 1 0 0 0\n 17 3 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <prerender>\nlibrary.svg#tmpl110\n\n$$$$\n18-Crown-6\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 12.0989 -6.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0984 -7.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1742 -7.8983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2561 -8.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3671 -9.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5542 -8.7612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7470 -9.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8655 -8.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9673 -7.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0511 -7.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0591 -6.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9807 -6.1495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8891 -5.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7538 -4.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5585 -5.2838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3625 -4.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2539 -5.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1740 -6.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 3 4 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 7 8 1 0 0 0\n 12 13 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 11 12 1 0 0 0\n 16 17 1 0 0 0\n 17 18 1 0 0 0\n 15 16 1 0 0 0\n 1 18 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <prerender>\nlibrary.svg#tmpl111\n\n$$$$\n20-Crown-6\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 20 20 0 0 0 999 V2000\n 12.9696 -6.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4562 -7.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4568 -5.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4567 -7.5264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4506 -5.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2686 -8.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2545 -4.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3166 -8.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3019 -4.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5590 -8.1616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5486 -5.2850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7892 -4.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8656 -8.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8443 -4.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6577 -7.5325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6557 -5.9166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6451 -7.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6382 -5.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1304 -6.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8033 -8.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 11 12 1 0 0 0\n 13 15 1 0 0 0\n 14 16 1 0 0 0\n 15 17 1 0 0 0\n 16 18 1 0 0 0\n 17 19 1 0 0 0\n 18 19 1 0 0 0\n 12 14 1 0 0 0\n 13 20 1 0 0 0\n 10 20 1 0 0 0\n 3 1 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <prerender>\nlibrary.svg#tmpl112\n\n$$$$\n21-Crown-7\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 21 21 0 0 0 999 V2000\n 9.2476 -4.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3448 -4.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3272 -5.5163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3374 -5.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0975 -6.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8706 -7.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4253 -8.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0491 -8.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0215 -8.7675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4631 -9.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4605 -9.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8988 -8.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8812 -8.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5114 -8.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7121 -4.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8084 -4.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0256 -4.7163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1044 -7.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7139 -5.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9025 -6.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6937 -5.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 3 4 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 7 8 1 0 0 0\n 12 13 1 0 0 0\n 13 14 1 0 0 0\n 11 12 1 0 0 0\n 15 16 1 0 0 0\n 16 17 1 0 0 0\n 1 17 1 0 0 0\n 14 18 1 0 0 0\n 19 15 1 0 0 0\n 18 20 1 0 0 0\n 19 21 1 0 0 0\n 20 21 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <prerender>\nlibrary.svg#tmpl113\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\n24-Crown-8\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 24 24 0 0 0 999 V2000\n 9.0714 -9.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5688 -8.6839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0589 -9.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5317 -9.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5767 -8.6753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2612 -8.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6218 -8.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9970 -7.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9000 -8.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8824 -6.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1947 -7.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8855 -5.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3145 -6.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0044 -5.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3384 -5.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2885 -4.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2280 -5.3744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5636 -3.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9695 -4.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6083 -4.1102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7013 -3.7643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1273 -3.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6397 -4.1023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1264 -3.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 14 1 0 0 0\n 13 15 1 0 0 0\n 14 16 1 0 0 0\n 15 17 1 0 0 0\n 16 18 1 0 0 0\n 17 19 1 0 0 0\n 18 20 1 0 0 0\n 19 21 1 0 0 0\n 20 22 1 0 0 0\n 21 23 1 0 0 0\n 22 24 1 0 0 0\n 23 24 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <prerender>\nlibrary.svg#tmpl114\n\n$$$$\n27-Crown-9\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 27 27 0 0 0 999 V2000\n 12.8715 -5.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4227 -6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3172 -4.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2176 -6.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3116 -4.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0558 -7.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0873 -3.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1143 -8.2518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2476 -9.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3689 -4.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6009 -3.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1290 -3.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5183 -9.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6486 -3.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9884 -10.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4426 -9.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4301 -4.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9807 -10.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4253 -4.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4473 -9.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8996 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5287 -9.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3912 -6.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7155 -9.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6324 -7.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8191 -8.2642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8489 -7.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 8 9 1 0 0 0\n 10 11 1 0 0 0\n 10 12 1 0 0 0\n 11 14 1 0 0 0\n 13 15 1 0 0 0\n 13 16 1 0 0 0\n 14 17 1 0 0 0\n 15 18 1 0 0 0\n 17 19 1 0 0 0\n 18 20 1 0 0 0\n 19 21 1 0 0 0\n 20 22 1 0 0 0\n 21 23 1 0 0 0\n 22 24 1 0 0 0\n 23 25 1 0 0 0\n 24 26 1 0 0 0\n 26 27 1 0 0 0\n 12 7 1 0 0 0\n 9 16 1 0 0 0\n 27 25 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <prerender>\nlibrary.svg#tmpl115\n\n$$$$\n30-Crown-10\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 30 30 0 0 0 999 V2000\n 10.5968 -3.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5443 -3.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8344 -4.1370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7938 -4.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1029 -3.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7946 -4.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1487 -3.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4230 -5.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8987 -4.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0643 -6.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9078 -4.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9365 -6.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3013 -5.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9385 -7.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6787 -6.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0639 -8.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8115 -6.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4322 -9.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8115 -7.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8108 -10.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6722 -8.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8119 -9.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2940 -9.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5637 -10.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8989 -9.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5955 -11.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9003 -9.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1417 -10.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0967 -11.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8494 -10.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 4 6 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 14 1 0 0 0\n 14 16 1 0 0 0\n 15 17 1 0 0 0\n 16 18 1 0 0 0\n 17 19 1 0 0 0\n 19 21 1 0 0 0\n 20 22 1 0 0 0\n 21 23 1 0 0 0\n 22 24 1 0 0 0\n 23 25 1 0 0 0\n 24 26 1 0 0 0\n 27 28 1 0 0 0\n 29 30 1 0 0 0\n 5 7 1 0 0 0\n 18 20 1 0 0 0\n 25 27 1 0 0 0\n 28 29 1 0 0 0\n 26 30 1 0 0 0\n 15 13 1 0 0 0\n 5 3 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <prerender>\nlibrary.svg#tmpl116\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nALA-D-Alanine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 5 0 1 0 999 V2000\n 13.6701 -6.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6701 -5.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8003 -5.3251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5335 -5.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5335 -4.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3999 -5.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 1 0 0\n 2 4 1 0 0 0\n 4 5 2 0 0 0\n 4 6 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl117\n\n> <atomid>\n2\n\n> <bondid>\n0\n\n$$$$\nARG-D-Arginine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n 12.0694 -4.2443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7765 -4.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5148 -5.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5506 -6.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2934 -7.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3248 -7.4032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0676 -8.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1033 -8.6246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7747 -9.0745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7407 -4.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0024 -3.7255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4467 -5.4025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 10 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 7 9 2 0 0 0\n 10 11 2 0 0 0\n 10 12 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl118\n\n> <atomid>\n0\n\n> <bondid>\n7\n\n$$$$\nASN-D-Asparagine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 10.8319 -5.4762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6977 -5.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6989 -6.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8342 -7.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8321 -8.4753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9683 -6.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5657 -5.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5645 -4.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4317 -5.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 7 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 4 6 2 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl119\n\n> <atomid>\n0\n\n> <bondid>\n4\n\n$$$$\nASP-D-Aspartic acid\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 10.7814 -5.6761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6474 -6.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6486 -7.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7839 -7.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7818 -8.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9179 -7.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5154 -5.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5142 -4.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3821 -6.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 7 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 4 6 2 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl120\n\n> <atomid>\n0\n\n> <bondid>\n4\n\n$$$$\nCYS-D-Cysteine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 6 0 1 0 999 V2000\n 6.9511 -4.7004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8205 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8205 -6.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9511 -6.6987 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6834 -4.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6834 -3.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5489 -5.1995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 5 1 0 0 0\n 3 4 1 0 0 0\n 5 6 2 0 0 0\n 5 7 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl121\n\n> <atomid>\n0\n\n> <bondid>\n3\n\n$$$$\nGLN-D-Glutamine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n 11.1341 -5.3758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0002 -5.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0015 -6.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1332 -7.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1344 -8.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2695 -8.8736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0006 -8.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8652 -5.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8673 -4.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7305 -5.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 8 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 5 7 2 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl122\n\n> <atomid>\n0\n\n> <bondid>\n5\n\n$$$$\nGLU-D-Glutamic acid\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n 11.4591 -5.3259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3252 -5.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3265 -6.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4582 -7.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4594 -8.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5945 -8.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3256 -8.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1902 -5.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1923 -4.3243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0555 -5.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 8 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 5 7 2 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl123\n\n> <atomid>\n0\n\n> <bondid>\n5\n\n$$$$\nGLY-Glycine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 4 0 0 0 999 V2000\n 10.6670 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5331 -6.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8010 -6.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3990 -7.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5331 -5.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 2 5 2 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl124\n\n> <atomid>\n2\n\n> <bondid>\n1\n\n$$$$\nHIS-D-Histidine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 11 0 1 0 999 V2000\n 11.4910 -6.5739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3584 -7.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3572 -8.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4919 -8.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3861 -9.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4100 -9.7753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9104 -8.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5750 -8.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2237 -6.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2217 -5.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0896 -7.0762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 9 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 4 8 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 2 0 0 0\n 9 10 2 0 0 0\n 9 11 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl125\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nILE-D-Isoleucine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 11.8001 -9.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8020 -8.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6668 -8.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5327 -8.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6656 -7.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7997 -6.8261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5336 -6.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5324 -5.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4003 -7.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 6 0 0\n 3 5 1 0 0 0\n 5 6 1 1 0 0\n 5 7 1 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl126\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nLEU-D-Leucine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 12.2568 -9.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2588 -8.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3929 -7.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1235 -7.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1224 -6.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2564 -6.3511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9903 -6.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9891 -5.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8571 -6.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 2 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 1 0 0\n 5 7 1 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl127\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nLYS-D-Lysine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n 10.6692 -9.3254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6712 -8.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5358 -7.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5346 -6.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4025 -6.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4013 -5.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5355 -4.8257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2659 -4.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2679 -3.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1308 -5.3291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 1 0 0\n 6 8 1 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl128\n\n> <atomid>\n6\n\n> <bondid>\n0\n\n$$$$\nMET-D-Methionine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 11.6195 -9.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4844 -9.3267 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4832 -8.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3515 -7.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3502 -6.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4841 -6.3270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2152 -6.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2173 -5.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0805 -6.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 1 0 0\n 5 7 1 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl129\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nPHE-D-Phenylalanine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 11 0 1 0 999 V2000\n 12.5510 -6.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4169 -6.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2830 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2830 -5.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1490 -6.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4169 -7.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5510 -8.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5510 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4169 -9.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2830 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2830 -8.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 6 1 0 0 0\n 3 4 2 0 0 0\n 3 5 1 0 0 0\n 6 7 1 0 0 0\n 6 11 2 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl130\n\n> <atomid>\n0\n\n> <bondid>\n4\n\n$$$$\nPRO-D-Proline\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 1 0 999 V2000\n 10.6969 -1.7001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6956 -2.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8298 -3.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7240 -4.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7473 -4.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2474 -3.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9124 -2.7903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4026 -3.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 3 2 1 1 0 0\n 2 8 1 0 0 0\n 3 4 1 0 0 0\n 3 7 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl131\n\n> <atomid>\n6\n\n> <bondid>\n2\n\n$$$$\nSER-D-Serine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 6 0 1 0 999 V2000\n 10.3261 -6.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1955 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1955 -8.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3261 -8.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0584 -6.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0584 -5.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9239 -7.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 5 1 0 0 0\n 3 4 1 0 0 0\n 5 6 2 0 0 0\n 5 7 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl132\n\n> <atomid>\n0\n\n> <bondid>\n3\n\n$$$$\nTHR-D-Threonine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n 11.5255 -8.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3953 -7.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2586 -8.1243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3953 -6.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5255 -6.1252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2586 -6.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2586 -5.1257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1245 -6.6245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 1 0 0\n 2 4 1 0 0 0\n 4 5 1 1 0 0\n 4 6 1 0 0 0\n 6 7 2 0 0 0\n 6 8 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl133\n\n> <atomid>\n4\n\n> <bondid>\n0\n\n$$$$\nTRP-D-Tryptophan\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 15 16 0 1 0 999 V2000\n 11.9929 -5.3065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8877 -5.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9408 -6.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0974 -7.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1680 -6.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5350 -7.7214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0834 -8.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0497 -8.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7565 -9.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4968 -9.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5306 -10.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8239 -9.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7230 -5.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6717 -4.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6150 -5.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 13 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 4 8 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 2 0 0 0\n 7 12 1 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\n 11 12 2 0 0 0\n 13 14 2 0 0 0\n 13 15 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl134\n\n> <atomid>\n0\n\n> <bondid>\n15\n\n$$$$\nTYR-D-Tyrosine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 13 0 1 0 999 V2000\n 12.5019 -5.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3670 -6.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3658 -7.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4995 -7.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5016 -8.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6354 -9.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7671 -8.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9008 -9.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7683 -7.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6344 -7.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2333 -5.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2344 -4.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0992 -6.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 11 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 4 10 1 0 0 0\n 5 6 1 0 0 0\n 6 7 2 0 0 0\n 7 8 1 0 0 0\n 7 9 1 0 0 0\n 9 10 2 0 0 0\n 11 12 2 0 0 0\n 11 13 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl135\n\n> <atomid>\n0\n\n> <bondid>\n8\n\n$$$$\nVAL-D-Valine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n 10.8255 -8.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6953 -8.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5586 -8.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6953 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8255 -6.9502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5586 -6.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5586 -5.9506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4245 -7.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 2 4 1 0 0 0\n 4 5 1 1 0 0\n 4 6 1 0 0 0\n 6 7 2 0 0 0\n 6 8 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl136\n\n> <atomid>\n4\n\n> <bondid>\n0\n\n$$$$\nD-Allose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.4194 -1.6883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9924 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4387 -0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0204 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4629 0.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0221 1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4407 1.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1127 2.6517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2718 1.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2093 0.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2702 0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1849 -0.4782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 6 0 0\n 5 10 1 1 0 0\n 4 11 1 6 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <prerender>\nlibrary.svg#tmpl137\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Altrose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.4516 -1.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0245 -0.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4709 -0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0525 0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4950 1.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0501 1.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4729 2.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1448 3.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3040 1.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2414 1.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3024 0.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2171 -0.0873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 1 0 0\n 5 10 1 1 0 0\n 4 11 1 6 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <prerender>\nlibrary.svg#tmpl138\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Arabinose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n -3.8949 -0.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4593 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8995 1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4675 1.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9005 2.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4667 2.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4723 -0.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7192 1.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6437 1.1253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7111 0.4839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 1 7 1 0 0 0\n 4 8 1 1 0 0\n 3 9 1 1 0 0\n 2 10 1 6 0 0\nM END\n> <group>\nD-Sugars\n\n> <prerender>\nlibrary.svg#tmpl139\n\n> <atomid>\n6\n\n> <bondid>\n5\n\n$$$$\nD-Erythrose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n -4.1906 0.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7523 0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1844 1.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7532 1.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1786 2.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7458 3.0700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0034 1.8545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9299 1.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 4 7 1 6 0 0\n 3 8 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <prerender>\nlibrary.svg#tmpl140\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Erythrulose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n -4.1896 2.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7907 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2449 0.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8481 0.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7539 2.6818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0537 1.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9812 0.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3557 -0.3786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 1 5 1 0 0 0\n 2 6 2 0 0 0\n 3 7 1 1 0 0\n 8 4 1 0 0 0\nM END\n> <group>\nD-Sugars\n\n> <prerender>\nlibrary.svg#tmpl141\n\n> <atomid>\n4\n\n> <bondid>\n3\n\n$$$$\nD-Fructose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.1480 1.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5728 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1297 0.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5540 0.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1105 -0.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5532 -1.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1339 -1.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5796 2.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3170 1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3814 0.7735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2979 0.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3622 -0.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 1 8 1 0 0 0\n 2 9 2 0 0 0\n 3 10 1 1 0 0\n 4 11 1 1 0 0\n 5 12 1 6 0 0\nM END\n> <group>\nD-Sugars\n\n> <prerender>\nlibrary.svg#tmpl142\n\n> <atomid>\n7\n\n> <bondid>\n6\n\n$$$$\nD-Galactose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.8880 -0.9644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4609 -0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9072 0.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4890 0.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9315 1.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4907 2.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9093 2.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5812 3.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7403 2.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6779 1.4898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7387 0.9075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6535 0.2459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 6 0 0\n 5 10 1 6 0 0\n 4 11 1 1 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <prerender>\nlibrary.svg#tmpl143\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Glucose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.5186 -1.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9457 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4995 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9178 0.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4754 1.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9163 1.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4978 2.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8217 3.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6624 1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7249 1.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6639 0.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7491 -0.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 1 0 0\n 5 10 1 1 0 0\n 4 11 1 1 0 0\n 3 12 1 6 0 0\nM END\n> <group>\nD-Sugars\n\n> <prerender>\nlibrary.svg#tmpl144\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Gulose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -4.3047 -1.0894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8775 -0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3239 0.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9056 0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3481 1.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9073 1.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3260 2.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9978 3.2523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1570 1.9418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0945 1.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1554 0.7825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0702 0.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 6 0 0\n 5 10 1 1 0 0\n 4 11 1 1 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <prerender>\nlibrary.svg#tmpl145\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Idose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.7380 -1.2977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3109 -0.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7572 -0.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3390 0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7815 1.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3407 1.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7593 2.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4312 3.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5903 1.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5279 1.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5887 0.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5035 -0.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 1 0 0\n 5 10 1 1 0 0\n 4 11 1 1 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <prerender>\nlibrary.svg#tmpl146\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Lyxose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n -3.9033 0.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3348 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8987 1.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3307 2.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8977 2.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3273 3.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3259 -0.2571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0749 2.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1504 1.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0829 0.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 1 7 1 0 0 0\n 4 8 1 6 0 0\n 3 9 1 1 0 0\n 2 10 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <prerender>\nlibrary.svg#tmpl147\n\n> <atomid>\n6\n\n> <bondid>\n5\n\n$$$$\nD-Mannose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.9005 -1.2560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4734 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9197 -0.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5015 0.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9440 1.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5032 1.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9218 2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5937 3.0856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7528 1.7751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6904 1.1981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7512 0.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6660 -0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 1 0 0\n 5 10 1 6 0 0\n 4 11 1 6 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <prerender>\nlibrary.svg#tmpl148\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Psicose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -4.1455 2.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7122 2.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1459 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7164 0.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1511 0.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6999 -0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1099 -0.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7230 3.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9598 2.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8942 1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9639 0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8992 0.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 1 8 1 0 0 0\n 2 9 2 0 0 0\n 3 10 1 1 0 0\n 4 11 1 6 0 0\n 5 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <prerender>\nlibrary.svg#tmpl149\n\n> <atomid>\n7\n\n> <bondid>\n6\n\n$$$$\nD-Ribose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n -3.4471 -0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8828 0.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4426 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8747 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4417 2.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8713 2.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8696 -0.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6188 1.6686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6943 1.0421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6268 0.4006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 1 7 1 0 0 0\n 4 8 1 1 0 0\n 3 9 1 6 0 0\n 2 10 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <prerender>\nlibrary.svg#tmpl150\n\n> <atomid>\n6\n\n> <bondid>\n5\n\n$$$$\nD-Ribulose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n -3.1689 -0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6004 0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1643 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5963 1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1633 1.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5929 2.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4160 0.6794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5914 -1.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3485 0.0380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3252 1.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 3 7 1 6 0 0\n 1 8 1 0 0 0\n 2 9 1 1 0 0\n 4 10 2 0 0 0\nM END\n> <group>\nD-Sugars\n\n> <prerender>\nlibrary.svg#tmpl151\n\n> <atomid>\n7\n\n> <bondid>\n6\n\n$$$$\nD-Sorbose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.8077 2.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3743 1.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8123 1.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3785 0.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8133 -0.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3620 -0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7721 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3851 3.0166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6219 1.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5564 1.1791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6301 0.5499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5573 -0.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 1 8 1 0 0 0\n 2 9 2 0 0 0\n 3 10 1 1 0 0\n 4 11 1 1 0 0\n 5 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <prerender>\nlibrary.svg#tmpl152\n\n> <atomid>\n7\n\n> <bondid>\n6\n\n$$$$\nD-Tagatose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -5.3565 3.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7786 2.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3570 1.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7842 0.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3640 -0.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7622 -0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3090 -1.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7930 4.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7752 2.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3552 1.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7806 0.7334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3619 -0.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 1 8 1 0 0 0\n 2 9 2 0 0 0\n 3 10 1 6 0 0\n 4 11 1 1 0 0\n 5 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <prerender>\nlibrary.svg#tmpl153\n\n> <atomid>\n7\n\n> <bondid>\n6\n\n$$$$\nD-Talose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -4.0547 -0.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6275 -0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0739 0.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6556 1.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0981 1.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6573 2.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0760 2.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7478 3.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9070 2.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8445 1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9054 1.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8202 0.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 1 0 0\n 5 10 1 6 0 0\n 4 11 1 1 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <prerender>\nlibrary.svg#tmpl154\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Threose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n -4.7339 0.2599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3006 0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7343 1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3045 2.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7353 2.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3079 3.3192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5548 2.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.4800 1.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 4 7 1 1 0 0\n 3 8 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <prerender>\nlibrary.svg#tmpl155\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Xylose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n -3.7801 -0.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2157 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7755 1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2075 1.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7745 2.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2083 2.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2027 -0.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9517 1.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0272 1.1253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9597 0.4839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 1 7 1 0 0 0\n 4 8 1 1 0 0\n 3 9 1 1 0 0\n 2 10 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <prerender>\nlibrary.svg#tmpl156\n\n> <atomid>\n6\n\n> <bondid>\n5\n\n$$$$\nD-Xylulose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n -2.9398 -0.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3754 0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9352 0.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3672 1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9342 2.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3638 2.7737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1827 0.9336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3623 -0.9196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1235 0.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1002 1.5539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 3 7 1 1 0 0\n 1 8 1 0 0 0\n 2 9 1 1 0 0\n 4 10 2 0 0 0\nM END\n> <group>\nD-Sugars\n\n> <prerender>\nlibrary.svg#tmpl157\n\n> <atomid>\n7\n\n> <bondid>\n6\n\n$$$$\n1_2_3-Oxadiazole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl158\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nDioxane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 4.2090 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2090 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -4.7018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -3.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl159\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nFuran\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl160\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nImidazole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl161\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nIndole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 6.3344 -5.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7641 -5.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0506 -5.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7641 -6.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3344 -6.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0524 -7.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4800 -7.2028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1974 -6.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1974 -5.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\n 8 9 2 0 0 0\n 7 8 1 0 0 0\n 2 9 1 0 0 0\n 4 7 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl162\n\n> <atomid>\n6\n\n> <bondid>\n6\n\n$$$$\nIsoquinoline\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 7.2094 -5.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6391 -5.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9256 -5.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6391 -6.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2094 -6.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9274 -6.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3533 -5.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0698 -5.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3584 -6.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0717 -6.5353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 2 4 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\n 8 7 2 0 0 0\n 9 10 2 0 0 0\n 10 8 1 0 0 0\n 4 9 1 0 0 0\n 2 7 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl163\n\n> <atomid>\n8\n\n> <bondid>\n0\n\n$$$$\nIsoxazole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl164\n\n> <atomid>\n2\n\n> <bondid>\n0\n\n$$$$\nMorpholine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 4.2090 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2090 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -4.7018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -3.0482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl165\n\n> <atomid>\n5\n\n> <bondid>\n1\n\n$$$$\nOxazole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl166\n\n> <atomid>\n4\n\n> <bondid>\n0\n\n$$$$\nPiperazine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 4.2090 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2090 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -4.7018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -3.0482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl167\n\n> <atomid>\n5\n\n> <bondid>\n1\n\n$$$$\nPiperidine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 3.0000 -9.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -10.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7160 -10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4320 -10.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4320 -9.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7160 -9.0964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl168\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nPurine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 6.3344 -5.9612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7641 -5.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0506 -5.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7641 -6.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3344 -6.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0524 -7.2005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4800 -7.2028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1974 -6.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1974 -5.9608 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\n 8 9 2 0 0 0\n 7 8 1 0 0 0\n 2 9 1 0 0 0\n 4 7 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl169\n\n> <atomid>\n6\n\n> <bondid>\n7\n\n$$$$\nPyran\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 4.2090 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2090 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -4.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -3.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl170\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nPyrazine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 6.4094 -4.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1256 -3.6230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4094 -4.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1274 -5.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl171\n\n> <atomid>\n0\n\n> <bondid>\n2\n\n$$$$\nPyrazol\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl172\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nPyridazine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 6.4094 -4.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1256 -3.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4094 -4.8665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1274 -5.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl173\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nPyridine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 6.4094 -4.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1256 -3.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4094 -4.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1274 -5.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl174\n\n> <atomid>\n3\n\n> <bondid>\n1\n\n$$$$\nPyridone\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 7 0 0 0 999 V2000\n 5.2590 -5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2590 -5.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9750 -6.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6910 -5.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6910 -5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9750 -4.5982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5430 -4.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 6 1 0 0 0\n 1 7 2 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl175\n\n> <atomid>\n5\n\n> <bondid>\n5\n\n$$$$\nPyrimidine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 6.4094 -4.0362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1256 -3.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4094 -4.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1274 -5.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl176\n\n> <atomid>\n4\n\n> <bondid>\n1\n\n$$$$\nPyrole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 3.6685 -10.0843 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -9.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2553 -8.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0817 -8.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3370 -9.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl177\n\n$$$$\nPyrone\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 7 0 0 0 999 V2000\n 5.2590 -5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2590 -5.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9750 -6.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6910 -5.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6910 -5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9750 -4.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5430 -4.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 6 1 0 0 0\n 1 7 2 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl178\n\n> <atomid>\n4\n\n> <bondid>\n4\n\n$$$$\nPyrrolidine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 3.7210 -3.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3632 -3.3980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0779 -3.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8532 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0171 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl179\n\n> <atomid>\n1\n\n> <bondid>\n2\n\n$$$$\nQuinoline\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 7.2094 -5.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6391 -5.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9256 -5.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6391 -6.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2094 -6.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9274 -6.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3533 -5.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0698 -5.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3584 -6.9529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0717 -6.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 2 4 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\n 8 7 2 0 0 0\n 9 10 2 0 0 0\n 10 8 1 0 0 0\n 4 9 1 0 0 0\n 2 7 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl180\n\n> <atomid>\n9\n\n> <bondid>\n8\n\n$$$$\nTetrahydrofuran\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 3.7210 -3.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3632 -3.3980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0779 -3.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8532 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0171 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl181\n\n> <atomid>\n2\n\n> <bondid>\n2\n\n$$$$\nTetrahydrothiophene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 3.7210 -3.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3632 -3.3980 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0779 -3.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8532 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0171 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl182\n\n> <atomid>\n2\n\n> <bondid>\n2\n\n$$$$\nTetrazole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl183\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nThiophene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl184\n\n> <atomid>\n4\n\n> <bondid>\n3\n\n$$$$\nTriazine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 6.4094 -4.0362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.0358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1256 -3.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4094 -4.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1274 -5.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl185\n\n> <atomid>\n3\n\n> <bondid>\n1\n\n$$$$\nTriazole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <prerender>\nlibrary.svg#tmpl186\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nALA-L-Alanine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 5 0 1 0 999 V2000\n 13.6700 -6.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6700 -5.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8002 -5.3251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5334 -5.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5334 -4.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3998 -5.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 6 0 0\n 2 4 1 0 0 0\n 4 5 2 0 0 0\n 4 6 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl187\n\n> <atomid>\n2\n\n> <bondid>\n0\n\n$$$$\nARG-L-Arginine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n 12.0694 -4.2443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7765 -4.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5148 -5.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5506 -6.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2934 -7.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3248 -7.4032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0676 -8.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1033 -8.6246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7747 -9.0745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7407 -4.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0024 -3.7255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4467 -5.4025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 10 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 7 9 2 0 0 0\n 10 11 2 0 0 0\n 10 12 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl188\n\n> <atomid>\n0\n\n> <bondid>\n7\n\n$$$$\nASN-L-Asparagine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 10.8319 -5.4762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6977 -5.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6989 -6.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8342 -7.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8321 -8.4753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9683 -6.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5657 -5.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5645 -4.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4317 -5.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 7 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 4 6 2 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl189\n\n> <atomid>\n0\n\n> <bondid>\n4\n\n$$$$\nASP-L-Aspartic acid\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 10.7814 -5.6761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6474 -6.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6486 -7.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7839 -7.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7818 -8.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9179 -7.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5154 -5.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5142 -4.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3821 -6.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 7 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 4 6 2 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl190\n\n> <atomid>\n0\n\n> <bondid>\n4\n\n$$$$\nCYS-L-Cysteine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 6 0 1 0 999 V2000\n 6.9511 -4.7004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8205 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8205 -6.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9511 -6.6987 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6834 -4.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6834 -3.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5489 -5.1995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 5 1 0 0 0\n 3 4 1 0 0 0\n 5 6 2 0 0 0\n 5 7 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl191\n\n> <atomid>\n0\n\n> <bondid>\n3\n\n$$$$\nGLN-L-Glutamine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n 11.1341 -5.3758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0002 -5.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0015 -6.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1332 -7.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1344 -8.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2695 -8.8736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0006 -8.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8652 -5.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8673 -4.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7305 -5.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 8 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 5 7 2 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl192\n\n> <atomid>\n0\n\n> <bondid>\n5\n\n$$$$\nGLU-L-Glutamic acid\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n 11.4591 -5.3259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3252 -5.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3265 -6.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4582 -7.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4594 -8.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5945 -8.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3256 -8.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1902 -5.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1923 -4.3243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0555 -5.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 8 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 5 7 2 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl193\n\n> <atomid>\n0\n\n> <bondid>\n5\n\n$$$$\nGLY-Glycine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 4 0 0 0 999 V2000\n 10.6670 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5331 -6.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8010 -6.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3990 -7.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5331 -5.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 2 5 2 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl194\n\n> <atomid>\n2\n\n> <bondid>\n1\n\n$$$$\nHIS-L-Histidine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 11 0 1 0 999 V2000\n 11.4910 -6.5739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3584 -7.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3572 -8.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4919 -8.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3861 -9.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4100 -9.7753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9104 -8.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5750 -8.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2237 -6.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2217 -5.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0896 -7.0762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 9 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 4 8 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 2 0 0 0\n 9 10 2 0 0 0\n 9 11 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl195\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nILE-L-Isoleucine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 11.8001 -9.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8020 -8.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6668 -8.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5327 -8.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6656 -7.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7997 -6.8261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5336 -6.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5324 -5.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4003 -7.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 1 0 0\n 3 5 1 0 0 0\n 5 6 1 6 0 0\n 5 7 1 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl196\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nLEU-L-Leucine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 12.2568 -9.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2588 -8.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3929 -7.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1235 -7.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1224 -6.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2564 -6.3511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9903 -6.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9891 -5.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8571 -6.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 2 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 6 0 0\n 5 7 1 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl197\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nLYS-L-Lysine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n 10.6692 -9.3254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6712 -8.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5358 -7.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5346 -6.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4025 -6.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4013 -5.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5355 -4.8257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2659 -4.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2679 -3.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1308 -5.3291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 6 0 0\n 6 8 1 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl198\n\n> <atomid>\n6\n\n> <bondid>\n0\n\n$$$$\nMET-L-Methionine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 11.6195 -9.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4844 -9.3267 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4832 -8.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3515 -7.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3502 -6.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4841 -6.3270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2152 -6.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2173 -5.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0805 -6.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 6 0 0\n 5 7 1 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl199\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nPHE-L-Phenylalanine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 11 0 1 0 999 V2000\n 12.5510 -6.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4169 -6.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2830 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2830 -5.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1490 -6.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4169 -7.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5510 -8.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5510 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4169 -9.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2830 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2830 -8.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 6 1 0 0 0\n 3 4 2 0 0 0\n 3 5 1 0 0 0\n 6 7 1 0 0 0\n 6 11 2 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl200\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nPRO-L-Proline\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 1 0 999 V2000\n 10.6969 -1.7001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6956 -2.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8298 -3.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7240 -4.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7473 -4.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2474 -3.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9124 -2.7903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4026 -3.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 3 2 1 6 0 0\n 2 8 1 0 0 0\n 3 4 1 0 0 0\n 3 7 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl201\n\n> <atomid>\n6\n\n> <bondid>\n2\n\n$$$$\nSER-L-Serine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 6 0 1 0 999 V2000\n 10.3261 -6.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1955 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1955 -8.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3261 -8.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0584 -6.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0584 -5.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9239 -7.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 5 1 0 0 0\n 3 4 1 0 0 0\n 5 6 2 0 0 0\n 5 7 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl202\n\n> <atomid>\n0\n\n> <bondid>\n3\n\n$$$$\nTHR-L-Threonine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n 11.5255 -8.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3953 -7.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2586 -8.1243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3953 -6.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5255 -6.1252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2586 -6.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2586 -5.1257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1245 -6.6245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 6 0 0\n 2 4 1 0 0 0\n 4 5 1 6 0 0\n 4 6 1 0 0 0\n 6 7 2 0 0 0\n 6 8 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl203\n\n> <atomid>\n4\n\n> <bondid>\n0\n\n$$$$\nTRP-L-Tryptophan\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 15 16 0 1 0 999 V2000\n 11.9929 -5.3065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8877 -5.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9408 -6.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0974 -7.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1680 -6.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5350 -7.7214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0834 -8.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0497 -8.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7565 -9.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4968 -9.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5306 -10.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8239 -9.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7230 -5.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6717 -4.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6150 -5.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 13 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 4 8 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 2 0 0 0\n 7 12 1 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\n 11 12 2 0 0 0\n 13 14 2 0 0 0\n 13 15 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl204\n\n> <atomid>\n0\n\n> <bondid>\n15\n\n$$$$\nTYR-L-Tyrosine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 13 0 1 0 999 V2000\n 12.5019 -5.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3670 -6.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3658 -7.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4995 -7.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5016 -8.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6354 -9.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7671 -8.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9008 -9.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7683 -7.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6344 -7.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2333 -5.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2344 -4.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0992 -6.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 11 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 4 10 1 0 0 0\n 5 6 1 0 0 0\n 6 7 2 0 0 0\n 7 8 1 0 0 0\n 7 9 1 0 0 0\n 9 10 2 0 0 0\n 11 12 2 0 0 0\n 11 13 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl205\n\n> <atomid>\n0\n\n> <bondid>\n8\n\n$$$$\nVAL-L-Valine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n 10.8255 -8.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6953 -8.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5586 -8.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6953 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8255 -6.9502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5586 -6.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5586 -5.9506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4245 -7.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 2 4 1 0 0 0\n 4 5 1 6 0 0\n 4 6 1 0 0 0\n 6 7 2 0 0 0\n 6 8 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <prerender>\nlibrary.svg#tmpl206\n\n> <atomid>\n4\n\n> <bondid>\n0\n\n$$$$\nAdenine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 3.4903 -2.0759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1974 -1.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -1.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1974 -0.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9070 -2.2584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4956 -0.6934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8834 -0.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6333 -1.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6333 -0.9769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8834 0.2478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 2 0 0 0\n 2 5 1 0 0 0\n 3 6 2 0 0 0\n 4 7 1 0 0 0\n 5 8 2 0 0 0\n 7 9 2 0 0 0\n 7 10 1 0 0 0\n 4 6 1 0 0 0\n 8 9 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <prerender>\nlibrary.svg#tmpl207\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nCytosine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 0 0 999 V2000\n 3.7084 -1.9709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4211 -1.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -1.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4211 -0.7296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1335 -1.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -0.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7050 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7050 0.4994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 2 5 2 0 0 0\n 3 6 2 0 0 0\n 4 7 2 0 0 0\n 7 8 1 0 0 0\n 6 7 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <prerender>\nlibrary.svg#tmpl208\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nGuanine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 3.4897 0.3839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1974 0.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1974 1.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9066 0.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5004 1.7668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8887 1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6377 0.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6377 1.4853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8887 2.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3288 0.2133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 2 0 0 0\n 2 5 1 0 0 0\n 3 6 2 0 0 0\n 4 7 1 0 0 0\n 5 8 2 0 0 0\n 7 9 1 0 0 0\n 7 10 2 0 0 0\n 4 6 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <prerender>\nlibrary.svg#tmpl209\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nThymine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 9 0 0 0 999 V2000\n 2.4396 -1.5954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1523 -1.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7188 -1.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1523 -0.3502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8646 -1.5913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7189 -0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4364 0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4364 0.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0104 0.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 2 5 2 0 0 0\n 3 6 2 0 0 0\n 4 7 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <prerender>\nlibrary.svg#tmpl210\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nUracil\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 0 0 999 V2000\n 3.7124 -0.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4252 -0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4252 0.7243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1458 -0.5209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 0.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7092 1.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7092 1.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 2 5 2 0 0 0\n 3 6 2 0 0 0\n 4 7 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <prerender>\nlibrary.svg#tmpl211\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nRibose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 14 0 1 0 999 V2000\n 3.6483 -1.5101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6483 -2.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6030 -2.5039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5685 -2.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9582 -3.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2479 -3.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2479 -2.2377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2479 -4.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9582 -2.2333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9582 -4.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5685 -2.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7706 -2.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5685 -3.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6483 -3.6834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 1 0 0\n 5 6 1 1 0 0\n 2 6 1 1 0 0\n 6 7 1 0 0 0\n 6 8 1 0 0 0\n 5 9 1 0 0 0\n 5 10 1 0 0 0\n 4 11 1 0 0 0\n 11 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <prerender>\nlibrary.svg#tmpl212\n\n> <atomid>\n0\n\n> <bondid>\n11\n\n$$$$\nDeoxyribose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 14 0 0 0 999 V2000\n 11.5961 -4.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5961 -5.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1697 -6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7965 -6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3815 -5.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4831 -5.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3815 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5320 -4.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3815 -6.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7965 -4.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7965 -6.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1697 -4.7839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1697 -6.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5961 -6.3232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 2 6 1 0 0 0\n 6 5 1 0 0 0\n 5 4 1 0 0 0\n 4 3 1 0 0 0\n 2 3 1 0 0 0\n 2 1 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 5 9 1 0 0 0\n 4 10 1 0 0 0\n 4 11 1 0 0 0\n 3 12 1 0 0 0\n 3 13 1 0 0 0\n 2 14 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <prerender>\nlibrary.svg#tmpl213\n\n> <atomid>\n0\n\n> <bondid>\n7\n\n$$$$\nRibose monophosphate\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 1 0 999 V2000\n 14.4831 -3.7504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4831 -5.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4073 -4.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3426 -5.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7437 -5.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0710 -5.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0710 -4.4993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0710 -6.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7437 -4.4947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7437 -6.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3426 -4.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3426 -6.1115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4831 -5.9871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2261 -4.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3520 -4.3001 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4739 -4.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3520 -3.4183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3520 -5.1818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 1 0 0\n 5 6 1 1 0 0\n 2 6 1 1 0 0\n 6 7 1 0 0 0\n 6 8 1 0 0 0\n 5 9 1 0 0 0\n 5 10 1 0 0 0\n 4 11 1 0 0 0\n 4 12 1 0 0 0\n 2 13 1 0 0 0\n 14 15 1 0 0 0\n 15 16 1 0 0 0\n 15 17 2 0 0 0\n 15 18 1 0 0 0\n 11 14 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <prerender>\nlibrary.svg#tmpl214\n\n> <atomid>\n0\n\n> <bondid>\n14\n\n$$$$\nDeoxyribose monophosphate\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 11.5961 -4.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5961 -5.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1697 -6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7965 -6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3815 -5.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4831 -5.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3815 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5320 -4.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6579 -4.5909 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7798 -4.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6579 -3.7091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6579 -5.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3815 -6.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7965 -4.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7965 -6.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1697 -4.7839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1697 -6.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5961 -6.3232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 2 6 1 0 0 0\n 6 5 1 0 0 0\n 5 4 1 0 0 0\n 4 3 1 0 0 0\n 2 3 1 0 0 0\n 2 1 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 9 11 2 0 0 0\n 9 12 1 0 0 0\n 5 13 1 0 0 0\n 4 14 1 0 0 0\n 4 15 1 0 0 0\n 3 16 1 0 0 0\n 3 17 1 0 0 0\n 2 18 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <prerender>\nlibrary.svg#tmpl215\n\n> <atomid>\n0\n\n> <bondid>\n9\n\n$$$$\nAdenosine monophosphate\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 23 25 0 1 0 999 V2000\n 13.0195 -10.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3520 -10.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6070 -11.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4320 -11.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6869 -10.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6070 -12.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3520 -10.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5270 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6869 -10.0181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1983 -8.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.9127 -8.9796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 15.9127 -9.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1983 -10.2171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4838 -9.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7568 -8.6851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4838 -8.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2376 -9.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1983 -7.7420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4320 -12.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7020 -10.0181 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7020 -9.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7020 -10.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8770 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 5 1 0 0 0\n 2 3 1 1 0 0\n 2 7 1 0 0 0\n 3 4 1 1 0 0\n 3 6 1 0 0 0\n 5 4 1 1 0 0\n 5 9 1 0 0 0\n 7 8 1 0 0 0\n 14 9 1 0 0 0\n 9 17 1 0 0 0\n 10 11 2 0 0 0\n 10 16 1 0 0 0\n 10 18 1 0 0 0\n 11 12 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\n 16 14 2 0 0 0\n 15 16 1 0 0 0\n 15 17 2 0 0 0\n 4 19 1 0 0 0\n 8 20 1 0 0 0\n 20 21 2 0 0 0\n 20 22 1 0 0 0\n 20 23 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <prerender>\nlibrary.svg#tmpl216\n\n> <atomid>\n22\n\n> <bondid>\n24\n\n$$$$\nAdenosine diphosphate\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 27 29 0 1 0 999 V2000\n 11.2820 -9.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6145 -9.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8695 -10.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6945 -10.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9494 -9.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8695 -11.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6145 -9.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7895 -9.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9494 -9.0650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4608 -7.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1752 -8.0265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1752 -8.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4608 -9.2640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7463 -8.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0193 -7.7320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7463 -8.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5001 -8.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4608 -6.7889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6945 -11.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9645 -9.0650 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9645 -8.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9645 -9.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1395 -9.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3145 -9.0650 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3145 -8.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3145 -9.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4895 -9.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 5 1 0 0 0\n 2 3 1 1 0 0\n 2 7 1 0 0 0\n 3 4 1 1 0 0\n 3 6 1 0 0 0\n 5 4 1 1 0 0\n 5 9 1 0 0 0\n 7 8 1 0 0 0\n 14 9 1 0 0 0\n 9 17 1 0 0 0\n 10 11 2 0 0 0\n 10 16 1 0 0 0\n 10 18 1 0 0 0\n 11 12 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\n 16 14 2 0 0 0\n 15 16 1 0 0 0\n 15 17 2 0 0 0\n 4 19 1 0 0 0\n 8 20 1 0 0 0\n 20 21 2 0 0 0\n 20 22 1 0 0 0\n 20 23 1 0 0 0\n 23 24 1 0 0 0\n 24 25 2 0 0 0\n 24 26 1 0 0 0\n 24 27 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <prerender>\nlibrary.svg#tmpl217\n\n> <atomid>\n26\n\n> <bondid>\n28\n\n$$$$\nAdenosine triphosphate\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 31 33 0 1 0 999 V2000\n 14.6695 -10.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0020 -10.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2570 -11.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0820 -11.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3369 -10.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2570 -12.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0020 -10.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1770 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3369 -10.0181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8483 -8.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5627 -8.9796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5627 -9.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8483 -10.2171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1338 -9.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4068 -8.6851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1338 -8.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8876 -9.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8483 -7.7420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0820 -12.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3520 -10.0181 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3520 -9.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3520 -10.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5270 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7020 -10.0181 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7020 -9.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7020 -10.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8770 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0520 -10.0181 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0520 -9.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0520 -10.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2270 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 5 1 0 0 0\n 2 3 1 1 0 0\n 2 7 1 0 0 0\n 3 4 1 1 0 0\n 3 6 1 0 0 0\n 5 4 1 1 0 0\n 5 9 1 0 0 0\n 7 8 1 0 0 0\n 14 9 1 0 0 0\n 9 17 1 0 0 0\n 10 11 2 0 0 0\n 10 16 1 0 0 0\n 10 18 1 0 0 0\n 11 12 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\n 16 14 2 0 0 0\n 15 16 1 0 0 0\n 15 17 2 0 0 0\n 4 19 1 0 0 0\n 8 20 1 0 0 0\n 20 21 2 0 0 0\n 20 22 1 0 0 0\n 20 23 1 0 0 0\n 23 24 1 0 0 0\n 24 25 2 0 0 0\n 24 26 1 0 0 0\n 24 27 1 0 0 0\n 27 28 1 0 0 0\n 28 29 2 0 0 0\n 28 30 1 0 0 0\n 28 31 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <prerender>\nlibrary.svg#tmpl218\n\n> <atomid>\n30\n\n> <bondid>\n32\n\n$$$$\nBenzene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 0.6548 2.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0813 2.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3694 2.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0813 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6548 1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3712 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl219\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nBoat\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 5.8944 2.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4777 2.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4166 3.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9277 3.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2722 3.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0277 3.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 1 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 3 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl220\n\n> <atomid>\n3\n\n> <bondid>\n2\n\n$$$$\nChair\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 8.5333 5.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1166 6.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9111 6.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2555 6.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0277 5.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6166 6.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 1 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 3 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl221\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nChair1\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 4.9944 2.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7388 3.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2777 2.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4055 4.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5333 3.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1166 4.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 1 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl222\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nChair2\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 10.4055 2.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6611 3.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1222 2.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9944 4.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8666 3.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2833 4.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 1 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl223\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nChair3\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 5.0777 4.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4888 9.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2000 10.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8222 8.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3611 4.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3277 7.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0777 6.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4888 8.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2388 7.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6166 5.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8666 7.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2000 8.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3611 6.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7777 6.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8222 6.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0333 5.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4055 8.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6166 7.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7 15 1 0 0 0\n 15 13 1 0 0 0\n 13 8 1 0 0 0\n 8 18 1 0 0 0\n 18 12 1 0 0 0\n 12 7 1 0 0 0\n 1 7 1 0 0 0\n 8 2 1 0 0 0\n 12 3 1 0 0 0\n 15 4 1 0 0 0\n 5 13 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 10 18 1 0 0 0\n 11 12 1 0 0 0\n 13 14 1 0 0 0\n 15 16 1 0 0 0\n 17 18 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl224\n\n> <atomid>\n0\n\n> <bondid>\n5\n\n$$$$\nChair4\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 10.4888 4.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0777 9.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3666 10.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7444 8.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2055 4.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2388 7.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4888 6.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0777 8.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3277 7.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9500 5.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7000 7.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3666 8.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2055 6.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7888 6.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7444 6.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5333 5.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1611 8.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9500 7.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7 15 1 0 0 0\n 15 13 1 0 0 0\n 13 8 1 0 0 0\n 8 18 1 0 0 0\n 18 12 1 0 0 0\n 12 7 1 0 0 0\n 1 7 1 0 0 0\n 8 2 1 0 0 0\n 12 3 1 0 0 0\n 15 4 1 0 0 0\n 5 13 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 10 18 1 0 0 0\n 11 12 1 0 0 0\n 13 14 1 0 0 0\n 15 16 1 0 0 0\n 17 18 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl225\n\n> <atomid>\n0\n\n> <bondid>\n5\n\n$$$$\nCyclopentadiene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 3.8091 8.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3091 6.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6181 7.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3091 6.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 7.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 5 1 0 0 0\n 2 3 2 0 0 0\n 3 1 1 0 0 0\n 4 2 1 0 0 0\n 5 4 2 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl226\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nCyclopentadiene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 14.3500 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2160 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2160 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4840 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4840 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 2 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\n 4 3 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl227\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nRing3\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 3 3 0 0 0 999 V2000\n 2.6123 1.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6098 1.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1111 2.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 3 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl228\n\n$$$$\nRing4\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 4 4 0 0 0 999 V2000\n 3.4956 1.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4919 2.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4846 1.8991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4821 2.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 4 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl229\n\n$$$$\nRing5\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 3.3632 3.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3649 3.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0647 2.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6686 2.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8751 1.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 5 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl230\n\n$$$$\nRing5\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 2.2500 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1160 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1160 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3840 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3840 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\n 4 3 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl231\n\n$$$$\nRing6\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 2.5500 3.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5500 2.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4160 2.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2820 2.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2820 3.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4160 4.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl232\n\n$$$$\nRing7\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 7 0 0 0 999 V2000\n 21.4111 6.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.1938 6.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.1653 6.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.5987 5.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.4166 5.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.1660 4.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.1938 4.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 6 1 0 0 0\n 1 5 1 0 0 0\n 5 7 1 0 0 0\n 6 7 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl233\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nRing8\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 0 0 999 V2000\n 2.9268 2.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9270 3.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6288 3.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6290 1.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6266 1.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3286 2.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3285 3.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6266 3.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 1 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 3 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl234\n\n$$$$\nRing9\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 9 0 0 0 999 V2000\n 2.7667 2.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5972 3.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0962 4.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5313 1.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5375 1.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2993 2.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4693 3.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0364 4.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9746 4.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 1 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 8 3 1 0 0 0\n 8 9 1 0 0 0\n 9 7 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl235\n\n$$$$\nRing10\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 0 0 999 V2000\n 3.5215 2.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3132 2.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3132 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0493 2.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7854 2.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7854 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5215 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2575 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2575 2.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0493 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8 9 1 0 0 0\n 3 10 1 0 0 0\n 10 6 1 0 0 0\n 5 4 1 0 0 0\n 4 2 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 2 3 1 0 0 0\n 9 1 1 0 0 0\n 1 5 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl236\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nRing11\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 11 0 0 0 999 V2000\n 3.7115 0.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6673 0.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8179 1.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7664 2.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8179 3.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6382 4.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6721 4.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4599 3.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5335 3.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5480 2.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4840 1.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 1 1 0 0 0\n 4 5 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl237\n\n$$$$\nRing12\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 0 0 999 V2000\n 3.7276 1.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7247 1.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9441 2.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9082 2.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9040 3.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9232 3.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6929 4.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6906 4.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4660 3.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5063 3.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5162 2.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4980 2.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 0 0 0\n 12 1 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl238\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nRing13\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 13 0 0 0 999 V2000\n 3.2666 4.9710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4574 4.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9755 4.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7213 3.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0441 3.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6650 3.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0441 2.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7099 2.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9763 2.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6652 2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0491 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6845 1.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9051 1.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 13 1 0 0 0\n 1 2 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl239\n\n> <atomid>\n0\n\n> <bondid>\n12\n\n$$$$\nRing14\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 14 0 0 0 999 V2000\n 6.8995 3.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3539 4.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3678 2.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3685 3.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3883 2.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9655 4.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9885 1.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9602 4.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9932 1.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5727 3.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5892 2.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5971 4.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6111 2.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0671 3.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 14 1 0 0 0\n 13 14 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl240\n\n$$$$\nRing15\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 15 15 0 0 0 999 V2000\n 6.3839 2.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0478 1.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0286 1.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6750 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6672 0.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3752 1.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3912 2.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1293 2.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9384 3.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6710 4.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4746 5.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2796 4.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1008 5.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9121 4.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5968 3.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 3 4 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 7 8 1 0 0 0\n 12 13 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 11 12 1 0 0 0\n 1 15 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl241\n\n$$$$\nRing16\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 16 16 0 0 0 999 V2000\n 5.3307 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8666 2.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4647 0.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8666 4.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0006 3.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0006 2.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8666 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7326 0.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5987 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7326 3.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5987 4.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4647 3.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3307 2.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1967 2.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1967 3.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3307 4.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 3 1 0 0 0\n 3 1 1 0 0 0\n 1 13 1 0 0 0\n 10 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 2 1 0 0 0\n 2 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 12 11 1 0 0 0\n 11 10 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 15 16 1 0 0 0\n 16 12 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl242\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nRing18\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 6.7675 4.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7675 3.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8338 2.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9136 1.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0241 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2362 1.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4295 1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5501 1.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6379 2.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7034 3.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7024 4.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6366 4.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5561 5.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4362 5.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2239 5.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0336 5.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9184 5.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8307 4.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 3 4 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 7 8 1 0 0 0\n 12 13 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 11 12 1 0 0 0\n 16 17 1 0 0 0\n 17 18 1 0 0 0\n 15 16 1 0 0 0\n 1 18 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl243\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nRing20\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 20 20 0 0 0 999 V2000\n 5.1641 6.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7000 5.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7000 6.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5660 7.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4320 6.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2980 7.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1641 5.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0301 4.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0301 5.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1641 3.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1641 2.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2980 2.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5660 1.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4320 0.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2980 1.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8339 5.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8339 4.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7000 3.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6999 2.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5660 2.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 2 1 0 0 0\n 5 4 1 0 0 0\n 4 3 1 0 0 0\n 7 1 1 0 0 0\n 1 6 1 0 0 0\n 6 5 1 0 0 0\n 10 8 1 0 0 0\n 8 9 1 0 0 0\n 9 7 1 0 0 0\n 12 11 1 0 0 0\n 11 10 1 0 0 0\n 20 13 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 15 12 1 0 0 0\n 2 16 1 0 0 0\n 16 17 1 0 0 0\n 17 18 1 0 0 0\n 18 19 1 0 0 0\n 19 20 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl244\n\n> <atomid>\n13\n\n> <bondid>\n13\n\n$$$$\nRing21\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 21 21 0 0 0 999 V2000\n 13.0927 4.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7000 5.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7000 4.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4537 6.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4631 7.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5095 7.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5428 7.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5875 7.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6370 7.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6419 6.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6614 3.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6675 2.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6235 2.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5583 2.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5110 2.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4619 2.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4601 3.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4049 5.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4047 4.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4478 4.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4480 5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 2 10 1 0 0 0\n 3 11 1 0 0 0\n 17 19 1 0 0 0\n 18 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 11 12 1 0 0 0\n 12 13 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 15 16 1 0 0 0\n 16 17 1 0 0 0\n 19 20 1 0 0 0\n 20 1 1 0 0 0\n 1 21 1 0 0 0\n 21 18 1 0 0 0\nM END\n> <group>\nRings\n\n> <prerender>\nlibrary.svg#tmpl245\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Allopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -4.1124 6.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6076 4.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5974 5.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4025 4.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5974 6.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3373 4.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9974 3.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2076 5.2058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7775 5.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6076 3.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1476 3.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4025 4.0109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1124 5.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7577 4.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7775 4.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9974 4.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8224 4.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 8 4 1 0 0 0\n 3 5 1 0 0 0\n 3 6 1 0 0 0\n 7 16 1 0 0 0\n 17 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <prerender>\nlibrary.svg#tmpl246\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Altropyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -6.8433 4.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3385 2.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.3283 3.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.1334 2.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.3283 4.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -8.0682 2.8852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.7283 1.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9384 3.3102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.5084 3.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3385 1.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8784 2.0003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.1334 2.1154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.8433 3.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4886 2.4303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.5084 2.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.7283 2.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.5532 2.4303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 8 4 1 0 0 0\n 3 5 1 0 0 0\n 3 6 1 0 0 0\n 7 16 1 0 0 0\n 17 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <prerender>\nlibrary.svg#tmpl247\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Galactopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -6.4899 2.6666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9851 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.9748 1.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.7800 1.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.9748 2.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -7.7148 1.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3749 -0.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -7.1998 0.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1550 1.7866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9851 -0.2631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5250 0.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.7800 0.4768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.4899 1.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1352 0.7918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1550 0.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3749 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5850 1.6717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 17 4 1 0 0 0\n 3 5 1 0 0 0\n 3 6 1 0 0 0\n 7 16 1 0 0 0\n 8 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <prerender>\nlibrary.svg#tmpl248\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Glucopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -7.7107 -0.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2094 -2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -8.1903 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.0088 -1.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -8.1903 -0.3955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.8273 -1.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -7.5674 -3.1539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -8.3831 -2.1108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3908 -1.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2094 -3.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.7680 -2.5360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -7.0088 -2.4222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -7.7107 -1.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3937 -2.1108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3908 -1.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.5674 -2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -8.8923 -1.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 6 4 1 0 0 0\n 3 5 1 0 0 0\n 3 17 1 0 0 0\n 7 16 1 0 0 0\n 8 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <prerender>\nlibrary.svg#tmpl249\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Gulopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -5.8152 3.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2901 1.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.2952 2.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1052 2.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.2952 3.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9101 2.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.6702 0.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.5202 1.9532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4801 2.9432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2901 0.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8551 1.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1052 1.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.8152 2.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4651 1.9532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4801 2.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.6702 1.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.0302 2.4032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 6 4 1 0 0 0\n 3 5 1 0 0 0\n 3 17 1 0 0 0\n 7 16 1 0 0 0\n 8 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <prerender>\nlibrary.svg#tmpl250\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Idopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -6.0079 2.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4782 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.4929 1.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2981 1.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.4929 2.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1031 1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.8630 -0.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.6879 0.8561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6731 1.8509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4782 -0.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0431 0.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2981 0.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.0079 1.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6533 0.8561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6731 0.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.8630 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.2329 1.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 6 4 1 0 0 0\n 3 5 1 0 0 0\n 3 17 1 0 0 0\n 7 16 1 0 0 0\n 8 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <prerender>\nlibrary.svg#tmpl251\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Mannopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -5.5581 1.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0527 -0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.0375 0.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8565 0.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.0375 1.7202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.7441 0.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.4199 -1.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.2352 0.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2339 1.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0527 -1.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6161 -0.4246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8565 -0.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.5581 1.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2325 0.0301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2339 0.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.4199 -0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6705 0.8751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 17 4 1 0 0 0\n 3 5 1 0 0 0\n 3 6 1 0 0 0\n 7 16 1 0 0 0\n 8 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <prerender>\nlibrary.svg#tmpl252\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Talopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -6.3613 0.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8363 -1.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.8414 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.6514 -1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.8414 0.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -7.5764 -1.2223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.2164 -2.6973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -7.0414 -1.6773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0263 -0.6572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8363 -2.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4013 -2.0723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.6514 -1.9874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3613 -0.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0113 -1.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0263 -1.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.2164 -1.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4562 -0.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 17 4 1 0 0 0\n 3 5 1 0 0 0\n 3 6 1 0 0 0\n 7 16 1 0 0 0\n 8 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <prerender>\nlibrary.svg#tmpl253\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nfullerene C60\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 60 90 0 0 0 999 V2000\n 8.1533 -10.1609 -0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5120 -9.2753 0.7287 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7211 -9.6737 -1.3649 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4284 -7.8924 0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6441 -6.9280 1.4115 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8106 -9.6782 2.0415 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0295 -8.7030 3.0509 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9469 -7.3351 2.7388 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6766 -11.1024 -1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1155 -11.5835 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9755 -10.1416 -1.7961 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8475 -11.1110 0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6349 -10.8139 1.9708 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1564 -11.7548 1.1061 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9409 -11.4548 2.4787 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6874 -10.9874 2.9088 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0739 -8.9381 -2.1897 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7682 -9.8885 -1.4198 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6696 -9.0654 -2.3772 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0644 -10.9756 -0.8317 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3595 -11.3790 0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7598 -9.2142 -0.6853 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0558 -9.6210 0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3611 -10.6974 1.2254 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4123 -6.6547 -2.0401 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8008 -6.5277 -1.8552 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8430 -7.9304 -2.3022 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6373 -7.6755 -1.9309 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6791 -7.8462 -1.0006 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0147 -5.5656 -0.8513 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0674 -5.7391 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8951 -6.8726 0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9892 -7.4108 -0.7846 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5523 -6.1489 -0.5256 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6396 -8.3057 -1.6776 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7701 -5.7695 -1.1557 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7608 -5.0959 -0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3383 -5.8515 0.8323 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3403 -5.1700 1.5751 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5444 -4.7952 0.9518 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5476 -6.3919 2.2132 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8535 -5.4411 1.4456 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5858 -4.9664 1.8803 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9810 -6.8781 3.4234 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7114 -9.1401 2.8425 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2717 -8.6582 1.6457 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1904 -7.2758 1.3282 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0632 -8.2456 3.7369 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2924 -9.8955 4.0975 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9320 -10.7811 3.2133 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1480 -10.4012 2.5830 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8614 -8.6206 4.3621 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6340 -7.6127 4.2389 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0720 -8.8741 3.9774 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9055 -10.0226 3.9070 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0361 -7.4850 4.4331 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0254 -5.4466 3.0771 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6379 -5.5719 2.8889 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9380 -6.6611 3.4734 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7278 -6.4079 3.8535 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 1 3 1 0 0 0 0\n 1 12 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 6 1 0 0 0 0\n 3 11 2 0 0 0 0\n 3 35 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 33 1 0 0 0 0\n 5 8 1 0 0 0 0\n 5 38 1 0 0 0 0\n 6 7 2 0 0 0 0\n 6 13 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 54 1 0 0 0 0\n 8 59 2 0 0 0 0\n 9 10 2 0 0 0 0\n 9 11 1 0 0 0 0\n 9 20 1 0 0 0 0\n 10 12 1 0 0 0 0\n 10 14 1 0 0 0 0\n 11 19 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 16 1 0 0 0 0\n 14 15 2 0 0 0 0\n 14 21 1 0 0 0 0\n 15 16 1 0 0 0 0\n 15 50 1 0 0 0 0\n 16 55 2 0 0 0 0\n 17 18 1 0 0 0 0\n 17 19 2 0 0 0 0\n 17 28 1 0 0 0 0\n 18 20 2 0 0 0 0\n 18 22 1 0 0 0 0\n 19 27 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 24 2 0 0 0 0\n 22 23 2 0 0 0 0\n 22 29 1 0 0 0 0\n 23 24 1 0 0 0 0\n 23 46 1 0 0 0 0\n 24 51 1 0 0 0 0\n 25 26 1 0 0 0 0\n 25 27 2 0 0 0 0\n 25 36 1 0 0 0 0\n 26 28 2 0 0 0 0\n 26 30 1 0 0 0 0\n 27 35 1 0 0 0 0\n 28 29 1 0 0 0 0\n 29 32 2 0 0 0 0\n 30 31 2 0 0 0 0\n 30 37 1 0 0 0 0\n 31 32 1 0 0 0 0\n 31 42 1 0 0 0 0\n 32 47 1 0 0 0 0\n 33 34 1 0 0 0 0\n 33 35 2 0 0 0 0\n 34 36 2 0 0 0 0\n 34 38 1 0 0 0 0\n 36 37 1 0 0 0 0\n 37 40 2 0 0 0 0\n 38 39 2 0 0 0 0\n 39 40 1 0 0 0 0\n 39 58 1 0 0 0 0\n 40 43 1 0 0 0 0\n 41 42 1 0 0 0 0\n 41 44 2 0 0 0 0\n 41 47 1 0 0 0 0\n 42 43 2 0 0 0 0\n 43 57 1 0 0 0 0\n 44 48 1 0 0 0 0\n 44 60 1 0 0 0 0\n 45 46 1 0 0 0 0\n 45 48 2 0 0 0 0\n 45 51 1 0 0 0 0\n 46 47 2 0 0 0 0\n 48 52 1 0 0 0 0\n 49 50 1 0 0 0 0\n 49 52 2 0 0 0 0\n 49 55 1 0 0 0 0\n 50 51 2 0 0 0 0\n 52 56 1 0 0 0 0\n 53 54 2 0 0 0 0\n 53 56 1 0 0 0 0\n 53 59 1 0 0 0 0\n 54 55 1 0 0 0 0\n 56 60 2 0 0 0 0\n 57 58 2 0 0 0 0\n 57 60 1 0 0 0 0\n 58 59 1 0 0 0 0\nM END\n> <group>\n3D Templates\n\n> <prerender>\nlibrary.svg#tmpl254\n\n> <atomid>\n18\n\n> <bondid>\n34\n\n$$$$\nadamantane\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 10 12 0 0 0 999 V2000\n 15.2172 -8.1314 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4398 -7.4133 -0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2919 -8.3429 -0.6392 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9004 -9.6792 -1.1737 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6785 -10.3958 -0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8276 -9.4680 0.4869 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8081 -9.1570 -0.6894 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.0325 -8.4390 -1.8401 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4215 -7.1042 -1.3049 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8828 -9.3683 -2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 4 10 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 2 9 1 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 5 6 1 0 0 0 0\n 8 10 1 0 0 0 0\n 2 3 1 0 0 0 0\nM END\n> <group>\n3D Templates\n\n> <prerender>\nlibrary.svg#tmpl255\n\n> <atomid>\n1\n\n> <bondid>\n0\n$$$$\ncubane\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 8 12 0 0 0 999 V2000\n 10.5569 -9.9029 4.2925 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2017 -9.5628 4.9812 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5825 -8.4868 3.6463 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3483 -7.9339 4.8851 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9705 -9.0155 6.2193 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3256 -9.3519 5.5298 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2296 -8.1444 4.3386 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9966 -7.5972 5.5784 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0 0\n 3 1 1 0 0 0 0\n 1 6 1 0 0 0 0\n 2 5 1 0 0 0 0\n 7 2 1 0 0 0 0\n 3 4 1 0 0 0 0\n 7 3 1 0 0 0 0\n 4 6 1 0 0 0 0\n 8 4 1 0 0 0 0\n 5 6 1 0 0 0 0\n 8 5 1 0 0 0 0\n 8 7 1 0 0 0 0\nM END\n> <atomid>\n0\n\n> <bondid>\n0\n\n> <group>\n3D Templates\n\n> <prerender>\nlibrary.svg#tmpl256\n\n$$$$\nring 6 boat\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 11.2934 -7.8385 -0.6482 H 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2480 -6.3919 0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1209 -8.2282 2.2065 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5795 -10.2283 0.6541 H 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2777 -9.8706 -1.8252 H 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5448 -7.5081 -2.7767 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7930 -7.7993 -0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8567 -7.8369 0.7935 H 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7961 -6.3928 0.4449 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.0357 -7.4556 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7535 -9.8351 -1.1468 H 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0584 -10.2582 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6187 -8.3063 2.8894 H 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6881 -8.3653 -1.4688 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2260 -8.3597 -1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9985 -8.7537 0.9805 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5364 -8.7481 1.4094 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3614 -7.8158 0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 7 1 0 0 0 0\n 3 16 1 0 0 0 0\n 4 16 1 0 0 0 0\n 5 14 1 0 0 0 0\n 6 14 1 0 0 0 0\n 7 14 1 0 0 0 0\n 7 16 1 0 0 0 0\n 8 18 1 0 0 0 0\n 9 18 1 0 0 0 0\n 10 15 1 0 0 0 0\n 11 15 1 0 0 0 0\n 12 17 1 0 0 0 0\n 13 17 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 18 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 1 7 1 0 0 0 0\nM END\n> <atomid>\n0\n\n> <bondid>\n17\n\n> <group>\n3D Templates\n\n> <prerender>\nlibrary.svg#tmpl257\n\n$$$$\nring 6 chair\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 6.4738 -5.6532 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4541 -4.2314 0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2774 -5.9986 2.2013 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7022 -8.0409 0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4210 -7.7512 -1.7876 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7429 -5.4159 -2.7877 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0262 -7.2017 0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0549 -8.6186 -0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6856 -6.5861 1.4297 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7917 -7.4939 2.7473 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0968 -5.1271 1.7849 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1503 -6.5687 0.9919 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3966 -6.2651 -1.0354 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5752 -7.1963 0.2541 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8371 -4.7668 -0.6787 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2658 -6.7684 -2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8611 -6.2475 -1.4612 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9719 -5.6379 -0.3097 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 18 1 0 0 0 0\n 3 12 1 0 0 0 0\n 4 12 1 0 0 0 0\n 5 17 1 0 0 0 0\n 6 17 1 0 0 0 0\n 7 14 1 0 0 0 0\n 8 14 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\n 9 12 1 0 0 0 0\n 9 14 1 0 0 0 0\n 12 18 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 1 0 0 0 0\n 13 16 1 0 0 0 0\n 13 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 1 18 1 0 0 0 0\nM END\n> <atomid>\n0\n\n> <bondid>\n17\n\n> <group>\n3D Templates\n\n> <prerender>\nlibrary.svg#tmpl258\n\n$$$$\nferrocene\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 21 30 0 0 0 999 V2000\n 10.7433 -4.6065 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1199 -5.2233 1.4626 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8813 -5.4347 2.6717 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9893 -4.9432 0.9828 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0583 -4.4230 -1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8850 -5.0258 0.7924 C 0 0 0 0 0 5 0 0 0 0 0 0\n 8.5484 -4.7171 -0.5593 C 0 0 0 0 0 5 0 0 0 0 0 0\n 10.0737 -4.8235 -0.3755 C 0 0 0 0 0 5 0 0 0 0 0 0\n 10.3426 -5.1926 1.0905 C 0 0 0 0 0 5 0 0 0 0 0 0\n 8.9947 -5.3190 1.8095 C 0 0 0 0 0 4 0 0 0 0 0 0\n 9.0287 -7.2803 -0.0160 Fe 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8301 -9.3252 -1.3831 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4779 -9.9251 1.0385 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9836 -10.0770 1.2682 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0339 -9.5923 -1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1165 -9.0779 -2.7663 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1539 -9.5146 -0.7880 C 0 0 0 0 0 5 0 0 0 0 0 0\n 9.0210 -9.2478 -1.7601 C 0 0 0 0 0 5 0 0 0 0 0 0\n 7.7109 -9.3705 -0.9994 C 0 0 0 0 0 5 0 0 0 0 0 0\n 8.0440 -9.7186 0.4389 C 0 0 0 0 0 5 0 0 0 0 0 0\n 9.5495 -9.8067 0.5699 C 0 0 0 0 0 4 0 0 0 0 0 0\n 1 8 1 0 0 0 0\n 2 9 1 0 0 0 0\n 3 10 1 0 0 0 0\n 4 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 6 7 2 0 0 0 0\n 6 10 1 0 0 0 0\n 6 11 1 0 0 0 0\n 7 11 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 11 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 17 1 0 0 0 0\n 11 18 1 0 0 0 0\n 11 19 1 0 0 0 0\n 11 20 1 0 0 0 0\n 11 21 1 0 0 0 0\n 12 19 1 0 0 0 0\n 13 20 1 0 0 0 0\n 14 21 1 0 0 0 0\n 15 17 1 0 0 0 0\n 16 18 1 0 0 0 0\n 17 18 2 0 0 0 0\n 17 21 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 2 0 0 0 0\n 20 21 1 0 0 0 0\n 7 8 1 0 0 0 0\nM CHG 3 10 -1 11 2 21 -1\nM END\n> <atomid>\n0\n\n> <bondid>\n29\n\n> <group>\n3D Templates\n\n> <prerender>\nlibrary.svg#tmpl259\n\n$$$$\nbis(benzene)chromium\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 25 36 0 0 0 999 V2000\n 6.4355 -9.0395 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9645 -9.0205 -1.1098 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8350 -9.9405 1.0201 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6010 -8.0061 -3.3654 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5675 -9.9807 1.0831 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6580 -7.9387 -3.4841 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7133 -8.9130 -1.0583 C 0 0 0 0 0 5 0 0 0 0 0 0\n 8.4060 -9.4512 0.1516 C 0 0 0 0 0 5 0 0 0 0 0 0\n 9.9460 -9.4512 0.1516 C 0 0 0 0 0 5 0 0 0 0 0 0\n 7.6316 -8.9131 -1.0546 C 0 0 0 0 0 5 0 0 0 0 0 0\n 9.9423 -8.3732 -2.2747 C 0 0 0 0 0 5 0 0 0 0 0 0\n 8.4043 -8.3734 -2.2720 C 0 0 0 0 0 5 0 0 0 0 0 0\n 9.1789 -6.5719 0.0084 Cr 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4896 -4.2075 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9323 -4.0735 0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6895 -3.2859 -0.8924 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7804 -5.1073 3.2258 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3721 -3.1694 -1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8953 -5.2543 3.5528 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7017 -4.2171 0.9515 C 0 0 0 0 0 5 0 0 0 0 0 0\n 8.3254 -3.7502 -0.0765 C 0 0 0 0 0 5 0 0 0 0 0 0\n 9.8419 -3.7057 -0.1884 C 0 0 0 0 0 5 0 0 0 0 0 0\n 7.6652 -4.2995 1.1662 C 0 0 0 0 0 5 0 0 0 0 0 0\n 10.0444 -4.7658 2.2003 C 0 0 0 0 0 5 0 0 0 0 0 0\n 8.5286 -4.8076 2.3055 C 0 0 0 0 0 5 0 0 0 0 0 0\n 1 10 1 0 0 0 0\n 2 7 1 0 0 0 0\n 3 8 1 0 0 0 0\n 4 11 1 0 0 0 0\n 5 9 1 0 0 0 0\n 6 12 1 0 0 0 0\n 7 9 1 0 0 0 0\n 7 11 2 0 0 0 0\n 7 13 1 0 0 0 0\n 8 10 1 0 0 0 0\n 8 13 1 0 0 0 0\n 9 13 1 0 0 0 0\n 10 12 2 0 0 0 0\n 10 13 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 20 1 0 0 0 0\n 13 21 1 0 0 0 0\n 13 22 1 0 0 0 0\n 13 23 1 0 0 0 0\n 13 24 1 0 0 0 0\n 13 25 1 0 0 0 0\n 14 23 1 0 0 0 0\n 15 20 1 0 0 0 0\n 16 21 1 0 0 0 0\n 17 24 1 0 0 0 0\n 18 22 1 0 0 0 0\n 19 25 1 0 0 0 0\n 20 22 1 0 0 0 0\n 20 24 2 0 0 0 0\n 21 22 2 0 0 0 0\n 21 23 1 0 0 0 0\n 23 25 2 0 0 0 0\n 24 25 1 0 0 0 0\n 8 9 2 0 0 0 0\nM END\n> <atomid>\n13\n\n> <bondid>\n32\n\n> <group>\n3D Templates\n\n> <prerender>\nlibrary.svg#tmpl260\n\n$$$$\nB12H12(2-)\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 24 42 0 0 0 999 V2000\n 12.4312 -3.2376 0.4439 B 0 0 0 0 0 6 0 0 0 0 0 0\n 16.4207 -5.8576 -0.2695 B 0 0 0 0 0 6 0 0 0 0 0 0\n 14.1001 -6.2706 3.8919 B 0 0 0 0 0 6 0 0 0 0 0 0\n 9.3404 -6.0750 2.9813 B 0 0 0 0 0 6 0 0 0 0 0 0\n 8.7969 -5.5378 -1.7981 B 0 0 0 0 0 6 0 0 0 0 0 0\n 13.1757 -5.4213 -3.7933 B 0 0 0 0 0 6 0 0 0 0 0 0\n 8.1864 -9.9878 0.2781 B 0 0 0 0 0 6 0 0 0 0 0 0\n 10.5209 -9.5795 -3.9123 B 0 0 0 0 0 6 0 0 0 0 0 0\n 15.2666 -9.7699 -2.9723 B 0 0 0 0 0 6 0 0 0 0 0 0\n 15.8533 -10.3140 1.7916 B 0 0 0 0 0 6 0 0 0 0 0 0\n 11.4884 -10.4352 3.7578 B 0 0 0 0 0 6 0 0 0 0 0 0\n 12.1760 -12.6074 -0.4354 B 0 0 0 0 0 6 0 0 0 0 0 0\n 12.4749 -1.7046 0.5839 H 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8310 -5.1795 -0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6662 -5.7081 5.2069 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3627 -5.4572 3.9536 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6209 -4.7599 -2.4114 H 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4468 -4.5890 -5.0444 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8191 -10.6723 0.3591 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9409 -10.1369 -5.1983 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.2582 -10.3930 -3.9739 H 0 0 0 0 0 0 0 0 0 0 0 0\n 17.0014 -11.0826 2.4636 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1894 -11.2582 5.0672 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1461 -14.1455 -0.6043 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 1 5 1 0 0 0 0\n 1 6 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 6 1 0 0 0 0\n 2 9 1 0 0 0 0\n 2 10 1 0 0 0 0\n 2 14 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 10 1 0 0 0 0\n 3 11 1 0 0 0 0\n 3 15 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 7 1 0 0 0 0\n 4 11 1 0 0 0 0\n 4 16 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 5 17 1 0 0 0 0\n 6 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 6 18 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 11 1 0 0 0 0\n 7 12 1 0 0 0 0\n 7 19 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 12 1 0 0 0 0\n 8 20 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 12 1 0 0 0 0\n 9 21 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 10 22 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 23 1 0 0 0 0\n 12 24 1 0 0 0 0\n 1 13 1 0 0 0 0\nM CHG 2 1 -1 12 -1\nM END\n> <atomid>\n12\n\n> <bondid>\n0\n\n> <group>\n3D Templates\n\n> <prerender>\nlibrary.svg#tmpl261\n\n$$$$\nvitamin B12\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n103114 0 0 0 999 V2000\n 10.0126 -6.0489 -13.5041 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2665 -4.8038 -15.4155 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0719 -4.7946 -16.7187 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8472 -5.1986 -15.5844 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9546 -4.9961 -16.0533 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4802 -5.5205 -14.6269 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.3257 -5.3477 -15.0230 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.2452 -5.9492 -13.5110 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9757 -6.4703 -12.1989 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.5273 -7.2118 -10.3388 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.0197 -7.7946 -8.9278 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5538 -8.5006 -7.2370 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8115 -8.8424 -6.3353 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3804 -8.3915 -7.4797 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3227 -8.6564 -7.0103 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7712 -8.1015 -8.4087 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5465 -8.2236 -8.2815 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6917 -7.9286 -10.2200 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4134 -6.8953 -11.4432 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6144 -6.7969 -11.5192 Co 0 0 0 0 0 6 0 0 0 0 0 0\n 12.2857 -5.9898 -13.6053 N 0 0 0 0 0 4 0 0 0 0 0 0\n 15.8974 -6.2784 -12.7299 N 0 0 0 0 0 4 0 0 0 0 0 0\n 14.9683 -7.6066 -9.4297 N 0 0 0 0 0 4 0 0 0 0 0 0\n 11.3583 -7.3147 -10.3330 N 0 0 0 0 0 3 0 0 0 0 0 0\n 13.6089 -4.2778 -10.6365 C 0 0 0 0 0 4 0 0 0 0 0 0\n 9.5801 -8.7584 -13.9042 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4453 -2.8614 -14.8927 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4101 -5.8354 -16.5037 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1634 -2.8242 -17.7312 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3864 -5.7747 -18.2208 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.5249 -7.0185 -16.5061 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.7675 -3.5479 -15.3782 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.4569 -10.0661 -7.3817 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.4052 -7.9169 -6.3130 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8156 -7.2528 -4.7450 H 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7237 -10.7118 -5.8515 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9023 -10.1564 -7.4863 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7957 -6.6276 -6.9202 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9087 -6.6565 -10.0941 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0783 -9.8969 -11.0575 H 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5150 -4.2054 -18.0068 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7364 -9.4165 -5.0289 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5533 -10.7271 -8.9073 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9804 -5.8129 -10.9834 H 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6757 -11.3323 -13.1820 N 0 0 0 0 0 4 0 0 0 0 0 0\n 12.8841 -12.0634 -13.1495 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5374 -11.8140 -13.4950 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3354 -12.8901 -13.6165 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2952 -13.0084 -13.3833 N 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5439 -11.4691 -13.6699 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.2732 -12.1354 -13.9651 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.0710 -13.2114 -14.0865 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0926 -13.5594 -13.9132 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2799 -11.7879 -14.1397 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.7994 -13.8782 -14.3561 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8380 -13.7498 -13.5877 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9307 -14.2220 -12.4729 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5996 -14.2426 -12.2918 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7574 -15.0262 -10.3782 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5040 -14.9970 -10.5281 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2774 -15.6088 -12.6360 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7189 -11.9931 -14.1935 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6269 -15.5329 -15.5283 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6856 -17.1207 -10.1971 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3152 -17.1087 -8.3976 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0383 -13.2992 -8.9005 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7202 -15.8056 -13.5771 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7327 -12.3458 -12.9365 P 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7235 -12.3118 -12.2754 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7534 -13.6586 -12.6192 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5577 -13.4895 -11.9328 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4710 -13.0662 -12.5859 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7849 -11.8224 -15.4096 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7267 -12.4339 -11.0249 H 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2585 -14.6633 -11.3010 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2011 -14.0490 -11.8767 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2182 -12.9593 -10.6096 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3586 -11.2160 -12.3884 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1340 -13.0039 -9.7572 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5516 -7.1810 -10.1929 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2010 -6.3792 -10.1999 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4260 -8.3234 -10.2821 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6452 -3.0804 -15.0021 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2828 -2.3624 -15.0118 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3796 -4.2070 -15.0993 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6112 -4.4140 -18.1337 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5579 -2.8834 -18.0956 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9350 -1.8793 -18.0952 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5332 -1.9770 -18.0310 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.6329 -2.8548 -15.4074 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4644 -3.4580 -15.4721 N 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6644 -2.1519 -15.4294 O 0 0 0 0 0 0 0 0 0 0 0 0\n 20.3112 -4.5349 -12.8385 H 0 0 0 0 0 0 0 0 0 0 0 0\n 20.3404 -7.4169 -13.9250 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.0913 -8.6322 -13.9674 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.6425 -9.7675 -13.9743 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.1661 -10.6445 -13.9755 N 0 0 0 0 0 0 0 0 0 0 0 0\n 19.7050 -10.3118 -14.0278 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5025 -11.2248 -5.7907 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.7454 -12.5808 -5.8163 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1068 -13.4968 -5.8671 N 0 0 0 0 0 0 0 0 0 0 0 0\n 18.9107 -13.2774 -5.7859 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5851 -2.8203 -10.1780 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 19 1 0 0 0 0\n 1 21 1 0 0 0 0\n 1 26 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 27 1 0 0 0 0\n 2 28 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 29 1 0 0 0 0\n 3 30 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 21 2 0 0 0 0\n 5 6 2 0 0 0 0\n 5 41 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 22 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 31 1 0 0 0 0\n 7 32 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 93 1 0 0 0 0\n 8 94 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 22 2 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 11 23 1 0 0 0 0\n 12 13 1 0 0 0 0\n 12 33 1 0 0 0 0\n 12 34 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 35 1 0 0 0 0\n 13 36 1 0 0 0 0\n 14 15 1 0 0 0 0\n 14 23 2 0 0 0 0\n 15 16 2 0 0 0 0\n 15 42 1 0 0 0 0\n 16 17 1 0 0 0 0\n 16 24 1 0 0 0 0\n 17 18 1 0 0 0 0\n 17 37 1 0 0 0 0\n 17 38 1 0 0 0 0\n 18 19 1 0 0 0 0\n 18 39 1 0 0 0 0\n 18 40 1 0 0 0 0\n 19 24 1 0 0 0 0\n 19 44 1 0 0 0 0\n 20 21 1 0 0 0 0\n 20 22 1 0 0 0 0\n 20 23 1 0 0 0 0\n 20 24 1 0 0 0 0\n 20 25 1 0 0 0 0\n 20 45 1 0 0 0 0\n 25103 3 0 0 0 0\n 27 83 1 0 0 0 0\n 30 86 1 0 0 0 0\n 32 90 1 0 0 0 0\n 36 99 1 0 0 0 0\n 37 43 1 0 0 0 0\n 39 80 1 0 0 0 0\n 43 77 1 0 0 0 0\n 45 46 2 0 0 0 0\n 45 47 1 0 0 0 0\n 46 49 1 0 0 0 0\n 47 48 2 0 0 0 0\n 47 50 1 0 0 0 0\n 48 49 1 0 0 0 0\n 48 53 1 0 0 0 0\n 49 58 1 0 0 0 0\n 50 51 2 0 0 0 0\n 51 52 1 0 0 0 0\n 51 54 1 0 0 0 0\n 52 53 2 0 0 0 0\n 52 55 1 0 0 0 0\n 56 57 1 0 0 0 0\n 56 58 1 0 0 0 0\n 56 62 1 0 0 0 0\n 56 63 1 0 0 0 0\n 57 60 1 0 0 0 0\n 57 67 1 0 0 0 0\n 57 69 1 0 0 0 0\n 58 59 1 0 0 0 0\n 58 61 1 0 0 0 0\n 59 60 1 0 0 0 0\n 60 64 1 0 0 0 0\n 60 66 1 0 0 0 0\n 64 65 1 0 0 0 0\n 68 69 1 0 0 0 0\n 68 70 1 0 0 0 0\n 68 73 2 0 0 0 0\n 68 78 1 0 0 0 0\n 70 71 1 0 0 0 0\n 71 72 1 0 0 0 0\n 71 74 1 0 0 0 0\n 71 75 1 0 0 0 0\n 72 76 1 0 0 0 0\n 76 77 1 0 0 0 0\n 77 79 2 0 0 0 0\n 80 81 1 0 0 0 0\n 80 82 2 0 0 0 0\n 83 85 2 0 0 0 0\n 86 87 1 0 0 0 0\n 87 88 1 0 0 0 0\n 87 89 2 0 0 0 0\n 90 91 1 0 0 0 0\n 90 92 2 0 0 0 0\n 94 95 1 0 0 0 0\n 95 96 1 0 0 0 0\n 96 97 1 0 0 0 0\n 96 98 2 0 0 0 0\n 99100 1 0 0 0 0\n100101 1 0 0 0 0\n100102 2 0 0 0 0\n 83 84 1 0 0 0 0\nM CHG 4 20 3 24 -1 25 -1 78 -1\nM END\n> <atomid>\n83\n\n> <bondid>\n113\n\n> <group>\n3D Templates\n\n> <prerender>\nlibrary.svg#tmpl262\n\n$$$$\nsucrose\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 31 32 0 0 0 999 V2000\n 5.2890 -7.5286 -0.0614 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6624 -5.1211 -0.7785 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2941 -5.7056 2.0759 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9494 -7.5048 1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0481 -8.2707 -1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2890 -4.4624 -0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3001 -5.0862 0.5701 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1244 -4.8497 1.9163 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5502 -3.7821 0.2011 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2117 -6.2026 0.8774 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3725 -5.8284 -1.8918 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3225 -6.4586 -0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2839 -6.9390 -1.5749 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5059 -7.2324 -2.8968 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5117 -6.1824 -4.0570 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2609 -5.5788 -0.5948 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9153 -6.8782 -0.1205 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4269 -6.7225 2.4575 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3241 -8.0774 2.1099 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1140 -7.8468 -1.0282 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3110 -9.0856 -0.5158 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5240 -8.9610 1.2547 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7799 -10.1548 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8853 -8.7670 1.9939 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6894 -7.6334 1.4979 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4355 -6.9446 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0396 -5.5329 0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4050 -5.2699 -0.5577 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7885 -9.0951 -0.3085 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1875 -10.4160 -0.8042 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0011 -11.7179 -0.6982 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 12 1 0 0 0 0\n 2 12 1 0 0 0 0\n 3 10 1 0 0 0 0\n 4 10 1 0 0 0 0\n 5 13 1 0 0 0 0\n 6 16 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 7 10 1 0 0 0 0\n 7 16 1 0 0 0 0\n 10 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 11 16 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 26 1 0 0 0 0\n 18 25 1 0 0 0 0\n 19 25 1 0 0 0 0\n 20 26 1 0 0 0 0\n 20 29 1 0 0 0 0\n 21 29 1 0 0 0 0\n 22 23 1 0 0 0 0\n 22 24 1 0 0 0 0\n 22 25 1 0 0 0 0\n 22 29 1 0 0 0 0\n 25 26 1 0 0 0 0\n 26 27 1 0 0 0 0\n 29 30 1 0 0 0 0\n 30 31 1 0 0 0 0\n 27 28 1 0 0 0 0\nM END\n> <atomid>\n20\n\n> <bondid>\n22\n\n> <group>\n3D Templates\n\n> <prerender>\nlibrary.svg#tmpl263\n\n$$$$\nMo7O24\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 31 42 0 0 0 999 V2000\n 8.3825 -6.6288 0.5307 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0566 -8.0054 0.0391 O 0 0 0 0 0 2 0 0 0 0 0 0\n 9.6225 -7.1718 1.1905 O 0 0 0 0 0 2 0 0 0 0 0 0\n 7.4634 -4.7037 0.3717 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7036 -5.2443 1.0328 O 0 0 0 0 0 2 0 0 0 0 0 0\n 6.5457 -2.7785 0.2130 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3026 -2.2284 -0.4344 O 0 0 0 0 0 2 0 0 0 0 0 0\n 6.8689 -1.3946 0.7160 O 0 0 0 0 0 2 0 0 0 0 0 0\n 7.7859 -3.3192 0.8741 O 0 0 0 0 0 2 0 0 0 0 0 0\n 7.8935 -5.8337 -1.3972 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5257 -7.2356 -1.8700 O 0 0 0 0 0 2 0 0 0 0 0 0\n 9.1639 -6.3573 -0.7629 O 0 0 0 0 0 2 0 0 0 0 0 0\n 8.6584 -5.5970 -2.7259 O 0 0 0 0 0 2 0 0 0 0 0 0\n 6.9618 -3.8926 -1.5768 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6757 -3.3420 -2.2214 O 0 0 0 0 0 2 0 0 0 0 0 0\n 6.6072 -5.3104 -2.0267 O 0 0 0 0 0 2 0 0 0 0 0 0\n 7.3276 -2.5064 -1.0793 O 0 0 0 0 0 2 0 0 0 0 0 0\n 8.2454 -4.4322 -0.9197 O 0 0 0 0 0 3 0 0 0 0 0 0\n 7.7257 -3.6594 -2.9288 O 0 0 0 0 0 2 0 0 0 0 0 0\n 6.3294 -6.3423 1.1548 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9769 -7.6983 0.6446 O 0 0 0 0 0 2 0 0 0 0 0 0\n 7.5984 -6.9043 1.8353 O 0 0 0 0 0 2 0 0 0 0 0 0\n 5.5195 -6.6078 2.4374 O 0 0 0 0 0 2 0 0 0 0 0 0\n 7.1374 -6.0780 -0.1178 O 0 0 0 0 0 4 0 0 0 0 0 0\n 5.4562 -4.4102 0.9865 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1170 -5.7537 0.4947 O 0 0 0 0 0 2 0 0 0 0 0 0\n 6.6789 -4.9771 1.6760 O 0 0 0 0 0 3 0 0 0 0 0 0\n 4.2276 -3.8981 0.3645 O 0 0 0 0 0 2 0 0 0 0 0 0\n 5.7599 -3.0518 1.5169 O 0 0 0 0 0 2 0 0 0 0 0 0\n 4.6888 -4.6683 2.2585 O 0 0 0 0 0 2 0 0 0 0 0 0\n 6.2191 -4.1522 -0.2765 O 0 0 0 0 0 4 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 1 3 2 0 0 0 0\n 1 5 1 0 0 0 0\n 1 12 1 0 0 0 0\n 1 22 1 0 0 0 0\n 1 24 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 9 1 0 0 0 0\n 4 18 1 0 0 0 0\n 4 24 1 0 0 0 0\n 4 27 1 0 0 0 0\n 4 31 1 0 0 0 0\n 6 7 2 0 0 0 0\n 6 8 2 0 0 0 0\n 6 9 1 0 0 0 0\n 6 17 1 0 0 0 0\n 6 29 1 0 0 0 0\n 6 31 1 0 0 0 0\n 10 11 2 0 0 0 0\n 10 12 1 0 0 0 0\n 10 13 2 0 0 0 0\n 10 16 1 0 0 0 0\n 10 18 1 0 0 0 0\n 10 24 1 0 0 0 0\n 14 15 2 0 0 0 0\n 14 16 1 0 0 0 0\n 14 17 1 0 0 0 0\n 14 18 1 0 0 0 0\n 14 19 2 0 0 0 0\n 14 31 1 0 0 0 0\n 20 21 2 0 0 0 0\n 20 22 1 0 0 0 0\n 20 24 1 0 0 0 0\n 20 26 1 0 0 0 0\n 20 27 1 0 0 0 0\n 25 26 1 0 0 0 0\n 25 27 1 0 0 0 0\n 25 28 2 0 0 0 0\n 25 29 1 0 0 0 0\n 25 30 2 0 0 0 0\n 25 31 1 0 0 0 0\n 20 23 2 0 0 0 0\nM CHG 8 1 6 2 -2 3 -2 4 6 5 -2 6 6 7 -2 8 -2\nM END\n> <atomid>\n1\n\n> <bondid>\n0\n\n> <group>\n3D Templates\n\n> <prerender>\nlibrary.svg#tmpl264\n\n$$$$\nC20H20\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 40 50 0 0 0 999 V2000\n 7.5483 -7.7451 -3.3419 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3984 -5.8792 -3.4318 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3399 -6.5425 -1.9898 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6820 -3.9425 -1.6474 H 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8163 -7.1034 -1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5722 -4.7343 -0.6304 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1701 -7.2380 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8300 -6.9765 -2.5544 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6631 -7.1690 -1.5375 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4077 -9.5239 -2.1472 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9006 -10.0139 0.4722 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6600 -8.8749 0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5136 -5.9115 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5338 -7.8406 1.4379 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6981 -8.8654 3.4177 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4046 -10.6907 1.7143 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3185 -9.3106 0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4958 -10.8075 -0.1783 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5552 -7.8780 2.6983 H 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8522 -9.1147 0.4514 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1601 -8.2997 0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5774 -7.5989 1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6577 -4.0099 0.1683 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0808 -6.4894 -0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9123 -5.4699 -0.9424 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9155 -8.2329 2.0184 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0766 -7.5513 0.9147 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6780 -6.9857 3.3021 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5861 -5.8939 -0.2667 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9973 -5.0597 1.9875 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3193 -5.8429 1.5048 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4740 -4.7173 2.5743 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9809 -7.1457 1.9811 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8270 -6.1245 1.2483 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0023 -5.4308 0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9125 -8.9385 -1.4737 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2374 -9.3522 -0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4116 -8.6461 -1.2148 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7726 -9.9758 -2.5047 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2577 -7.6250 -1.9478 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 40 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 9 1 0 0 0 0\n 3 25 1 0 0 0 0\n 3 40 1 0 0 0 0\n 4 25 1 0 0 0 0\n 5 7 1 0 0 0 0\n 6 29 1 0 0 0 0\n 7 21 1 0 0 0 0\n 7 29 1 0 0 0 0\n 7 40 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 24 1 0 0 0 0\n 9 38 1 0 0 0 0\n 10 38 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 17 1 0 0 0 0\n 12 27 1 0 0 0 0\n 12 38 1 0 0 0 0\n 13 24 1 0 0 0 0\n 14 27 1 0 0 0 0\n 15 26 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 26 1 0 0 0 0\n 17 37 1 0 0 0 0\n 18 37 1 0 0 0 0\n 19 22 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 21 37 1 0 0 0 0\n 22 26 1 0 0 0 0\n 22 34 1 0 0 0 0\n 23 35 1 0 0 0 0\n 24 27 1 0 0 0 0\n 24 35 1 0 0 0 0\n 25 29 1 0 0 0 0\n 25 35 1 0 0 0 0\n 26 33 1 0 0 0 0\n 27 33 1 0 0 0 0\n 28 33 1 0 0 0 0\n 29 34 1 0 0 0 0\n 30 34 1 0 0 0 0\n 31 32 1 0 0 0 0\n 31 33 1 0 0 0 0\n 31 35 1 0 0 0 0\n 36 37 1 0 0 0 0\n 36 38 1 0 0 0 0\n 36 39 1 0 0 0 0\n 36 40 1 0 0 0 0\n 31 34 1 0 0 0 0\nM END\n> <atomid>\n19\n\n> <bondid>\n27\n\n> <group>\n3D Templates\n\n> <prerender>\nlibrary.svg#tmpl265\n\n$$$$\nCo4CO12\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 28 33 0 0 0 999 V2000\n 11.5119 -6.3872 0.2843 Co 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2537 -5.1567 0.9962 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1271 -4.1574 -1.8138 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1405 -4.5859 2.5258 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.6477 -4.5559 1.3649 O 0 0 0 0 0 3 0 0 0 0 0 0\n 10.9606 -3.0390 -2.8593 O 0 0 0 0 0 3 0 0 0 0 0 0\n 9.4644 -3.6875 3.6182 O 0 0 0 0 0 3 0 0 0 0 0 0\n 10.6811 -11.2763 3.0909 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1263 -9.1532 3.4762 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6597 -11.9110 3.5304 O 0 0 0 0 0 3 0 0 0 0 0 0\n 11.3435 -8.7342 4.0978 O 0 0 0 0 0 3 0 0 0 0 0 0\n 8.4053 -7.8212 -2.1068 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9144 -10.0973 -2.4249 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1429 -7.1175 -2.4596 O 0 0 0 0 0 3 0 0 0 0 0 0\n 7.4262 -10.5365 -2.9426 O 0 0 0 0 0 3 0 0 0 0 0 0\n 14.0567 -9.1427 -1.5415 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7234 -11.1613 -1.8250 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5969 -8.6889 -1.7190 O 0 0 0 0 0 3 0 0 0 0 0 0\n 14.0925 -11.7138 -2.1238 O 0 0 0 0 0 3 0 0 0 0 0 0\n 7.8227 -9.3450 1.4166 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6523 -9.0552 2.5252 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6963 -10.0134 2.2132 Co 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6352 -10.5336 1.7363 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.6119 -11.0927 3.0899 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9779 -10.0343 -1.2076 Co 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1257 -9.3771 -3.5447 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9140 -9.2088 -1.3937 Co 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3211 -9.1075 -6.0026 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 1 22 1 0 0 0 0\n 1 25 1 0 0 0 0\n 1 27 1 0 0 0 0\n 2 5 3 0 0 0 0\n 4 7 3 0 0 0 0\n 8 10 3 0 0 0 0\n 8 22 1 0 0 0 0\n 9 11 3 0 0 0 0\n 9 22 1 0 0 0 0\n 12 14 3 0 0 0 0\n 12 27 1 0 0 0 0\n 13 15 3 0 0 0 0\n 13 27 1 0 0 0 0\n 16 18 3 0 0 0 0\n 16 25 1 0 0 0 0\n 17 19 3 0 0 0 0\n 17 25 1 0 0 0 0\n 20 21 2 0 0 0 0\n 20 22 1 0 0 0 0\n 20 27 1 0 0 0 0\n 22 23 1 0 0 0 0\n 22 25 1 0 0 0 0\n 22 27 1 0 0 0 0\n 23 24 2 0 0 0 0\n 23 25 1 0 0 0 0\n 25 26 1 0 0 0 0\n 25 27 1 0 0 0 0\n 26 27 1 0 0 0 0\n 26 28 2 0 0 0 0\n 3 6 3 0 0 0 0\nM END\n> <atomid>\n0\n\n> <bondid>\n4\n\n> <group>\n3D Templates\n\n> <prerender>\nlibrary.svg#tmpl266\n\n$$$$\nFeCO5\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 11 10 0 0 0 999 V2000\n 10.8202 -7.3426 0.0023 Fe 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9246 -7.3587 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7011 -7.0667 -1.5928 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7827 -7.6197 1.5703 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8213 -5.0591 0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8193 -9.6084 -0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4397 -6.8395 -2.8953 O 0 0 0 0 0 3 0 0 0 0 0 0\n 12.5339 -7.8271 2.8412 O 0 0 0 0 0 3 0 0 0 0 0 0\n 7.4162 -7.3784 0.0570 O 0 0 0 0 0 3 0 0 0 0 0 0\n 10.8213 -3.5367 0.5648 O 0 0 0 0 0 3 0 0 0 0 0 0\n 10.8194 -11.1133 -0.5606 O 0 0 0 0 0 3 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 1 5 1 0 0 0 0\n 1 6 1 0 0 0 0\n 2 9 3 0 0 0 0\n 3 7 3 0 0 0 0\n 4 8 3 0 0 0 0\n 6 11 3 0 0 0 0\n 5 10 3 0 0 0 0\nM END\n> <atomid>\n0\n\n> <bondid>\n0\n\n> <group>\n3D Templates\n\n> <prerender>\nlibrary.svg#tmpl267\n\n$$$$\nChlorophyll A\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 71 79 0 0 0 999 V2000\n 11.3221 -15.0514 -29.5828 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2305 -13.9637 -30.5522 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1059 -13.0987 -31.6421 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2769 -12.0678 -31.9997 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0261 -10.6405 -32.9711 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4490 -9.5603 -33.3639 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3289 -8.2505 -34.2571 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7498 -7.5990 -34.3211 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7441 -8.4574 -33.4907 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4825 -8.0571 -33.3382 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5957 -9.1542 -32.3699 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1341 -8.8838 -32.1895 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.7396 -10.0405 -31.2878 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5583 -11.0170 -30.9261 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.7584 -12.4631 -29.9570 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3808 -13.5626 -29.5873 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5088 -14.8558 -28.7128 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0728 -15.5355 -28.6110 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0058 -16.8885 -27.9733 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0886 -14.6273 -29.4323 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7585 -13.1416 -30.2471 N 0 0 0 0 0 3 0 0 0 0 0 0\n 10.9009 -12.4760 -31.3615 N 0 0 0 0 0 4 0 0 0 0 0 0\n 12.0949 -9.9691 -32.6922 N 0 0 0 0 0 3 0 0 0 0 0 0\n 14.9259 -10.6395 -31.5603 N 0 0 0 0 0 4 0 0 0 0 0 0\n 12.9186 -11.5362 -31.4724 Mg 0 0 0 0 0 4 0 0 0 0 0 0\n 13.5390 -18.2856 -26.9337 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3880 -15.6838 -31.4531 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9642 -12.3313 -30.8874 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4960 -13.7478 -32.9395 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8210 -7.6311 -35.0395 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1900 -6.0441 -35.2381 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9034 -5.4078 -35.2032 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.0857 -7.4693 -32.9022 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.4839 -10.2094 -30.7490 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.7720 -11.1118 -31.7098 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.0404 -15.4632 -27.9161 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1151 -16.6720 -27.3536 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3024 -16.5936 -28.5919 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2137 -18.6651 -30.3987 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6234 -17.6524 -29.6841 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8802 -17.6043 -29.3038 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7110 -18.5710 -29.6384 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6710 -14.2462 -30.7495 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2457 -14.2569 -29.2809 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0077 -15.0783 -28.8478 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.7950 -14.5946 -25.7989 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4992 -15.1614 -27.9790 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7321 -14.3398 -28.4070 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6748 -12.8007 -28.3915 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2254 -14.4258 -27.5386 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9849 -15.2471 -27.1029 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0404 -16.7958 -27.1222 H 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5187 -15.3305 -26.2394 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7162 -14.5115 -26.6702 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6570 -12.9703 -26.6494 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1160 -12.3347 -25.3476 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4772 -12.8605 -23.6798 H 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8305 -13.0506 -25.7933 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4219 -12.9260 -26.1739 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1490 -10.7913 -25.3419 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8590 -10.0255 -25.6682 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5716 -7.7185 -25.9970 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0884 -8.2829 -27.4995 H 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8731 -8.4769 -25.6698 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6206 -8.2171 -24.8809 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5885 -6.1725 -25.9962 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7089 -5.4213 -26.3218 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7165 -3.8688 -26.3280 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0177 -1.5849 -26.6649 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0177 -3.1249 -26.6649 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3102 -3.9011 -26.9784 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 20 2 0 0 0 0\n 1 38 1 0 0 0 0\n 2 22 2 0 0 0 0\n 2 43 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 28 1 0 0 0 0\n 3 29 1 0 0 0 0\n 3 43 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 22 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 6 23 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 30 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 31 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 23 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 11 24 1 0 0 0 0\n 12 13 2 0 0 0 0\n 12 33 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 34 1 0 0 0 0\n 14 15 1 0 0 0 0\n 14 24 2 0 0 0 0\n 15 16 2 0 0 0 0\n 16 17 1 0 0 0 0\n 16 21 1 0 0 0 0\n 17 18 2 0 0 0 0\n 17 36 1 0 0 0 0\n 18 19 1 0 0 0 0\n 18 20 1 0 0 0 0\n 19 26 2 0 0 0 0\n 19 38 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 25 1 0 0 0 0\n 22 25 1 0 0 0 0\n 23 25 1 0 0 0 0\n 24 25 1 0 0 0 0\n 27 43 1 0 0 0 0\n 31 32 2 0 0 0 0\n 34 35 1 0 0 0 0\n 37 38 1 0 0 0 0\n 38 41 1 0 0 0 0\n 39 40 1 0 0 0 0\n 40 41 1 0 0 0 0\n 41 42 2 0 0 0 0\n 43 44 1 0 0 0 0\n 44 45 1 0 0 0 0\n 45 48 1 0 0 0 0\n 46 53 1 0 0 0 0\n 46 58 1 0 0 0 0\n 47 48 1 0 0 0 0\n 47 50 1 0 0 0 0\n 48 49 2 0 0 0 0\n 50 51 1 0 0 0 0\n 51 52 1 0 0 0 0\n 51 54 2 0 0 0 0\n 53 54 1 0 0 0 0\n 54 55 1 0 0 0 0\n 56 57 1 0 0 0 0\n 56 58 1 0 0 0 0\n 56 59 1 0 0 0 0\n 56 60 1 0 0 0 0\n 60 61 1 0 0 0 0\n 61 64 1 0 0 0 0\n 62 63 1 0 0 0 0\n 62 64 1 0 0 0 0\n 62 65 1 0 0 0 0\n 62 66 1 0 0 0 0\n 66 67 1 0 0 0 0\n 67 68 1 0 0 0 0\n 68 70 1 0 0 0 0\n 70 71 1 0 0 0 0\n 69 70 1 0 0 0 0\nM CHG 3 21 -1 23 -1 25 2\nM END\n> <atomid>\n31\n\n> <bondid>\n44\n\n> <group>\n3D Templates\n\n> <prerender>\nlibrary.svg#tmpl268\n\n$$$$\nPhenylalanine mustard\n Ketcher 8252313372D 1 1.00000 0.00000 0\n\n 19 19 0 0 0 0 0 0 0 0999 V2000\n 18.7500 -9.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.7500 -9.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.2500 -9.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.7500 -10.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.7500 -10.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2500 -9.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2500 -9.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.7500 -10.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7500 -10.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2500 -9.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2500 -11.6071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2500 -11.6071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 21.2500 -9.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 21.7500 -9.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.7500 -9.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.2500 -8.1429 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 21.7500 -10.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.7500 -10.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.2500 -11.6071 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 2 3 1 0 0 0\n 3 4 2 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 9 11 1 0 0 0\n 8 12 1 1 0 0\n 3 13 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 15 16 1 0 0 0\n 13 17 1 0 0 0\n 17 18 1 0 0 0\n 18 19 1 0 0 0\nM END\n> <atomid>\n0\n\n> <bondid>\n0\n\n> <group>\nAromatics\n\n> <prerender>\nlibrary.svg#tmpl269\n\n$$$$";
1017
+ var templatesRawData$2 = "alpha-D-Allopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.4110 3.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4110 1.6992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2304 0.7587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.0499 1.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2360 3.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.8478 2.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3208 3.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3208 2.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2360 1.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1456 2.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1456 3.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.0499 3.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 6 0 0\n 9 3 1 6 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Altropyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -0.9910 2.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9910 0.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2875 0.0452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5799 0.7935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2834 2.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1462 1.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6372 1.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6372 1.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2834 0.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9337 1.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9337 1.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5799 2.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 1 0 0\n 9 3 1 6 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Arabinofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -1.9332 3.1927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5926 1.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7765 1.1387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7048 3.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.0588 2.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8825 2.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1801 1.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1909 1.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5142 2.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.4573 3.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 1 0 0\n 8 3 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Arabinopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n 15.5611 -5.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5611 -7.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8228 -8.3002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0958 -7.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8228 -5.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6920 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6920 -6.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8228 -7.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9648 -6.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9648 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5 10 1 0 0 0\n 10 9 1 0 0 0\n 9 8 1 0 0 0\n 8 7 1 0 0 0\n 7 6 1 0 0 0\n 6 5 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 1 0 0\n 8 3 1 6 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Erythrofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 1 0 999 V2000\n -2.3742 2.6418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8682 1.1059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4960 1.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7013 2.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0854 2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3125 1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0613 1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3035 2.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8 4 1 0 0 0\n 8 7 1 0 0 0\n 4 5 1 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 1 1 6 0 0\n 6 2 1 6 0 0\n 7 3 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Galactopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.5577 2.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5577 1.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8542 0.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1466 1.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8543 2.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7171 2.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2039 2.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2039 1.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8543 1.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5004 1.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5004 2.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1466 2.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 6 0 0\n 9 3 1 1 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Glucopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.1744 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1744 1.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4708 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7632 1.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4709 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3337 2.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8206 2.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8206 1.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4709 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1170 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1170 2.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7632 2.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 6 0 0\n 9 3 1 1 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Gulopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.1119 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1119 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4083 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7007 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4084 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2712 2.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7581 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7581 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4084 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0545 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0545 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7007 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 6 0 0\n 9 3 1 6 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Idopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.9244 2.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9244 1.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2208 0.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5132 1.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2209 2.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0837 2.2895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5706 2.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5706 1.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2209 1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8670 1.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8670 2.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5132 2.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 1 0 0\n 9 3 1 6 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Lyxofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.1148 2.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6088 1.3976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2406 1.3947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4419 3.1538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2054 2.3397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8260 2.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0531 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8102 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0483 2.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7589 2.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 1 0 0\n 8 3 1 1 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Lyxopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.4513 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4513 1.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7520 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0444 1.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7521 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1017 2.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1017 1.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7521 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3940 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3940 2.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 1 0 0\n 8 3 1 1 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Mannopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.1577 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1577 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4542 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7466 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4543 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3171 2.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8039 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8039 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4543 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1004 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1004 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7466 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 1 0 0\n 9 3 1 1 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Psicofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n 15.0740 -8.2784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3759 -8.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7463 -10.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5700 -10.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6353 -7.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2665 -9.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1656 -7.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4589 -8.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1574 -9.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1460 -9.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8298 -8.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8731 -8.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 1 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 6 0 0\n 9 3 1 6 0 0\n 8 2 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Ribofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -1.8940 2.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3879 1.1893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0198 1.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2211 2.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9845 2.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6051 2.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8322 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5894 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8274 2.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5381 2.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 6 0 0\n 8 3 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Ribopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.1138 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1138 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4145 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7069 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4146 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7642 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7642 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4146 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0565 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0565 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 6 0 0\n 8 3 1 6 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Sorbofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.6290 2.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1517 2.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6232 1.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2529 1.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4552 2.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2290 2.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3092 2.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8384 2.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0642 1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8216 1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0626 2.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7789 2.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 0 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 1 0 0\n 9 3 1 6 0 0\n 8 2 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Tagatofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.3790 2.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9017 2.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3732 0.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0029 0.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2052 2.7179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9790 1.9032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0592 2.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5884 2.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8142 1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5716 1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8126 2.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5289 2.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 0 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 1 0 0\n 9 3 1 1 0 0\n 8 2 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Talopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.9910 2.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9910 1.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2875 0.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5799 1.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2834 2.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1462 2.4562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6372 2.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6372 1.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2834 1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9337 1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9337 2.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5799 2.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 1 0 0\n 9 3 1 1 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Threofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 1 0 999 V2000\n -2.8117 2.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3057 1.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9335 1.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1388 2.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5229 2.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7458 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5029 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7410 2.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8 4 1 0 0 0\n 8 7 1 0 0 0\n 4 5 1 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 1 1 6 0 0\n 6 2 1 1 0 0\n 7 3 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Xylofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.1648 2.8084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6588 1.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2948 1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4919 3.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2554 2.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8760 2.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0989 1.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8560 1.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0983 2.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8048 2.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 6 0 0\n 8 3 1 1 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Xylopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.5429 3.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5429 1.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8396 0.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1360 1.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8396 3.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1934 2.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1934 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8396 1.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4899 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4899 2.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5 10 1 0 0 0\n 10 9 1 0 0 0\n 9 8 1 0 0 0\n 8 7 1 0 0 0\n 7 6 1 0 0 0\n 6 5 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 6 0 0\n 8 3 1 1 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nCyclopenta-1,3-diene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 9.6696 -5.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6696 -4.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4243 -4.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1804 -4.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1804 -5.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 1 5 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n2\n\n> <bondid>\n1\n\n$$$$\n1H-indene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 7.1899 -4.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1899 -5.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0555 -5.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9228 -5.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9228 -4.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0555 -3.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8731 -5.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4601 -4.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8731 -3.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 6 1 0 0 0\n 1 6 2 0 0 0\n 4 7 1 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 5 9 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n6\n\n> <bondid>\n7\n\n$$$$\nNaphtalene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 11.0090 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1429 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1429 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0090 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8751 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8751 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7410 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7410 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6071 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6071 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 6 2 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 8 1 0 0 0\n 7 10 2 0 0 0\n 8 9 2 0 0 0\n 9 10 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n6\n\n> <bondid>\n10\n\n$$$$\nAzulene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 12.4941 -7.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2759 -5.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4941 -5.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5192 -5.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0853 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5192 -7.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2270 -5.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2759 -6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2270 -7.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8147 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 8 2 0 0 0\n 1 6 1 0 0 0\n 2 3 1 0 0 0\n 3 4 2 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 7 2 2 0 0 0\n 7 10 1 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 2 8 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n4\n\n> <bondid>\n4\n\n$$$$\nE-Stilbene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 15 0 0 0 999 V2000\n 10.8250 -2.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8250 -2.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3250 -3.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8249 -4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8249 -4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3250 -3.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3250 -3.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8250 -4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8250 -4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3250 -5.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3250 -5.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8250 -4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3250 -3.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3250 -3.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 6 2 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 14 9 1 0 0 0\n 10 9 2 0 0 0\n 10 11 1 0 0 0\n 11 12 2 0 0 0\n 12 13 1 0 0 0\n 13 14 2 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n2\n\n> <bondid>\n3\n\n$$$$\nZ-Stilbene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 15 0 0 0 999 V2000\n 12.3750 -3.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3750 -3.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8750 -4.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3749 -5.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3749 -5.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8750 -4.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8750 -3.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8750 -3.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3750 -3.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8750 -4.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3750 -5.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3750 -5.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8750 -4.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3750 -3.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 6 2 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 6 1 0 0 0\n 1 7 1 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 9 14 2 0 0 0\n 10 11 2 0 0 0\n 11 12 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n3\n\n> <bondid>\n3\n\n$$$$\nAnthracene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 16 0 0 0 999 V2000\n 8.0930 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2269 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2269 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0930 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9591 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9591 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8250 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8250 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6911 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6911 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5571 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5571 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4231 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4231 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 6 2 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 8 1 0 0 0\n 7 10 2 0 0 0\n 8 9 2 0 0 0\n 11 10 1 0 0 0\n 9 10 1 0 0 0\n 9 12 1 0 0 0\n 11 14 2 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n10\n\n> <bondid>\n15\n\n$$$$\nPhenantrene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 16 0 0 0 999 V2000\n 10.7760 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9099 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9099 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7760 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6420 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6420 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5080 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5080 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3740 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3740 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5080 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3740 -5.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2401 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2401 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 6 2 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 8 1 0 0 0\n 7 10 2 0 0 0\n 9 10 1 0 0 0\n 8 11 2 0 0 0\n 8 9 1 0 0 0\n 9 14 2 0 0 0\n 11 12 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nPyrene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 16 19 0 0 0 999 V2000\n 13.2084 -1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2084 -2.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0732 -3.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9399 -2.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9399 -1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0732 -1.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0732 -4.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9399 -4.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8066 -4.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8066 -3.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3434 -3.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3434 -4.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2084 -4.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2065 -5.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0732 -6.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9399 -5.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 1 6 1 0 0 0\n 3 7 2 0 0 0\n 7 8 1 0 0 0\n 8 9 2 0 0 0\n 9 10 1 0 0 0\n 4 10 2 0 0 0\n 2 11 1 0 0 0\n 11 12 2 0 0 0\n 12 13 1 0 0 0\n 7 13 1 0 0 0\n 13 14 2 0 0 0\n 14 15 1 0 0 0\n 15 16 2 0 0 0\n 8 16 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n10\n\n> <bondid>\n12\n\n$$$$\nTriphenylene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 21 0 0 0 999 V2000\n 10.5140 -3.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5140 -4.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3807 -4.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2474 -4.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2474 -3.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3807 -2.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6491 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7859 -3.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7859 -4.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6491 -4.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1141 -2.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1141 -1.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2474 -1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3807 -1.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3807 -5.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2474 -6.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1141 -5.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1141 -4.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 2 3 1 0 0 0\n 3 4 2 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 1 6 1 0 0 0\n 1 7 1 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 2 10 1 0 0 0\n 5 11 1 0 0 0\n 11 12 2 0 0 0\n 12 13 1 0 0 0\n 13 14 2 0 0 0\n 6 14 1 0 0 0\n 3 15 1 0 0 0\n 15 16 2 0 0 0\n 16 17 1 0 0 0\n 17 18 2 0 0 0\n 4 18 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n7\n\n> <bondid>\n8\n\n$$$$\nTriptycene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 20 24 0 0 0 999 V2000\n 9.9580 -4.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9460 -4.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4637 -3.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5123 -3.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9580 -2.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5123 -2.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3265 -3.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8129 -4.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5262 -5.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3987 -5.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9317 -4.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3151 -3.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4284 -3.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6530 -3.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1683 -4.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0407 -4.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5412 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7350 -0.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4524 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7528 -1.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 1 5 1 0 0 0\n 5 6 2 0 0 0\n 4 6 1 0 0 0\n 4 7 1 0 0 0\n 1 8 1 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\n 11 12 2 0 0 0\n 7 12 1 0 0 0\n 3 13 1 0 0 0\n 13 14 2 0 0 0\n 14 15 1 0 0 0\n 15 16 2 0 0 0\n 2 16 1 0 0 0\n 5 17 1 0 0 0\n 17 18 2 0 0 0\n 18 19 1 0 0 0\n 19 20 2 0 0 0\n 6 20 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n18\n\n> <bondid>\n21\n\n$$$$\n14-Annulene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 14 0 0 0 999 V2000\n 12.0122 -0.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1483 -1.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1861 -2.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8762 -2.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8762 -1.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3221 -2.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3221 -3.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1861 -4.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9139 -4.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7779 -3.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7779 -2.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1861 -5.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0500 -5.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9139 -5.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 5 2 0 0 0\n 2 3 2 0 0 0\n 4 5 1 0 0 0\n 3 6 1 0 0 0\n 6 7 2 0 0 0\n 7 8 1 0 0 0\n 4 11 2 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\n 14 9 1 0 0 0\n 8 12 2 0 0 0\n 12 13 1 0 0 0\n 13 14 2 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\n18-Annulene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 9.2590 6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3930 5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3930 4.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1250 5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9910 6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8570 4.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8570 5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8570 2.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7230 3.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7230 4.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5270 4.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5270 3.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3930 2.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3930 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2590 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1250 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9910 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8570 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 1 4 1 0 0 0\n 2 3 1 0 0 0\n 5 4 2 0 0 0\n 5 7 1 0 0 0\n 6 7 2 0 0 0\n 6 10 1 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 3 11 2 0 0 0\n 11 12 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\n 14 15 2 0 0 0\n 15 16 1 0 0 0\n 16 17 2 0 0 0\n 18 8 2 0 0 0\n 17 18 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nPorphyrin\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 24 28 0 0 0 999 V2000\n 6.4862 -8.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1697 -9.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0926 -8.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9419 -7.9790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9418 -7.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1979 -4.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4907 -5.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9262 -6.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8876 -5.8394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0931 -4.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4706 -6.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4476 -5.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7641 -4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8408 -4.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0279 -5.8563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9564 -5.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9807 -4.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8077 -9.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4794 -8.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0074 -7.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0106 -7.9610 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8407 -8.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9886 -9.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4636 -6.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 2 3 1 0 0 0\n 3 4 2 0 0 0\n 4 5 1 0 0 0\n 1 5 1 0 0 0\n 5 11 2 0 0 0\n 3 23 1 0 0 0\n 6 7 1 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 6 10 2 0 0 0\n 10 17 1 0 0 0\n 8 11 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 15 16 2 0 0 0\n 12 16 1 0 0 0\n 16 24 1 0 0 0\n 14 17 2 0 0 0\n 18 19 2 0 0 0\n 19 20 1 0 0 0\n 20 21 1 0 0 0\n 21 22 1 0 0 0\n 18 22 1 0 0 0\n 22 23 2 0 0 0\n 20 24 2 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n10\n\n> <bondid>\n0\n\n$$$$\nPhthalocyanine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 40 48 0 0 0 999 V2000\n 13.9159 -3.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8818 -3.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5888 -3.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3301 -4.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3641 -5.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9102 -6.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3641 -7.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9102 -7.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3641 -8.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3301 -9.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5888 -10.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8818 -10.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9159 -10.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6571 -9.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7660 -9.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9224 -8.0474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8750 -9.4891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9840 -9.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0929 -9.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8341 -10.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8682 -10.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1612 -10.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4199 -9.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3859 -8.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8398 -7.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8276 -8.0474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3859 -7.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8398 -6.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3859 -5.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4199 -4.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1612 -3.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8682 -3.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8341 -3.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0929 -4.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9840 -4.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8276 -5.9526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8750 -4.5109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7660 -4.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9224 -5.9526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6571 -4.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 2 3 1 0 0 0\n 3 4 2 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 2 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\n 11 12 2 0 0 0\n 12 13 1 0 0 0\n 13 14 2 0 0 0\n 9 14 1 0 0 0\n 14 15 1 0 0 0\n 15 16 1 0 0 0\n 8 16 2 0 0 0\n 15 17 2 0 0 0\n 17 18 1 0 0 0\n 18 19 2 0 0 0\n 19 20 1 0 0 0\n 20 21 2 0 0 0\n 21 22 1 0 0 0\n 22 23 2 0 0 0\n 23 24 1 0 0 0\n 19 24 1 0 0 0\n 24 25 2 0 0 0\n 25 26 1 0 0 0\n 18 26 1 0 0 0\n 25 27 1 0 0 0\n 27 28 2 0 0 0\n 28 29 1 0 0 0\n 29 30 2 0 0 0\n 30 31 1 0 0 0\n 31 32 2 0 0 0\n 32 33 1 0 0 0\n 33 34 2 0 0 0\n 29 34 1 0 0 0\n 34 35 1 0 0 0\n 35 36 2 0 0 0\n 28 36 1 0 0 0\n 35 37 1 0 0 0\n 37 38 2 0 0 0\n 38 39 1 0 0 0\n 6 39 1 0 0 0\n 38 40 1 0 0 0\n 1 40 1 0 0 0\n 5 40 2 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nC60\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 60 90 0 0 0 999 V2000\n 10.6305 -3.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4365 -3.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8444 -4.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4219 -5.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5101 -5.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5398 -3.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6243 -3.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6091 -4.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2501 -2.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0714 -2.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6279 -4.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2354 -2.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7973 -2.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4171 -1.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9548 -0.9954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1712 -1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7491 -4.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3544 -3.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8607 -5.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0881 -2.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1915 -1.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6908 -3.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7895 -2.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5564 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2017 -6.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0400 -6.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6031 -6.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3296 -5.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6757 -4.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1284 -6.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5026 -6.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7601 -5.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6003 -5.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1810 -6.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8290 -5.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0080 -7.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3450 -7.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7432 -6.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1088 -6.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8830 -6.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6700 -4.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0651 -5.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2290 -6.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4556 -3.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6990 -2.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8777 -3.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8635 -4.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4704 -2.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0974 -1.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2911 -1.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1183 -1.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6963 -2.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5507 -3.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9700 -2.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2594 -1.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4391 -3.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0504 -5.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2122 -5.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9459 -4.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6724 -4.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 1 3 1 0 0 0\n 1 12 1 0 0 0\n 2 4 1 0 0 0\n 2 6 1 0 0 0\n 3 11 2 0 0 0\n 3 35 1 0 0 0\n 4 5 2 0 0 0\n 4 33 1 0 0 0\n 5 8 1 0 0 0\n 5 38 1 0 0 0\n 6 7 2 0 0 0\n 6 13 1 0 0 0\n 7 8 1 0 0 0\n 7 54 1 0 0 0\n 8 59 2 0 0 0\n 9 10 2 0 0 0\n 9 11 1 0 0 0\n 9 20 1 0 0 0\n 10 12 1 0 0 0\n 10 14 1 0 0 0\n 11 19 1 0 0 0\n 12 13 2 0 0 0\n 13 16 1 0 0 0\n 14 15 2 0 0 0\n 14 21 1 0 0 0\n 15 16 1 0 0 0\n 15 50 1 0 0 0\n 16 55 2 0 0 0\n 17 18 1 0 0 0\n 17 19 2 0 0 0\n 17 28 1 0 0 0\n 18 20 2 0 0 0\n 18 22 1 0 0 0\n 19 27 1 0 0 0\n 20 21 1 0 0 0\n 21 24 2 0 0 0\n 22 23 2 0 0 0\n 22 29 1 0 0 0\n 23 24 1 0 0 0\n 23 46 1 0 0 0\n 24 51 1 0 0 0\n 25 26 1 0 0 0\n 25 27 2 0 0 0\n 25 36 1 0 0 0\n 26 28 2 0 0 0\n 26 30 1 0 0 0\n 27 35 1 0 0 0\n 28 29 1 0 0 0\n 29 32 2 0 0 0\n 30 31 2 0 0 0\n 30 37 1 0 0 0\n 31 32 1 0 0 0\n 31 42 1 0 0 0\n 32 47 1 0 0 0\n 33 34 1 0 0 0\n 33 35 2 0 0 0\n 34 36 2 0 0 0\n 34 38 1 0 0 0\n 36 37 1 0 0 0\n 37 40 2 0 0 0\n 38 39 2 0 0 0\n 39 40 1 0 0 0\n 39 58 1 0 0 0\n 40 43 1 0 0 0\n 41 42 1 0 0 0\n 41 44 2 0 0 0\n 41 47 1 0 0 0\n 42 43 2 0 0 0\n 43 57 1 0 0 0\n 44 48 1 0 0 0\n 44 60 1 0 0 0\n 45 46 1 0 0 0\n 45 48 2 0 0 0\n 45 51 1 0 0 0\n 46 47 2 0 0 0\n 48 52 1 0 0 0\n 49 50 1 0 0 0\n 49 52 2 0 0 0\n 49 55 1 0 0 0\n 50 51 2 0 0 0\n 52 56 1 0 0 0\n 53 54 2 0 0 0\n 53 56 1 0 0 0\n 53 59 1 0 0 0\n 54 55 1 0 0 0\n 56 60 2 0 0 0\n 57 58 2 0 0 0\n 57 60 1 0 0 0\n 58 59 1 0 0 0\nM END\n> <group>\nAromatics\n\n$$$$\nC80\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 80120 0 0 0 999 V2000\n 11.8140 -5.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5730 -4.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3980 -3.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3673 -3.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8724 -5.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8224 -5.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6539 -5.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4150 -4.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9660 -2.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7771 -1.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0084 -2.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3368 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7715 -2.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5128 -1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3575 -1.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1355 -0.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8558 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6671 -4.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4256 -3.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1773 -3.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0790 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2783 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7476 -1.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7551 -0.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3396 0.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9755 0.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7881 0.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0200 0.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5229 -1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3638 -0.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1415 -0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7930 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6051 -0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0017 -1.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6029 -2.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2792 -3.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3934 -0.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8243 -2.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5823 -2.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0719 -3.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3761 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5941 -0.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4269 -0.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8338 -1.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0674 -4.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5676 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3874 -3.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7983 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7257 -4.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1077 -6.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8850 -5.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4555 -6.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4785 -3.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8925 -4.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7361 -4.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1144 -5.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9102 -6.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4615 -6.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2725 -6.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2295 -6.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1717 -6.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5034 -4.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9729 -5.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4956 -5.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2845 -3.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2423 -4.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4737 -4.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9139 -5.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4340 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8516 -2.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6760 -1.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8824 -2.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1818 -1.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8621 -2.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6814 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4502 -0.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6453 -5.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6473 -3.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2489 -4.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9708 -3.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 1 5 1 0 0 0\n 1 48 1 0 0 0\n 2 3 1 0 0 0\n 2 4 1 0 0 0\n 3 11 2 0 0 0\n 3 47 1 0 0 0\n 4 8 2 0 0 0\n 4 9 1 0 0 0\n 5 7 2 0 0 0\n 5 59 1 0 0 0\n 6 7 1 0 0 0\n 6 17 2 0 0 0\n 6 60 1 0 0 0\n 7 8 1 0 0 0\n 8 19 1 0 0 0\n 9 10 2 0 0 0\n 9 13 1 0 0 0\n 10 11 1 0 0 0\n 10 12 1 0 0 0\n 11 23 1 0 0 0\n 12 16 2 0 0 0\n 12 21 1 0 0 0\n 13 15 2 0 0 0\n 13 19 1 0 0 0\n 14 15 1 0 0 0\n 14 20 2 0 0 0\n 14 29 1 0 0 0\n 15 16 1 0 0 0\n 16 31 1 0 0 0\n 17 18 1 0 0 0\n 17 77 1 0 0 0\n 18 19 2 0 0 0\n 18 20 1 0 0 0\n 20 80 1 0 0 0\n 21 22 2 0 0 0\n 21 25 1 0 0 0\n 22 23 1 0 0 0\n 22 24 1 0 0 0\n 23 35 2 0 0 0\n 24 28 2 0 0 0\n 24 33 1 0 0 0\n 25 27 1 0 0 0\n 25 31 2 0 0 0\n 26 27 2 0 0 0\n 26 32 1 0 0 0\n 26 41 1 0 0 0\n 27 28 1 0 0 0\n 28 43 1 0 0 0\n 29 30 2 0 0 0\n 29 73 1 0 0 0\n 30 31 1 0 0 0\n 30 32 1 0 0 0\n 32 76 2 0 0 0\n 33 34 2 0 0 0\n 33 37 1 0 0 0\n 34 35 1 0 0 0\n 34 36 1 0 0 0\n 35 47 1 0 0 0\n 36 40 1 0 0 0\n 36 45 2 0 0 0\n 37 39 2 0 0 0\n 37 43 1 0 0 0\n 38 39 1 0 0 0\n 38 44 2 0 0 0\n 38 53 1 0 0 0\n 39 40 1 0 0 0\n 40 55 2 0 0 0\n 41 42 1 0 0 0\n 41 69 2 0 0 0\n 42 43 2 0 0 0\n 42 44 1 0 0 0\n 44 72 1 0 0 0\n 45 46 1 0 0 0\n 45 49 1 0 0 0\n 46 47 2 0 0 0\n 46 48 1 0 0 0\n 48 52 2 0 0 0\n 49 51 2 0 0 0\n 49 55 1 0 0 0\n 50 51 1 0 0 0\n 50 56 1 0 0 0\n 50 57 2 0 0 0\n 51 52 1 0 0 0\n 52 59 1 0 0 0\n 53 54 2 0 0 0\n 53 65 1 0 0 0\n 54 55 1 0 0 0\n 54 56 1 0 0 0\n 56 68 2 0 0 0\n 57 58 1 0 0 0\n 57 61 1 0 0 0\n 58 59 2 0 0 0\n 58 60 1 0 0 0\n 60 64 2 0 0 0\n 61 63 2 0 0 0\n 61 68 1 0 0 0\n 62 63 1 0 0 0\n 62 66 1 0 0 0\n 62 78 2 0 0 0\n 63 64 1 0 0 0\n 64 77 1 0 0 0\n 65 67 2 0 0 0\n 65 72 1 0 0 0\n 66 67 1 0 0 0\n 66 70 2 0 0 0\n 67 68 1 0 0 0\n 69 71 1 0 0 0\n 69 76 1 0 0 0\n 70 71 1 0 0 0\n 70 74 1 0 0 0\n 71 72 2 0 0 0\n 73 75 1 0 0 0\n 73 80 2 0 0 0\n 74 75 2 0 0 0\n 74 78 1 0 0 0\n 75 76 1 0 0 0\n 77 79 2 0 0 0\n 78 79 1 0 0 0\n 79 80 1 0 0 0\nM END\n> <group>\nAromatics\n\n$$$$\nbeta-D-Allopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.8119 2.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8119 1.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1792 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5466 1.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1834 2.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1462 2.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4956 2.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4956 1.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1834 1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8670 1.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8670 2.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5466 2.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 6 0 0\n 9 3 1 6 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Altropyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -0.9910 2.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9910 0.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2875 0.0452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5799 0.7935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2834 2.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1462 1.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6372 1.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6372 1.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2834 0.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9337 1.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9337 1.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5799 2.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 1 0 0\n 9 3 1 6 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Arabinofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -1.4482 2.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9421 0.8559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5781 0.8530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7753 2.6122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5387 1.7980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1593 2.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3822 1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1394 1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3816 2.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0881 2.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 1 0 0\n 8 3 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Arabinopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n 15.5611 -5.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5611 -7.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8228 -8.3002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0958 -7.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8228 -5.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6920 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6920 -6.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8228 -7.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9648 -6.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9648 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5 10 1 0 0 0\n 10 9 1 0 0 0\n 9 8 1 0 0 0\n 8 7 1 0 0 0\n 7 6 1 0 0 0\n 6 5 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 1 0 0\n 8 3 1 6 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Erythrofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 1 0 999 V2000\n -2.3742 2.6418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8682 1.1059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4960 1.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7013 2.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0854 2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3125 1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0613 1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3035 2.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8 4 1 0 0 0\n 8 7 1 0 0 0\n 4 5 1 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 1 1 1 0 0\n 6 2 1 6 0 0\n 7 3 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Fructofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.6256 2.7205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1524 2.2530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6198 1.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2536 1.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4559 2.9509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2256 2.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3100 3.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8350 2.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0608 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8182 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0592 2.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7755 2.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 0 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 6 0 0\n 9 3 1 1 0 0\n 8 2 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Galactopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.5577 2.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5577 1.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8542 0.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1466 1.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8543 2.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7171 2.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2039 2.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2039 1.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8543 1.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5004 1.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5004 2.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1466 2.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 6 0 0\n 9 3 1 1 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Glucopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.1744 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1744 1.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4708 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7632 1.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4709 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3337 2.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8206 2.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8206 1.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4709 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1170 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1170 2.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7632 2.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 6 0 0\n 9 3 1 1 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Gulopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.1119 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1119 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4083 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7007 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4084 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2712 2.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7581 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7581 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4084 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0545 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0545 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7007 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 6 0 0\n 9 3 1 6 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Idopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.9244 2.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9244 1.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2208 0.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5132 1.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2209 2.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0837 2.2895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5706 2.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5706 1.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2209 1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8670 1.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8670 2.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5132 2.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 1 0 0\n 9 3 1 6 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Lyxofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.1148 2.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6088 1.3976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2406 1.3947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4419 3.1538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2054 2.3397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8260 2.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0531 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8102 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0483 2.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7589 2.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 1 0 0\n 8 3 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Lyxopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.4513 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4513 1.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7520 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0444 1.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7521 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1017 2.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1017 1.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7521 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3940 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3940 2.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 1 0 0\n 8 3 1 1 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Mannopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.1577 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1577 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4542 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7466 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4543 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3171 2.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8039 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8039 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4543 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1004 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1004 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7466 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 1 0 0\n 9 3 1 1 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Psicofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n 14.8241 -7.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1260 -7.7777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4964 -9.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3201 -9.1940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3854 -6.8457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0166 -7.9337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9157 -6.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2090 -7.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9075 -8.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8961 -8.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5799 -7.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6232 -7.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 6 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 6 0 0\n 9 3 1 6 0 0\n 8 2 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Ribofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -1.8940 2.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3879 1.1893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0198 1.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2211 2.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9845 2.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6051 2.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8322 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5894 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8274 2.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5381 2.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 6 0 0\n 8 3 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Ribopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.1138 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1138 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4145 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7069 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4146 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7642 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7642 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4146 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0565 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0565 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 6 0 0\n 8 3 1 6 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Sorbofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.6290 2.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1517 2.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6232 1.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2529 1.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4552 2.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2290 2.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3092 2.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8384 2.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0642 1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8216 1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0626 2.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7789 2.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 0 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 1 0 0\n 9 3 1 6 0 0\n 8 2 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Tagatofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.3790 2.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9017 2.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3732 0.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0029 0.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2052 2.7179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9790 1.9032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0592 2.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5884 2.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8142 1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5716 1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8126 2.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5289 2.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 0 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 1 0 0\n 9 3 1 1 0 0\n 8 2 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Talopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.9910 2.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9910 1.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2875 0.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5799 1.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2834 2.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1462 2.4562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6372 2.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6372 1.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2834 1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9337 1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9337 2.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5799 2.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 1 0 0\n 9 3 1 1 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Threofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 1 0 999 V2000\n -2.8117 2.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3057 1.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9335 1.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1388 2.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5229 2.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7458 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5029 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7410 2.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8 4 1 0 0 0\n 8 7 1 0 0 0\n 4 5 1 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 1 1 1 0 0\n 6 2 1 1 0 0\n 7 3 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Xylofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.1648 2.8084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6588 1.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2948 1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4919 3.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2554 2.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8760 2.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0989 1.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8560 1.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0983 2.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8048 2.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 6 0 0\n 8 3 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Xylopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.5429 3.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5429 1.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8396 0.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1360 1.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8396 3.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1934 2.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1934 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8396 1.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4899 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4899 2.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5 10 1 0 0 0\n 10 9 1 0 0 0\n 9 8 1 0 0 0\n 8 7 1 0 0 0\n 7 6 1 0 0 0\n 6 5 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 6 0 0\n 8 3 1 1 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nBicyclo[1-1-1]pentane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 6 0 0 0 999 V2000\n 9.8610 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4888 -6.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5708 -7.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8036 -8.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9790 -7.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 4 5 1 0 0 0\n 1 5 1 0 0 0\n 4 3 1 0 0 0\n 2 4 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n2\n\n> <bondid>\n1\n\n$$$$\nBicyclo[2-1-1]hexane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 7 0 0 0 999 V2000\n 9.7097 -6.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3181 -5.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4180 -6.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6494 -7.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7820 -7.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4069 -7.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 3 6 1 0 0 0\n 4 5 1 0 0 0\n 4 6 1 0 0 0\n 1 5 1 0 0 0\n 2 4 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n5\n\n> <bondid>\n2\n\n$$$$\nBicyclo[2-2-1]heptane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 8 0 0 0 999 V2000\n 8.4502 -7.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8558 -6.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5667 -6.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3112 -7.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3890 -5.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4498 -6.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1221 -7.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 1 4 1 0 0 0\n 4 5 1 0 0 0\n 5 3 1 0 0 0\n 3 6 1 0 0 0\n 6 7 1 0 0 0\n 7 4 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n6\n\n$$$$\nBicyclo[3-1-1]heptane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 8 0 0 0 999 V2000\n 8.2782 -1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5291 -2.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9238 -2.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7847 -2.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6209 -1.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3670 -1.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6898 -3.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\n 1 6 1 0 0 0\n 6 2 1 0 0 0\n 1 7 1 0 0 0\n 7 4 1 0 0 0\n 4 3 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nBicyclo[2-2-2]octane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 9 0 0 0 999 V2000\n 10.8583 -6.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9678 -6.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6767 -5.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9692 -6.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1340 -4.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7980 -5.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8417 -5.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8429 -4.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 6 1 0 0 0\n 4 7 1 0 0 0\n 5 8 1 0 0 0\n 6 7 1 0 0 0\n 6 8 1 0 0 0\n 5 2 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[3-2-1]octane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 9 0 0 0 999 V2000\n 9.0974 -5.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4087 -6.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7744 -6.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5802 -6.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4086 -5.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2389 -5.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9413 -6.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7036 -6.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\n 1 6 1 0 0 0\n 6 2 1 0 0 0\n 4 7 1 0 0 0\n 1 8 1 0 0 0\n 7 8 1 0 0 0\n 4 3 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n7\n\n$$$$\nBicyclo[4-1-1]octane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 9 0 0 0 999 V2000\n 9.6925 -6.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0458 -6.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3397 -7.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2905 -6.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9462 -6.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7017 -6.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0038 -6.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8230 -5.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 1 1 0 0 0\n 7 2 1 0 0 0\n 8 1 1 0 0 0\n 1 7 1 0 0 0\n 8 2 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n2\n\n$$$$\nBicyclo[4-1-1]octane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 9 0 0 0 999 V2000\n 10.2044 -7.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5546 -7.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4884 -7.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8148 -7.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4736 -7.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2224 -6.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3764 -8.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3337 -6.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 1 1 0 0 0\n 7 2 1 0 0 0\n 8 1 1 0 0 0\n 1 7 1 0 0 0\n 8 2 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n2\n\n$$$$\nBicyclo[3-2-2]nonane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 8.9873 -5.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9396 -4.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9753 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0774 -6.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5071 -5.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2317 -7.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8683 -7.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5608 -6.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5275 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 1 4 1 0 0 0\n 2 5 1 0 0 0\n 3 6 1 0 0 0\n 4 7 1 0 0 0\n 5 8 1 0 0 0\n 6 9 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n5\n\n> <bondid>\n5\n\n$$$$\nBicyclo[3-3-1]nonane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 8.9718 -5.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8721 -5.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4727 -5.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5289 -7.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5522 -7.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0453 -6.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7203 -6.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3240 -5.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6297 -4.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 1 6 1 0 0 0\n 7 8 1 0 0 0\n 8 3 1 0 0 0\n 3 9 1 0 0 0\n 9 1 1 0 0 0\n 1 2 1 0 0 0\n 2 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n4\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-2-1]nonane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 9.1712 -6.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1464 -6.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8839 -5.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6571 -5.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6761 -5.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9410 -6.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9661 -6.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7138 -6.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9410 -4.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 6 9 1 0 0 0\n 9 5 1 0 0 0\n 8 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n9\n\n$$$$\nBicyclo[4-2-1]nonane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 9.8115 -5.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9067 -6.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8460 -5.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6107 -5.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6184 -5.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8802 -6.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7040 -6.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6444 -6.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8802 -4.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 6 9 1 0 0 0\n 9 5 1 0 0 0\n 8 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n9\n\n$$$$\nBicyclo[4-2-1]nonane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 7.9553 -6.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1245 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8626 -5.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8073 -5.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6505 -5.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9147 -6.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9374 -6.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6857 -6.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8236 -4.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 8 7 1 0 0 0\n 9 6 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n8\n\n$$$$\nBicyclo[5-1-1]nonane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 7.7834 -6.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6536 -6.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4441 -5.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1897 -5.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3360 -5.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0166 -6.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7177 -6.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6682 -6.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6683 -5.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 3 1 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 2 1 0 0 0\n 3 9 1 0 0 0\n 2 9 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n5\n\n> <bondid>\n4\n\n$$$$\nBicyclo[3-3-2]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 9.6949 -6.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6532 -5.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6838 -7.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8949 -7.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2198 -6.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9375 -8.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5821 -8.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2787 -7.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2352 -7.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0125 -6.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 1 4 1 0 0 0\n 2 5 1 0 0 0\n 3 6 1 0 0 0\n 5 8 1 0 0 0\n 6 9 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 4 10 1 0 0 0\n 10 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n5\n\n> <bondid>\n4\n\n$$$$\nBicyclo[4-2-2]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 8.8472 -8.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7259 -7.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4386 -7.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2848 -6.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3998 -7.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6896 -7.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8114 -8.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5351 -7.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5895 -6.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8736 -6.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 8 7 1 0 0 0\n 10 6 1 0 0 0\n 9 10 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n8\n\n$$$$\nBicyclo[4-2-2]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 8.7142 -6.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8068 -6.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5207 -5.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5526 -5.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4737 -5.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7622 -5.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8793 -6.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6043 -5.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6627 -4.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9456 -4.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 8 7 1 0 0 0\n 10 6 1 0 0 0\n 9 10 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n8\n\n$$$$\nBicyclo[4-2-2]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 8.8948 -6.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1410 -7.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0133 -6.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6416 -5.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5699 -5.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8608 -6.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9867 -6.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7095 -6.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7603 -4.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0456 -5.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 8 7 1 0 0 0\n 10 6 1 0 0 0\n 9 10 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n8\n\n$$$$\nBicyclo[4-3-1]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 9.3349 -6.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2468 -6.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9681 -5.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7891 -5.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8711 -5.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1522 -6.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1339 -6.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6912 -5.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0551 -4.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6319 -5.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 9 6 1 0 0 0\n 10 8 1 0 0 0\n 10 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n9\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-3-1]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 8.8223 -6.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1166 -6.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8745 -6.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5558 -5.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5492 -5.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8328 -6.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6175 -6.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4940 -5.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7350 -4.6265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3255 -5.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 9 6 1 0 0 0\n 10 8 1 0 0 0\n 10 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n9\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-3-1]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 9.4787 -5.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3279 -5.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0029 -5.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0617 -6.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0396 -7.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5557 -6.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1589 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8008 -5.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1673 -4.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6327 -5.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 1 6 1 0 0 0\n 7 8 1 0 0 0\n 8 3 1 0 0 0\n 3 9 1 0 0 0\n 9 1 1 0 0 0\n 1 2 1 0 0 0\n 10 2 1 0 0 0\n 10 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n4\n\n> <bondid>\n10\n\n$$$$\nBicyclo[4-3-1]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 8.5704 -6.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0229 -7.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0468 -6.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2626 -6.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4354 -7.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7455 -6.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6855 -7.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7071 -7.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1753 -5.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0646 -7.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 1 0 0 0\n 8 3 1 0 0 0\n 3 9 1 0 0 0\n 9 1 1 0 0 0\n 1 2 1 0 0 0\n 10 2 1 0 0 0\n 10 7 1 0 0 0\n 1 6 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n4\n\n> <bondid>\n9\n\n$$$$\nBicyclo[5-2-1]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 8.3634 -6.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5495 -7.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5102 -6.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2905 -6.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0719 -5.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2732 -5.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9866 -6.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6733 -7.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5735 -7.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5254 -5.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 4 1 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 3 1 0 0 0\n 4 10 1 0 0 0\n 3 10 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n0\n\n$$$$\nBicyclo[3-3-3]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 9.9074 -6.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8681 -5.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8403 -6.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1527 -6.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4592 -6.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0797 -7.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8576 -7.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5146 -7.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4171 -7.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3203 -6.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7496 -5.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 1 4 1 0 0 0\n 3 6 1 0 0 0\n 5 8 1 0 0 0\n 6 9 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 4 10 1 0 0 0\n 10 7 1 0 0 0\n 11 5 1 0 0 0\n 11 2 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n5\n\n> <bondid>\n3\n\n$$$$\nBicyclo[4-3-2]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 7.6205 -6.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4403 -6.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1378 -5.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0284 -5.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2020 -5.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5071 -6.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5718 -6.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0916 -5.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2122 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1122 -5.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5429 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 10 8 1 0 0 0\n 10 7 1 0 0 0\n 11 6 1 0 0 0\n 11 9 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n9\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-3-2]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 7.3641 -7.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6057 -7.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3457 -7.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0778 -6.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1454 -6.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4502 -7.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2932 -7.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1606 -7.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1660 -5.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0543 -6.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5281 -6.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 10 8 1 0 0 0\n 10 7 1 0 0 0\n 11 6 1 0 0 0\n 11 9 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n9\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-3-2]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 9.7033 -5.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5086 -5.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2474 -5.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3085 -7.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2474 -7.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7831 -6.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3333 -6.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9996 -5.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4180 -4.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7872 -5.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9628 -5.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 1 6 1 0 0 0\n 7 8 1 0 0 0\n 8 3 1 0 0 0\n 9 1 1 0 0 0\n 1 2 1 0 0 0\n 10 2 1 0 0 0\n 10 7 1 0 0 0\n 11 3 1 0 0 0\n 11 9 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n4\n\n> <bondid>\n9\n\n$$$$\nBicyclo[4-3-2]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 9.5890 -6.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0222 -6.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0821 -5.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3408 -5.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5198 -6.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8056 -6.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6729 -6.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7305 -6.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4155 -4.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0302 -6.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7926 -5.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 1 0 0 0\n 8 3 1 0 0 0\n 3 9 1 0 0 0\n 1 2 1 0 0 0\n 10 2 1 0 0 0\n 10 7 1 0 0 0\n 11 1 1 0 0 0\n 11 9 1 0 0 0\n 1 6 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n4\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-4-1]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 7.3728 -6.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5265 -6.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7360 -7.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7807 -7.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6269 -7.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4231 -6.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6410 -5.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3196 -6.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5235 -7.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6773 -7.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2693 -6.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\n 10 9 1 0 0 0\n 5 10 1 0 0 0\n 11 6 1 0 0 0\n 7 5 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-4-1]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 7.9403 -6.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8374 -6.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0510 -7.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1162 -7.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9789 -7.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7711 -6.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9934 -5.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5477 -6.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9126 -7.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0498 -7.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8001 -6.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\n 10 9 1 0 0 0\n 5 10 1 0 0 0\n 11 6 1 0 0 0\n 7 5 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-4-1]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 8.3680 -5.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7511 -6.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9725 -6.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5503 -6.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4446 -5.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2291 -5.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4595 -4.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0708 -5.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4489 -5.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5546 -6.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2957 -5.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\n 10 9 1 0 0 0\n 5 10 1 0 0 0\n 11 6 1 0 0 0\n 7 5 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[5-3-1]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 7.4699 -5.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9044 -6.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8921 -6.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7678 -6.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5569 -5.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3072 -5.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4607 -5.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1456 -5.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8448 -6.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7887 -6.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7825 -4.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 5 1 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 4 1 0 0 0\n 5 11 1 0 0 0\n 4 11 1 0 0 0\n 2 1 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nBicyclo[4-4-2]dodecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 13 0 0 0 999 V2000\n 7.9693 -5.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0472 -5.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2754 -6.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4140 -6.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3360 -6.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1138 -5.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1109 -4.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1806 -5.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4028 -6.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4808 -6.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0361 -5.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3405 -4.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\n 10 9 1 0 0 0\n 5 10 1 0 0 0\n 11 6 1 0 0 0\n 12 5 1 0 0 0\n 12 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-4-2]dodecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 13 0 0 0 999 V2000\n 6.8935 -6.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6766 -5.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9121 -6.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0877 -6.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0396 -6.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8103 -5.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8078 -4.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7709 -5.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1734 -6.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2215 -6.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9457 -6.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0429 -5.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\n 10 9 1 0 0 0\n 5 10 1 0 0 0\n 11 6 1 0 0 0\n 12 5 1 0 0 0\n 12 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-4-2]dodecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 13 0 0 0 999 V2000\n 6.5042 -6.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8305 -7.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0721 -7.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7035 -7.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6802 -6.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4449 -6.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4449 -4.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4564 -6.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8695 -6.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8927 -6.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6100 -6.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6889 -5.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\n 10 9 1 0 0 0\n 5 10 1 0 0 0\n 11 6 1 0 0 0\n 12 5 1 0 0 0\n 12 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[5-3-2]dodecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 13 0 0 0 999 V2000\n 7.9640 -5.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3691 -6.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4082 -6.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3295 -6.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0216 -5.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8969 -5.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1103 -5.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8309 -6.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5145 -6.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4035 -6.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0255 -4.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3287 -5.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 5 1 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 4 1 0 0 0\n 2 1 1 0 0 0\n 11 5 1 0 0 0\n 12 4 1 0 0 0\n 11 12 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nBicyclo[5-4-1]dodecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 13 0 0 0 999 V2000\n 7.7173 -5.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8210 -5.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0428 -6.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1495 -6.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0457 -5.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8297 -5.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5976 -4.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7781 -5.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4790 -5.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1712 -6.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0905 -6.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0605 -4.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 5 1 0 0 0\n 6 12 1 0 0 0\n 5 12 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n8\n\n> <bondid>\n7\n\n$$$$\nBicyclo[5-3-3]tridecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 14 0 0 0 999 V2000\n 8.4981 -5.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2280 -4.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0887 -4.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2012 -4.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4418 -5.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8730 -6.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7468 -5.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9461 -5.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4646 -4.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5590 -4.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1539 -5.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8112 -6.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5669 -6.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0\n 4 3 1 0 0 0\n 2 4 1 0 0 0\n 5 6 1 0 0 0\n 7 1 1 0 0 0\n 8 7 1 0 0 0\n 8 6 1 0 0 0\n 1 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 0 0 0\n 12 13 1 0 0 0\n 13 5 1 0 0 0\n 3 5 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n10\n\n> <bondid>\n9\n\n$$$$\nBicyclo[5-4-2]tridecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 14 0 0 0 999 V2000\n 7.4687 -5.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5107 -5.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7478 -6.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9306 -6.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8885 -6.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6576 -5.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4784 -5.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7402 -5.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4893 -5.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1604 -6.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0052 -6.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6549 -4.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8882 -5.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 5 1 0 0 0\n 12 6 1 0 0 0\n 13 5 1 0 0 0\n 13 12 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n8\n\n> <bondid>\n7\n\n$$$$\nBicyclo[5-5-1]tridecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 14 0 0 0 999 V2000\n 7.5850 -5.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5169 -6.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6632 -7.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8369 -7.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7693 -6.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5517 -6.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3258 -5.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5160 -5.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2226 -6.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9123 -6.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8227 -7.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7845 -5.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0774 -6.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 5 1 0 0 0\n 6 12 1 0 0 0\n 5 12 1 0 0 0\n 13 3 1 0 0 0\n 13 2 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n8\n\n> <bondid>\n6\n\n$$$$\nAdamantane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 12 0 0 0 999 V2000\n 7.5634 -6.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4530 -6.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4530 -5.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9968 -4.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1070 -4.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1070 -5.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9968 -6.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8866 -5.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3428 -6.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8866 -4.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 4 10 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 2 9 1 0 0 0\n 1 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 5 6 1 0 0 0\n 8 10 1 0 0 0\n 2 3 1 0 0 0\nM END\n> <group>\nBridged Polycyclics\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nCubane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 12 0 0 0 999 V2000\n 7.9520 -5.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6899 -4.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6650 -6.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9597 -6.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9872 -5.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2488 -5.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4012 -5.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6964 -6.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0\n 3 1 1 0 0 0\n 1 6 1 0 0 0\n 2 5 1 0 0 0\n 7 2 1 0 0 0\n 3 4 1 0 0 0\n 7 3 1 0 0 0\n 4 6 1 0 0 0\n 8 4 1 0 0 0\n 5 6 1 0 0 0\n 8 5 1 0 0 0\n 8 7 1 0 0 0\nM END\n> <group>\nBridged Polycyclics\n\n> <atomid>\n7\n\n> <bondid>\n11\n\n$$$$\nPrismane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 9 0 0 0 999 V2000\n 7.7612 -4.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0907 -4.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1698 -4.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1678 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0887 -5.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7593 -5.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0\n 3 1 1 0 0 0\n 3 2 1 0 0 0\n 4 5 1 0 0 0\n 4 6 1 0 0 0\n 5 6 1 0 0 0\n 1 6 1 0 0 0\n 3 4 1 0 0 0\n 2 5 1 0 0 0\nM END\n> <group>\nBridged Polycyclics\n\n> <atomid>\n3\n\n> <bondid>\n7\n\n$$$$\nTwistane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 12 0 0 0 999 V2000\n 10.9227 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6642 -4.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5688 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8274 -4.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7871 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5284 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6238 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8825 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7835 -5.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6165 -5.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0\n 2 4 1 0 0 0\n 3 4 1 0 0 0\n 5 6 1 0 0 0\n 7 5 1 0 0 0\n 8 7 1 0 0 0\n 9 3 1 0 0 0\n 9 6 1 0 0 0\n 10 1 1 0 0 0\n 10 8 1 0 0 0\n 1 6 1 0 0 0\n 3 8 1 0 0 0\nM END\n> <group>\nBridged Polycyclics\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\n12-Crown-4\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 0 0 999 V2000\n 9.6950 -4.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6961 -3.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7230 -3.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4895 -2.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4888 -2.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2724 -3.7946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3039 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3039 -5.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2718 -5.2624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4935 -6.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4934 -6.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7126 -5.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 0 0 0\n 12 1 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\n13-Crown-4\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 13 0 0 0 999 V2000\n 6.2108 -5.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2098 -4.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1789 -6.0710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1735 -4.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3479 -7.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3527 -3.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3428 -7.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3459 -3.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7617 -6.1569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7571 -4.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7493 -6.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7528 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2902 -5.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 13 1 0 0 0\n 1 2 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\n14-Crown-4\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 14 0 0 0 999 V2000\n 11.4453 -5.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9013 -4.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9150 -5.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9132 -4.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9274 -5.8351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5059 -3.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5286 -6.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4978 -3.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5308 -6.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1114 -4.4181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1336 -5.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1388 -4.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1473 -5.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6047 -5.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 14 1 0 0 0\n 13 14 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n$$$$\n15-Crown-5\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 15 15 0 0 0 999 V2000\n 9.3051 -3.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1168 -4.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4997 -4.1934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8472 -5.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6861 -3.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6483 -5.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8859 -4.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3419 -6.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1594 -5.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3292 -6.7279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3517 -5.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0217 -7.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6728 -6.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0073 -7.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6647 -6.7239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 14 1 0 0 0\n 13 15 1 0 0 0\n 14 15 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n$$$$\n16-Crown-5\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 16 16 0 0 0 999 V2000\n 10.1579 -7.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3604 -8.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8558 -7.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5517 -7.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6502 -6.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7522 -8.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4079 -5.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9519 -7.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3921 -5.2815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2224 -7.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3715 -4.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3998 -6.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4688 -3.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5949 -5.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5786 -4.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5857 -5.2815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 14 1 0 0 0\n 13 15 1 0 0 0\n 14 16 1 0 0 0\n 15 16 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\n17-Crown-5\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 0 0 999 V2000\n 11.0779 -6.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1260 -6.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2569 -7.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4815 -7.2799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7011 -7.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8165 -7.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8151 -6.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8549 -6.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6443 -5.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4333 -4.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3911 -5.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9204 -4.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9543 -4.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4969 -5.0788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4504 -4.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2557 -5.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1487 -7.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 6 7 1 0 0 0\n 11 12 1 0 0 0\n 12 13 1 0 0 0\n 13 14 1 0 0 0\n 10 11 1 0 0 0\n 15 16 1 0 0 0\n 14 15 1 0 0 0\n 16 1 1 0 0 0\n 2 17 1 0 0 0\n 17 3 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n$$$$\n18-Crown-6\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 12.0989 -6.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0984 -7.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1742 -7.8983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2561 -8.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3671 -9.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5542 -8.7612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7470 -9.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8655 -8.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9673 -7.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0511 -7.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0591 -6.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9807 -6.1495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8891 -5.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7538 -4.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5585 -5.2838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3625 -4.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2539 -5.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1740 -6.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 3 4 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 7 8 1 0 0 0\n 12 13 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 11 12 1 0 0 0\n 16 17 1 0 0 0\n 17 18 1 0 0 0\n 15 16 1 0 0 0\n 1 18 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n$$$$\n20-Crown-6\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 20 20 0 0 0 999 V2000\n 12.9696 -6.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4562 -7.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4568 -5.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4567 -7.5264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4506 -5.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2686 -8.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2545 -4.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3166 -8.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3019 -4.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5590 -8.1616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5486 -5.2850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7892 -4.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8656 -8.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8443 -4.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6577 -7.5325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6557 -5.9166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6451 -7.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6382 -5.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1304 -6.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8033 -8.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 11 12 1 0 0 0\n 13 15 1 0 0 0\n 14 16 1 0 0 0\n 15 17 1 0 0 0\n 16 18 1 0 0 0\n 17 19 1 0 0 0\n 18 19 1 0 0 0\n 12 14 1 0 0 0\n 13 20 1 0 0 0\n 10 20 1 0 0 0\n 3 1 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n$$$$\n21-Crown-7\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 21 21 0 0 0 999 V2000\n 9.2476 -4.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3448 -4.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3272 -5.5163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3374 -5.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0975 -6.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8706 -7.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4253 -8.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0491 -8.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0215 -8.7675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4631 -9.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4605 -9.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8988 -8.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8812 -8.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5114 -8.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7121 -4.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8084 -4.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0256 -4.7163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1044 -7.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7139 -5.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9025 -6.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6937 -5.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 3 4 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 7 8 1 0 0 0\n 12 13 1 0 0 0\n 13 14 1 0 0 0\n 11 12 1 0 0 0\n 15 16 1 0 0 0\n 16 17 1 0 0 0\n 1 17 1 0 0 0\n 14 18 1 0 0 0\n 19 15 1 0 0 0\n 18 20 1 0 0 0\n 19 21 1 0 0 0\n 20 21 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\n24-Crown-8\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 24 24 0 0 0 999 V2000\n 9.0714 -9.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5688 -8.6839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0589 -9.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5317 -9.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5767 -8.6753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2612 -8.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6218 -8.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9970 -7.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9000 -8.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8824 -6.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1947 -7.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8855 -5.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3145 -6.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0044 -5.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3384 -5.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2885 -4.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2280 -5.3744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5636 -3.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9695 -4.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6083 -4.1102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7013 -3.7643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1273 -3.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6397 -4.1023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1264 -3.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 14 1 0 0 0\n 13 15 1 0 0 0\n 14 16 1 0 0 0\n 15 17 1 0 0 0\n 16 18 1 0 0 0\n 17 19 1 0 0 0\n 18 20 1 0 0 0\n 19 21 1 0 0 0\n 20 22 1 0 0 0\n 21 23 1 0 0 0\n 22 24 1 0 0 0\n 23 24 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n$$$$\n27-Crown-9\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 27 27 0 0 0 999 V2000\n 12.8715 -5.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4227 -6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3172 -4.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2176 -6.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3116 -4.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0558 -7.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0873 -3.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1143 -8.2518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2476 -9.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3689 -4.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6009 -3.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1290 -3.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5183 -9.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6486 -3.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9884 -10.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4426 -9.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4301 -4.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9807 -10.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4253 -4.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4473 -9.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8996 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5287 -9.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3912 -6.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7155 -9.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6324 -7.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8191 -8.2642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8489 -7.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 8 9 1 0 0 0\n 10 11 1 0 0 0\n 10 12 1 0 0 0\n 11 14 1 0 0 0\n 13 15 1 0 0 0\n 13 16 1 0 0 0\n 14 17 1 0 0 0\n 15 18 1 0 0 0\n 17 19 1 0 0 0\n 18 20 1 0 0 0\n 19 21 1 0 0 0\n 20 22 1 0 0 0\n 21 23 1 0 0 0\n 22 24 1 0 0 0\n 23 25 1 0 0 0\n 24 26 1 0 0 0\n 26 27 1 0 0 0\n 12 7 1 0 0 0\n 9 16 1 0 0 0\n 27 25 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n$$$$\n30-Crown-10\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 30 30 0 0 0 999 V2000\n 10.5968 -3.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5443 -3.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8344 -4.1370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7938 -4.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1029 -3.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7946 -4.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1487 -3.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4230 -5.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8987 -4.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0643 -6.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9078 -4.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9365 -6.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3013 -5.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9385 -7.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6787 -6.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0639 -8.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8115 -6.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4322 -9.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8115 -7.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8108 -10.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6722 -8.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8119 -9.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2940 -9.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5637 -10.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8989 -9.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5955 -11.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9003 -9.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1417 -10.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0967 -11.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8494 -10.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 4 6 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 14 1 0 0 0\n 14 16 1 0 0 0\n 15 17 1 0 0 0\n 16 18 1 0 0 0\n 17 19 1 0 0 0\n 19 21 1 0 0 0\n 20 22 1 0 0 0\n 21 23 1 0 0 0\n 22 24 1 0 0 0\n 23 25 1 0 0 0\n 24 26 1 0 0 0\n 27 28 1 0 0 0\n 29 30 1 0 0 0\n 5 7 1 0 0 0\n 18 20 1 0 0 0\n 25 27 1 0 0 0\n 28 29 1 0 0 0\n 26 30 1 0 0 0\n 15 13 1 0 0 0\n 5 3 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nALA-D-Alanine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 5 0 1 0 999 V2000\n 13.6701 -6.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6701 -5.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8003 -5.3251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5335 -5.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5335 -4.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3999 -5.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 1 0 0\n 2 4 1 0 0 0\n 4 5 2 0 0 0\n 4 6 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n2\n\n> <bondid>\n0\n\n$$$$\nARG-D-Arginine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n 12.0694 -4.2443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7765 -4.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5148 -5.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5506 -6.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2934 -7.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3248 -7.4032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0676 -8.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1033 -8.6246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7747 -9.0745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7407 -4.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0024 -3.7255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4467 -5.4025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 10 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 7 9 2 0 0 0\n 10 11 2 0 0 0\n 10 12 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n7\n\n$$$$\nASN-D-Asparagine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 10.8319 -5.4762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6977 -5.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6989 -6.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8342 -7.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8321 -8.4753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9683 -6.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5657 -5.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5645 -4.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4317 -5.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 7 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 4 6 2 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n4\n\n$$$$\nASP-D-Aspartic acid\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 10.7814 -5.6761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6474 -6.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6486 -7.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7839 -7.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7818 -8.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9179 -7.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5154 -5.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5142 -4.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3821 -6.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 7 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 4 6 2 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n4\n\n$$$$\nCYS-D-Cysteine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 6 0 1 0 999 V2000\n 6.9511 -4.7004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8205 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8205 -6.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9511 -6.6987 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6834 -4.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6834 -3.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5489 -5.1995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 5 1 0 0 0\n 3 4 1 0 0 0\n 5 6 2 0 0 0\n 5 7 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n3\n\n$$$$\nGLN-D-Glutamine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n 11.1341 -5.3758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0002 -5.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0015 -6.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1332 -7.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1344 -8.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2695 -8.8736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0006 -8.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8652 -5.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8673 -4.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7305 -5.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 8 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 5 7 2 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n5\n\n$$$$\nGLU-D-Glutamic acid\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n 11.4591 -5.3259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3252 -5.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3265 -6.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4582 -7.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4594 -8.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5945 -8.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3256 -8.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1902 -5.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1923 -4.3243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0555 -5.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 8 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 5 7 2 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n5\n\n$$$$\nGLY-Glycine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 4 0 0 0 999 V2000\n 10.6670 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5331 -6.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8010 -6.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3990 -7.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5331 -5.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 2 5 2 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n2\n\n> <bondid>\n1\n\n$$$$\nHIS-D-Histidine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 11 0 1 0 999 V2000\n 11.4910 -6.5739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3584 -7.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3572 -8.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4919 -8.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3861 -9.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4100 -9.7753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9104 -8.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5750 -8.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2237 -6.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2217 -5.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0896 -7.0762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 9 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 4 8 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 2 0 0 0\n 9 10 2 0 0 0\n 9 11 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nILE-D-Isoleucine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 11.8001 -9.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8020 -8.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6668 -8.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5327 -8.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6656 -7.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7997 -6.8261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5336 -6.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5324 -5.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4003 -7.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 6 0 0\n 3 5 1 0 0 0\n 5 6 1 1 0 0\n 5 7 1 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nLEU-D-Leucine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 12.2568 -9.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2588 -8.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3929 -7.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1235 -7.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1224 -6.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2564 -6.3511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9903 -6.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9891 -5.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8571 -6.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 2 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 1 0 0\n 5 7 1 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nLYS-D-Lysine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n 10.6692 -9.3254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6712 -8.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5358 -7.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5346 -6.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4025 -6.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4013 -5.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5355 -4.8257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2659 -4.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2679 -3.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1308 -5.3291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 1 0 0\n 6 8 1 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n6\n\n> <bondid>\n0\n\n$$$$\nMET-D-Methionine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 11.6195 -9.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4844 -9.3267 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4832 -8.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3515 -7.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3502 -6.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4841 -6.3270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2152 -6.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2173 -5.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0805 -6.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 1 0 0\n 5 7 1 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nPHE-D-Phenylalanine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 11 0 1 0 999 V2000\n 12.5510 -6.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4169 -6.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2830 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2830 -5.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1490 -6.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4169 -7.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5510 -8.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5510 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4169 -9.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2830 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2830 -8.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 6 1 0 0 0\n 3 4 2 0 0 0\n 3 5 1 0 0 0\n 6 7 1 0 0 0\n 6 11 2 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n4\n\n$$$$\nPRO-D-Proline\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 1 0 999 V2000\n 10.6969 -1.7001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6956 -2.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8298 -3.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7240 -4.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7473 -4.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2474 -3.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9124 -2.7903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4026 -3.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 3 2 1 1 0 0\n 2 8 1 0 0 0\n 3 4 1 0 0 0\n 3 7 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n6\n\n> <bondid>\n2\n\n$$$$\nSER-D-Serine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 6 0 1 0 999 V2000\n 10.3261 -6.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1955 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1955 -8.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3261 -8.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0584 -6.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0584 -5.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9239 -7.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 5 1 0 0 0\n 3 4 1 0 0 0\n 5 6 2 0 0 0\n 5 7 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n3\n\n$$$$\nTHR-D-Threonine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n 11.5255 -8.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3953 -7.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2586 -8.1243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3953 -6.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5255 -6.1252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2586 -6.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2586 -5.1257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1245 -6.6245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 1 0 0\n 2 4 1 0 0 0\n 4 5 1 1 0 0\n 4 6 1 0 0 0\n 6 7 2 0 0 0\n 6 8 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n4\n\n> <bondid>\n0\n\n$$$$\nTRP-D-Tryptophan\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 15 16 0 1 0 999 V2000\n 11.9929 -5.3065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8877 -5.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9408 -6.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0974 -7.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1680 -6.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5350 -7.7214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0834 -8.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0497 -8.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7565 -9.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4968 -9.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5306 -10.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8239 -9.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7230 -5.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6717 -4.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6150 -5.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 13 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 4 8 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 2 0 0 0\n 7 12 1 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\n 11 12 2 0 0 0\n 13 14 2 0 0 0\n 13 15 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n15\n\n$$$$\nTYR-D-Tyrosine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 13 0 1 0 999 V2000\n 12.5019 -5.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3670 -6.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3658 -7.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4995 -7.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5016 -8.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6354 -9.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7671 -8.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9008 -9.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7683 -7.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6344 -7.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2333 -5.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2344 -4.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0992 -6.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 11 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 4 10 1 0 0 0\n 5 6 1 0 0 0\n 6 7 2 0 0 0\n 7 8 1 0 0 0\n 7 9 1 0 0 0\n 9 10 2 0 0 0\n 11 12 2 0 0 0\n 11 13 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n8\n\n$$$$\nVAL-D-Valine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n 10.8255 -8.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6953 -8.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5586 -8.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6953 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8255 -6.9502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5586 -6.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5586 -5.9506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4245 -7.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 2 4 1 0 0 0\n 4 5 1 1 0 0\n 4 6 1 0 0 0\n 6 7 2 0 0 0\n 6 8 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n4\n\n> <bondid>\n0\n\n$$$$\nD-Allose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.4194 -1.6883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9924 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4387 -0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0204 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4629 0.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0221 1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4407 1.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1127 2.6517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2718 1.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2093 0.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2702 0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1849 -0.4782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 6 0 0\n 5 10 1 1 0 0\n 4 11 1 6 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Altrose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.4516 -1.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0245 -0.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4709 -0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0525 0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4950 1.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0501 1.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4729 2.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1448 3.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3040 1.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2414 1.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3024 0.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2171 -0.0873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 1 0 0\n 5 10 1 1 0 0\n 4 11 1 6 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Arabinose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n -3.8949 -0.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4593 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8995 1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4675 1.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9005 2.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4667 2.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4723 -0.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7192 1.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6437 1.1253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7111 0.4839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 1 7 1 0 0 0\n 4 8 1 1 0 0\n 3 9 1 1 0 0\n 2 10 1 6 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n6\n\n> <bondid>\n5\n\n$$$$\nD-Erythrose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n -4.1906 0.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7523 0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1844 1.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7532 1.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1786 2.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7458 3.0700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0034 1.8545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9299 1.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 4 7 1 6 0 0\n 3 8 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Erythrulose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n -4.1896 2.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7907 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2449 0.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8481 0.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7539 2.6818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0537 1.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9812 0.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3557 -0.3786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 1 5 1 0 0 0\n 2 6 2 0 0 0\n 3 7 1 1 0 0\n 8 4 1 0 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n4\n\n> <bondid>\n3\n\n$$$$\nD-Fructose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.1480 1.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5728 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1297 0.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5540 0.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1105 -0.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5532 -1.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1339 -1.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5796 2.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3170 1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3814 0.7735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2979 0.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3622 -0.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 1 8 1 0 0 0\n 2 9 2 0 0 0\n 3 10 1 1 0 0\n 4 11 1 1 0 0\n 5 12 1 6 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n7\n\n> <bondid>\n6\n\n$$$$\nD-Galactose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.8880 -0.9644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4609 -0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9072 0.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4890 0.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9315 1.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4907 2.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9093 2.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5812 3.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7403 2.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6779 1.4898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7387 0.9075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6535 0.2459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 6 0 0\n 5 10 1 6 0 0\n 4 11 1 1 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Glucose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.5186 -1.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9457 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4995 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9178 0.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4754 1.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9163 1.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4978 2.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8217 3.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6624 1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7249 1.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6639 0.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7491 -0.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 1 0 0\n 5 10 1 1 0 0\n 4 11 1 1 0 0\n 3 12 1 6 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Gulose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -4.3047 -1.0894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8775 -0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3239 0.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9056 0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3481 1.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9073 1.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3260 2.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9978 3.2523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1570 1.9418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0945 1.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1554 0.7825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0702 0.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 6 0 0\n 5 10 1 1 0 0\n 4 11 1 1 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Idose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.7380 -1.2977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3109 -0.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7572 -0.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3390 0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7815 1.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3407 1.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7593 2.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4312 3.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5903 1.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5279 1.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5887 0.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5035 -0.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 1 0 0\n 5 10 1 1 0 0\n 4 11 1 1 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Lyxose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n -3.9033 0.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3348 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8987 1.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3307 2.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8977 2.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3273 3.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3259 -0.2571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0749 2.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1504 1.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0829 0.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 1 7 1 0 0 0\n 4 8 1 6 0 0\n 3 9 1 1 0 0\n 2 10 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n6\n\n> <bondid>\n5\n\n$$$$\nD-Mannose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.9005 -1.2560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4734 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9197 -0.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5015 0.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9440 1.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5032 1.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9218 2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5937 3.0856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7528 1.7751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6904 1.1981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7512 0.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6660 -0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 1 0 0\n 5 10 1 6 0 0\n 4 11 1 6 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Psicose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -4.1455 2.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7122 2.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1459 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7164 0.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1511 0.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6999 -0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1099 -0.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7230 3.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9598 2.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8942 1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9639 0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8992 0.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 1 8 1 0 0 0\n 2 9 2 0 0 0\n 3 10 1 1 0 0\n 4 11 1 6 0 0\n 5 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n7\n\n> <bondid>\n6\n\n$$$$\nD-Ribose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n -3.4471 -0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8828 0.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4426 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8747 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4417 2.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8713 2.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8696 -0.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6188 1.6686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6943 1.0421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6268 0.4006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 1 7 1 0 0 0\n 4 8 1 1 0 0\n 3 9 1 6 0 0\n 2 10 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n6\n\n> <bondid>\n5\n\n$$$$\nD-Ribulose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n -3.1689 -0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6004 0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1643 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5963 1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1633 1.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5929 2.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4160 0.6794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5914 -1.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3485 0.0380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3252 1.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 3 7 1 6 0 0\n 1 8 1 0 0 0\n 2 9 1 1 0 0\n 4 10 2 0 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n7\n\n> <bondid>\n6\n\n$$$$\nD-Sorbose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.8077 2.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3743 1.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8123 1.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3785 0.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8133 -0.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3620 -0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7721 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3851 3.0166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6219 1.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5564 1.1791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6301 0.5499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5573 -0.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 1 8 1 0 0 0\n 2 9 2 0 0 0\n 3 10 1 1 0 0\n 4 11 1 1 0 0\n 5 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n7\n\n> <bondid>\n6\n\n$$$$\nD-Tagatose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -5.3565 3.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7786 2.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3570 1.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7842 0.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3640 -0.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7622 -0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3090 -1.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7930 4.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7752 2.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3552 1.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7806 0.7334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3619 -0.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 1 8 1 0 0 0\n 2 9 2 0 0 0\n 3 10 1 6 0 0\n 4 11 1 1 0 0\n 5 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n7\n\n> <bondid>\n6\n\n$$$$\nD-Talose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -4.0547 -0.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6275 -0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0739 0.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6556 1.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0981 1.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6573 2.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0760 2.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7478 3.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9070 2.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8445 1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9054 1.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8202 0.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 1 0 0\n 5 10 1 6 0 0\n 4 11 1 1 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Threose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n -4.7339 0.2599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3006 0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7343 1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3045 2.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7353 2.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3079 3.3192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5548 2.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.4800 1.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 4 7 1 1 0 0\n 3 8 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Xylose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n -3.7801 -0.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2157 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7755 1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2075 1.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7745 2.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2083 2.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2027 -0.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9517 1.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0272 1.1253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9597 0.4839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 1 7 1 0 0 0\n 4 8 1 1 0 0\n 3 9 1 1 0 0\n 2 10 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n6\n\n> <bondid>\n5\n\n$$$$\nD-Xylulose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n -2.9398 -0.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3754 0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9352 0.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3672 1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9342 2.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3638 2.7737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1827 0.9336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3623 -0.9196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1235 0.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1002 1.5539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 3 7 1 1 0 0\n 1 8 1 0 0 0\n 2 9 1 1 0 0\n 4 10 2 0 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n7\n\n> <bondid>\n6\n\n$$$$\n1_2_3-Oxadiazole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nDioxane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 4.2090 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2090 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -4.7018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -3.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nFuran\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nImidazole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nIndole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 6.3344 -5.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7641 -5.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0506 -5.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7641 -6.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3344 -6.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0524 -7.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4800 -7.2028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1974 -6.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1974 -5.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\n 8 9 2 0 0 0\n 7 8 1 0 0 0\n 2 9 1 0 0 0\n 4 7 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n6\n\n> <bondid>\n6\n\n$$$$\nIsoquinoline\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 7.2094 -5.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6391 -5.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9256 -5.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6391 -6.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2094 -6.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9274 -6.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3533 -5.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0698 -5.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3584 -6.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0717 -6.5353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 2 4 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\n 8 7 2 0 0 0\n 9 10 2 0 0 0\n 10 8 1 0 0 0\n 4 9 1 0 0 0\n 2 7 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n8\n\n> <bondid>\n0\n\n$$$$\nIsoxazole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n2\n\n> <bondid>\n0\n\n$$$$\nMorpholine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 4.2090 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2090 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -4.7018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -3.0482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n5\n\n> <bondid>\n1\n\n$$$$\nOxazole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n4\n\n> <bondid>\n0\n\n$$$$\nPiperazine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 4.2090 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2090 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -4.7018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -3.0482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n5\n\n> <bondid>\n1\n\n$$$$\nPiperidine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 3.0000 -9.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -10.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7160 -10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4320 -10.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4320 -9.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7160 -9.0964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nPurine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 6.3344 -5.9612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7641 -5.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0506 -5.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7641 -6.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3344 -6.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0524 -7.2005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4800 -7.2028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1974 -6.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1974 -5.9608 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\n 8 9 2 0 0 0\n 7 8 1 0 0 0\n 2 9 1 0 0 0\n 4 7 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n6\n\n> <bondid>\n7\n\n$$$$\nPyran\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 4.2090 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2090 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -4.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -3.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nPyrazine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 6.4094 -4.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1256 -3.6230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4094 -4.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1274 -5.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n0\n\n> <bondid>\n2\n\n$$$$\nPyrazol\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nPyridazine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 6.4094 -4.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1256 -3.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4094 -4.8665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1274 -5.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nPyridine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 6.4094 -4.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1256 -3.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4094 -4.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1274 -5.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n3\n\n> <bondid>\n1\n\n$$$$\nPyridone\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 7 0 0 0 999 V2000\n 5.2590 -5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2590 -5.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9750 -6.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6910 -5.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6910 -5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9750 -4.5982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5430 -4.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 6 1 0 0 0\n 1 7 2 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n5\n\n> <bondid>\n5\n\n$$$$\nPyrimidine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 6.4094 -4.0362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1256 -3.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4094 -4.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1274 -5.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n4\n\n> <bondid>\n1\n\n$$$$\nPyrole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 3.6685 -10.0843 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -9.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2553 -8.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0817 -8.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3370 -9.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n$$$$\nPyrone\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 7 0 0 0 999 V2000\n 5.2590 -5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2590 -5.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9750 -6.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6910 -5.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6910 -5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9750 -4.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5430 -4.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 6 1 0 0 0\n 1 7 2 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n4\n\n> <bondid>\n4\n\n$$$$\nPyrrolidine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 3.7210 -3.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3632 -3.3980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0779 -3.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8532 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0171 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n1\n\n> <bondid>\n2\n\n$$$$\nQuinoline\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 7.2094 -5.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6391 -5.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9256 -5.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6391 -6.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2094 -6.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9274 -6.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3533 -5.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0698 -5.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3584 -6.9529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0717 -6.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 2 4 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\n 8 7 2 0 0 0\n 9 10 2 0 0 0\n 10 8 1 0 0 0\n 4 9 1 0 0 0\n 2 7 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n9\n\n> <bondid>\n8\n\n$$$$\nTetrahydrofuran\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 3.7210 -3.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3632 -3.3980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0779 -3.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8532 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0171 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n2\n\n> <bondid>\n2\n\n$$$$\nTetrahydrothiophene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 3.7210 -3.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3632 -3.3980 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0779 -3.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8532 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0171 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n2\n\n> <bondid>\n2\n\n$$$$\nTetrazole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nThiophene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n4\n\n> <bondid>\n3\n\n$$$$\nTriazine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 6.4094 -4.0362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.0358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1256 -3.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4094 -4.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1274 -5.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n3\n\n> <bondid>\n1\n\n$$$$\nTriazole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nALA-L-Alanine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 5 0 1 0 999 V2000\n 13.6700 -6.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6700 -5.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8002 -5.3251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5334 -5.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5334 -4.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3998 -5.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 6 0 0\n 2 4 1 0 0 0\n 4 5 2 0 0 0\n 4 6 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n2\n\n> <bondid>\n0\n\n$$$$\nARG-L-Arginine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n 12.0694 -4.2443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7765 -4.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5148 -5.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5506 -6.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2934 -7.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3248 -7.4032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0676 -8.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1033 -8.6246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7747 -9.0745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7407 -4.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0024 -3.7255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4467 -5.4025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 10 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 7 9 2 0 0 0\n 10 11 2 0 0 0\n 10 12 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n7\n\n$$$$\nASN-L-Asparagine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 10.8319 -5.4762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6977 -5.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6989 -6.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8342 -7.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8321 -8.4753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9683 -6.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5657 -5.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5645 -4.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4317 -5.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 7 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 4 6 2 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n4\n\n$$$$\nASP-L-Aspartic acid\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 10.7814 -5.6761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6474 -6.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6486 -7.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7839 -7.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7818 -8.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9179 -7.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5154 -5.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5142 -4.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3821 -6.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 7 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 4 6 2 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n4\n\n$$$$\nCYS-L-Cysteine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 6 0 1 0 999 V2000\n 6.9511 -4.7004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8205 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8205 -6.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9511 -6.6987 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6834 -4.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6834 -3.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5489 -5.1995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 5 1 0 0 0\n 3 4 1 0 0 0\n 5 6 2 0 0 0\n 5 7 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n3\n\n$$$$\nGLN-L-Glutamine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n 11.1341 -5.3758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0002 -5.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0015 -6.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1332 -7.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1344 -8.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2695 -8.8736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0006 -8.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8652 -5.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8673 -4.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7305 -5.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 8 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 5 7 2 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n5\n\n$$$$\nGLU-L-Glutamic acid\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n 11.4591 -5.3259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3252 -5.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3265 -6.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4582 -7.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4594 -8.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5945 -8.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3256 -8.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1902 -5.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1923 -4.3243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0555 -5.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 8 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 5 7 2 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n5\n\n$$$$\nGLY-Glycine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 4 0 0 0 999 V2000\n 10.6670 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5331 -6.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8010 -6.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3990 -7.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5331 -5.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 2 5 2 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n2\n\n> <bondid>\n1\n\n$$$$\nHIS-L-Histidine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 11 0 1 0 999 V2000\n 11.4910 -6.5739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3584 -7.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3572 -8.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4919 -8.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3861 -9.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4100 -9.7753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9104 -8.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5750 -8.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2237 -6.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2217 -5.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0896 -7.0762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 9 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 4 8 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 2 0 0 0\n 9 10 2 0 0 0\n 9 11 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nILE-L-Isoleucine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 11.8001 -9.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8020 -8.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6668 -8.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5327 -8.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6656 -7.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7997 -6.8261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5336 -6.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5324 -5.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4003 -7.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 1 0 0\n 3 5 1 0 0 0\n 5 6 1 6 0 0\n 5 7 1 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nLEU-L-Leucine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 12.2568 -9.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2588 -8.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3929 -7.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1235 -7.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1224 -6.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2564 -6.3511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9903 -6.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9891 -5.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8571 -6.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 2 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 6 0 0\n 5 7 1 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nLYS-L-Lysine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n 10.6692 -9.3254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6712 -8.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5358 -7.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5346 -6.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4025 -6.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4013 -5.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5355 -4.8257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2659 -4.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2679 -3.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1308 -5.3291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 6 0 0\n 6 8 1 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n6\n\n> <bondid>\n0\n\n$$$$\nMET-L-Methionine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 11.6195 -9.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4844 -9.3267 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4832 -8.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3515 -7.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3502 -6.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4841 -6.3270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2152 -6.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2173 -5.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0805 -6.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 6 0 0\n 5 7 1 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nPHE-L-Phenylalanine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 11 0 1 0 999 V2000\n 12.5510 -6.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4169 -6.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2830 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2830 -5.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1490 -6.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4169 -7.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5510 -8.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5510 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4169 -9.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2830 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2830 -8.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 6 1 0 0 0\n 3 4 2 0 0 0\n 3 5 1 0 0 0\n 6 7 1 0 0 0\n 6 11 2 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nPRO-L-Proline\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 1 0 999 V2000\n 10.6969 -1.7001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6956 -2.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8298 -3.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7240 -4.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7473 -4.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2474 -3.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9124 -2.7903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4026 -3.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 3 2 1 6 0 0\n 2 8 1 0 0 0\n 3 4 1 0 0 0\n 3 7 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n6\n\n> <bondid>\n2\n\n$$$$\nSER-L-Serine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 6 0 1 0 999 V2000\n 10.3261 -6.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1955 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1955 -8.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3261 -8.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0584 -6.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0584 -5.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9239 -7.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 5 1 0 0 0\n 3 4 1 0 0 0\n 5 6 2 0 0 0\n 5 7 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n3\n\n$$$$\nTHR-L-Threonine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n 11.5255 -8.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3953 -7.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2586 -8.1243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3953 -6.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5255 -6.1252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2586 -6.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2586 -5.1257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1245 -6.6245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 6 0 0\n 2 4 1 0 0 0\n 4 5 1 6 0 0\n 4 6 1 0 0 0\n 6 7 2 0 0 0\n 6 8 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n4\n\n> <bondid>\n0\n\n$$$$\nTRP-L-Tryptophan\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 15 16 0 1 0 999 V2000\n 11.9929 -5.3065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8877 -5.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9408 -6.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0974 -7.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1680 -6.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5350 -7.7214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0834 -8.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0497 -8.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7565 -9.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4968 -9.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5306 -10.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8239 -9.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7230 -5.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6717 -4.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6150 -5.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 13 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 4 8 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 2 0 0 0\n 7 12 1 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\n 11 12 2 0 0 0\n 13 14 2 0 0 0\n 13 15 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n15\n\n$$$$\nTYR-L-Tyrosine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 13 0 1 0 999 V2000\n 12.5019 -5.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3670 -6.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3658 -7.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4995 -7.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5016 -8.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6354 -9.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7671 -8.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9008 -9.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7683 -7.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6344 -7.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2333 -5.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2344 -4.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0992 -6.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 11 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 4 10 1 0 0 0\n 5 6 1 0 0 0\n 6 7 2 0 0 0\n 7 8 1 0 0 0\n 7 9 1 0 0 0\n 9 10 2 0 0 0\n 11 12 2 0 0 0\n 11 13 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n8\n\n$$$$\nVAL-L-Valine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n 10.8255 -8.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6953 -8.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5586 -8.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6953 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8255 -6.9502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5586 -6.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5586 -5.9506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4245 -7.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 2 4 1 0 0 0\n 4 5 1 6 0 0\n 4 6 1 0 0 0\n 6 7 2 0 0 0\n 6 8 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n4\n\n> <bondid>\n0\n\n$$$$\nAdenine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 3.4903 -2.0759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1974 -1.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -1.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1974 -0.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9070 -2.2584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4956 -0.6934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8834 -0.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6333 -1.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6333 -0.9769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8834 0.2478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 2 0 0 0\n 2 5 1 0 0 0\n 3 6 2 0 0 0\n 4 7 1 0 0 0\n 5 8 2 0 0 0\n 7 9 2 0 0 0\n 7 10 1 0 0 0\n 4 6 1 0 0 0\n 8 9 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nCytosine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 0 0 999 V2000\n 3.7084 -1.9709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4211 -1.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -1.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4211 -0.7296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1335 -1.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -0.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7050 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7050 0.4994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 2 5 2 0 0 0\n 3 6 2 0 0 0\n 4 7 2 0 0 0\n 7 8 1 0 0 0\n 6 7 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nGuanine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 3.4897 0.3839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1974 0.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1974 1.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9066 0.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5004 1.7668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8887 1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6377 0.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6377 1.4853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8887 2.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3288 0.2133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 2 0 0 0\n 2 5 1 0 0 0\n 3 6 2 0 0 0\n 4 7 1 0 0 0\n 5 8 2 0 0 0\n 7 9 1 0 0 0\n 7 10 2 0 0 0\n 4 6 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nThymine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 9 0 0 0 999 V2000\n 2.4396 -1.5954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1523 -1.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7188 -1.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1523 -0.3502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8646 -1.5913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7189 -0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4364 0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4364 0.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0104 0.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 2 5 2 0 0 0\n 3 6 2 0 0 0\n 4 7 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nUracil\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 0 0 999 V2000\n 3.7124 -0.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4252 -0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4252 0.7243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1458 -0.5209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 0.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7092 1.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7092 1.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 2 5 2 0 0 0\n 3 6 2 0 0 0\n 4 7 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nRibose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 14 0 1 0 999 V2000\n 3.6483 -1.5101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6483 -2.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6030 -2.5039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5685 -2.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9582 -3.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2479 -3.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2479 -2.2377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2479 -4.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9582 -2.2333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9582 -4.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5685 -2.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7706 -2.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5685 -3.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6483 -3.6834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 1 0 0\n 5 6 1 1 0 0\n 2 6 1 1 0 0\n 6 7 1 0 0 0\n 6 8 1 0 0 0\n 5 9 1 0 0 0\n 5 10 1 0 0 0\n 4 11 1 0 0 0\n 11 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n11\n\n$$$$\nDeoxyribose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 14 0 0 0 999 V2000\n 11.5961 -4.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5961 -5.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1697 -6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7965 -6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3815 -5.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4831 -5.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3815 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5320 -4.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3815 -6.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7965 -4.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7965 -6.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1697 -4.7839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1697 -6.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5961 -6.3232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 2 6 1 0 0 0\n 6 5 1 0 0 0\n 5 4 1 0 0 0\n 4 3 1 0 0 0\n 2 3 1 0 0 0\n 2 1 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 5 9 1 0 0 0\n 4 10 1 0 0 0\n 4 11 1 0 0 0\n 3 12 1 0 0 0\n 3 13 1 0 0 0\n 2 14 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n7\n\n$$$$\nRibose monophosphate\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 1 0 999 V2000\n 14.4831 -3.7504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4831 -5.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4073 -4.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3426 -5.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7437 -5.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0710 -5.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0710 -4.4993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0710 -6.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7437 -4.4947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7437 -6.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3426 -4.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3426 -6.1115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4831 -5.9871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2261 -4.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3520 -4.3001 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4739 -4.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3520 -3.4183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3520 -5.1818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 1 0 0\n 5 6 1 1 0 0\n 2 6 1 1 0 0\n 6 7 1 0 0 0\n 6 8 1 0 0 0\n 5 9 1 0 0 0\n 5 10 1 0 0 0\n 4 11 1 0 0 0\n 4 12 1 0 0 0\n 2 13 1 0 0 0\n 14 15 1 0 0 0\n 15 16 1 0 0 0\n 15 17 2 0 0 0\n 15 18 1 0 0 0\n 11 14 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n14\n\n$$$$\nDeoxyribose monophosphate\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 11.5961 -4.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5961 -5.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1697 -6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7965 -6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3815 -5.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4831 -5.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3815 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5320 -4.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6579 -4.5909 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7798 -4.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6579 -3.7091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6579 -5.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3815 -6.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7965 -4.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7965 -6.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1697 -4.7839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1697 -6.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5961 -6.3232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 2 6 1 0 0 0\n 6 5 1 0 0 0\n 5 4 1 0 0 0\n 4 3 1 0 0 0\n 2 3 1 0 0 0\n 2 1 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 9 11 2 0 0 0\n 9 12 1 0 0 0\n 5 13 1 0 0 0\n 4 14 1 0 0 0\n 4 15 1 0 0 0\n 3 16 1 0 0 0\n 3 17 1 0 0 0\n 2 18 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n9\n\n$$$$\nAdenosine monophosphate\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 23 25 0 1 0 999 V2000\n 13.0195 -10.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3520 -10.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6070 -11.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4320 -11.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6869 -10.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6070 -12.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3520 -10.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5270 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6869 -10.0181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1983 -8.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.9127 -8.9796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 15.9127 -9.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1983 -10.2171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4838 -9.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7568 -8.6851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4838 -8.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2376 -9.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1983 -7.7420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4320 -12.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7020 -10.0181 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7020 -9.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7020 -10.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8770 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 5 1 0 0 0\n 2 3 1 1 0 0\n 2 7 1 0 0 0\n 3 4 1 1 0 0\n 3 6 1 0 0 0\n 5 4 1 1 0 0\n 5 9 1 0 0 0\n 7 8 1 0 0 0\n 14 9 1 0 0 0\n 9 17 1 0 0 0\n 10 11 2 0 0 0\n 10 16 1 0 0 0\n 10 18 1 0 0 0\n 11 12 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\n 16 14 2 0 0 0\n 15 16 1 0 0 0\n 15 17 2 0 0 0\n 4 19 1 0 0 0\n 8 20 1 0 0 0\n 20 21 2 0 0 0\n 20 22 1 0 0 0\n 20 23 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n22\n\n> <bondid>\n24\n\n$$$$\nAdenosine diphosphate\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 27 29 0 1 0 999 V2000\n 11.2820 -9.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6145 -9.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8695 -10.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6945 -10.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9494 -9.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8695 -11.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6145 -9.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7895 -9.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9494 -9.0650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4608 -7.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1752 -8.0265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1752 -8.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4608 -9.2640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7463 -8.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0193 -7.7320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7463 -8.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5001 -8.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4608 -6.7889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6945 -11.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9645 -9.0650 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9645 -8.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9645 -9.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1395 -9.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3145 -9.0650 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3145 -8.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3145 -9.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4895 -9.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 5 1 0 0 0\n 2 3 1 1 0 0\n 2 7 1 0 0 0\n 3 4 1 1 0 0\n 3 6 1 0 0 0\n 5 4 1 1 0 0\n 5 9 1 0 0 0\n 7 8 1 0 0 0\n 14 9 1 0 0 0\n 9 17 1 0 0 0\n 10 11 2 0 0 0\n 10 16 1 0 0 0\n 10 18 1 0 0 0\n 11 12 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\n 16 14 2 0 0 0\n 15 16 1 0 0 0\n 15 17 2 0 0 0\n 4 19 1 0 0 0\n 8 20 1 0 0 0\n 20 21 2 0 0 0\n 20 22 1 0 0 0\n 20 23 1 0 0 0\n 23 24 1 0 0 0\n 24 25 2 0 0 0\n 24 26 1 0 0 0\n 24 27 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n26\n\n> <bondid>\n28\n\n$$$$\nAdenosine triphosphate\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 31 33 0 1 0 999 V2000\n 14.6695 -10.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0020 -10.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2570 -11.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0820 -11.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3369 -10.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2570 -12.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0020 -10.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1770 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3369 -10.0181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8483 -8.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5627 -8.9796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5627 -9.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8483 -10.2171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1338 -9.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4068 -8.6851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1338 -8.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8876 -9.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8483 -7.7420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0820 -12.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3520 -10.0181 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3520 -9.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3520 -10.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5270 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7020 -10.0181 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7020 -9.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7020 -10.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8770 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0520 -10.0181 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0520 -9.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0520 -10.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2270 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 5 1 0 0 0\n 2 3 1 1 0 0\n 2 7 1 0 0 0\n 3 4 1 1 0 0\n 3 6 1 0 0 0\n 5 4 1 1 0 0\n 5 9 1 0 0 0\n 7 8 1 0 0 0\n 14 9 1 0 0 0\n 9 17 1 0 0 0\n 10 11 2 0 0 0\n 10 16 1 0 0 0\n 10 18 1 0 0 0\n 11 12 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\n 16 14 2 0 0 0\n 15 16 1 0 0 0\n 15 17 2 0 0 0\n 4 19 1 0 0 0\n 8 20 1 0 0 0\n 20 21 2 0 0 0\n 20 22 1 0 0 0\n 20 23 1 0 0 0\n 23 24 1 0 0 0\n 24 25 2 0 0 0\n 24 26 1 0 0 0\n 24 27 1 0 0 0\n 27 28 1 0 0 0\n 28 29 2 0 0 0\n 28 30 1 0 0 0\n 28 31 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n30\n\n> <bondid>\n32\n\n$$$$\nBenzene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 0.6548 2.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0813 2.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3694 2.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0813 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6548 1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3712 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nBoat\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 5.8944 2.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4777 2.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4166 3.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9277 3.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2722 3.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0277 3.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 1 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 3 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n3\n\n> <bondid>\n2\n\n$$$$\nChair\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 8.5333 5.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1166 6.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9111 6.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2555 6.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0277 5.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6166 6.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 1 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 3 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nChair1\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 4.9944 2.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7388 3.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2777 2.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4055 4.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5333 3.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1166 4.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 1 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nChair2\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 10.4055 2.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6611 3.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1222 2.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9944 4.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8666 3.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2833 4.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 1 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nChair3\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 5.0777 4.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4888 9.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2000 10.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8222 8.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3611 4.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3277 7.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0777 6.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4888 8.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2388 7.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6166 5.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8666 7.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2000 8.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3611 6.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7777 6.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8222 6.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0333 5.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4055 8.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6166 7.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7 15 1 0 0 0\n 15 13 1 0 0 0\n 13 8 1 0 0 0\n 8 18 1 0 0 0\n 18 12 1 0 0 0\n 12 7 1 0 0 0\n 1 7 1 0 0 0\n 8 2 1 0 0 0\n 12 3 1 0 0 0\n 15 4 1 0 0 0\n 5 13 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 10 18 1 0 0 0\n 11 12 1 0 0 0\n 13 14 1 0 0 0\n 15 16 1 0 0 0\n 17 18 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n5\n\n$$$$\nChair4\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 10.4888 4.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0777 9.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3666 10.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7444 8.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2055 4.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2388 7.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4888 6.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0777 8.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3277 7.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9500 5.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7000 7.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3666 8.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2055 6.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7888 6.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7444 6.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5333 5.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1611 8.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9500 7.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7 15 1 0 0 0\n 15 13 1 0 0 0\n 13 8 1 0 0 0\n 8 18 1 0 0 0\n 18 12 1 0 0 0\n 12 7 1 0 0 0\n 1 7 1 0 0 0\n 8 2 1 0 0 0\n 12 3 1 0 0 0\n 15 4 1 0 0 0\n 5 13 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 10 18 1 0 0 0\n 11 12 1 0 0 0\n 13 14 1 0 0 0\n 15 16 1 0 0 0\n 17 18 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n5\n\n$$$$\nCyclopentadiene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 3.8091 8.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3091 6.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6181 7.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3091 6.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 7.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 5 1 0 0 0\n 2 3 2 0 0 0\n 3 1 1 0 0 0\n 4 2 1 0 0 0\n 5 4 2 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nCyclopentadiene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 14.3500 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2160 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2160 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4840 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4840 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 2 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\n 4 3 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nRing3\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 3 3 0 0 0 999 V2000\n 2.6123 1.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6098 1.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1111 2.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 3 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing4\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 4 4 0 0 0 999 V2000\n 3.4956 1.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4919 2.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4846 1.8991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4821 2.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 4 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing5\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 3.3632 3.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3649 3.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0647 2.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6686 2.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8751 1.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 5 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing5\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 2.2500 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1160 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1160 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3840 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3840 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\n 4 3 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing6\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 2.5500 3.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5500 2.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4160 2.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2820 2.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2820 3.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4160 4.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing7\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 7 0 0 0 999 V2000\n 21.4111 6.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.1938 6.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.1653 6.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.5987 5.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.4166 5.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.1660 4.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.1938 4.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 6 1 0 0 0\n 1 5 1 0 0 0\n 5 7 1 0 0 0\n 6 7 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nRing8\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 0 0 999 V2000\n 2.9268 2.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9270 3.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6288 3.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6290 1.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6266 1.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3286 2.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3285 3.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6266 3.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 1 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 3 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing9\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 9 0 0 0 999 V2000\n 2.7667 2.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5972 3.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0962 4.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5313 1.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5375 1.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2993 2.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4693 3.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0364 4.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9746 4.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 1 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 8 3 1 0 0 0\n 8 9 1 0 0 0\n 9 7 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing10\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 0 0 999 V2000\n 3.5215 2.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3132 2.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3132 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0493 2.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7854 2.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7854 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5215 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2575 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2575 2.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0493 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8 9 1 0 0 0\n 3 10 1 0 0 0\n 10 6 1 0 0 0\n 5 4 1 0 0 0\n 4 2 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 2 3 1 0 0 0\n 9 1 1 0 0 0\n 1 5 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nRing11\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 11 0 0 0 999 V2000\n 3.7115 0.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6673 0.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8179 1.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7664 2.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8179 3.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6382 4.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6721 4.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4599 3.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5335 3.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5480 2.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4840 1.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 1 1 0 0 0\n 4 5 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing12\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 0 0 999 V2000\n 3.7276 1.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7247 1.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9441 2.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9082 2.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9040 3.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9232 3.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6929 4.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6906 4.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4660 3.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5063 3.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5162 2.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4980 2.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 0 0 0\n 12 1 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nRing13\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 13 0 0 0 999 V2000\n 3.2666 4.9710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4574 4.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9755 4.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7213 3.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0441 3.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6650 3.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0441 2.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7099 2.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9763 2.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6652 2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0491 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6845 1.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9051 1.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 13 1 0 0 0\n 1 2 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n12\n\n$$$$\nRing14\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 14 0 0 0 999 V2000\n 6.8995 3.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3539 4.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3678 2.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3685 3.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3883 2.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9655 4.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9885 1.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9602 4.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9932 1.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5727 3.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5892 2.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5971 4.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6111 2.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0671 3.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 14 1 0 0 0\n 13 14 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing15\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 15 15 0 0 0 999 V2000\n 6.3839 2.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0478 1.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0286 1.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6750 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6672 0.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3752 1.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3912 2.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1293 2.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9384 3.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6710 4.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4746 5.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2796 4.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1008 5.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9121 4.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5968 3.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 3 4 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 7 8 1 0 0 0\n 12 13 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 11 12 1 0 0 0\n 1 15 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing16\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 16 16 0 0 0 999 V2000\n 5.3307 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8666 2.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4647 0.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8666 4.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0006 3.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0006 2.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8666 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7326 0.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5987 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7326 3.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5987 4.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4647 3.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3307 2.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1967 2.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1967 3.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3307 4.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 3 1 0 0 0\n 3 1 1 0 0 0\n 1 13 1 0 0 0\n 10 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 2 1 0 0 0\n 2 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 12 11 1 0 0 0\n 11 10 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 15 16 1 0 0 0\n 16 12 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nRing18\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 6.7675 4.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7675 3.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8338 2.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9136 1.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0241 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2362 1.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4295 1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5501 1.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6379 2.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7034 3.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7024 4.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6366 4.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5561 5.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4362 5.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2239 5.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0336 5.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9184 5.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8307 4.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 3 4 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 7 8 1 0 0 0\n 12 13 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 11 12 1 0 0 0\n 16 17 1 0 0 0\n 17 18 1 0 0 0\n 15 16 1 0 0 0\n 1 18 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nRing20\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 20 20 0 0 0 999 V2000\n 5.1641 6.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7000 5.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7000 6.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5660 7.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4320 6.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2980 7.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1641 5.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0301 4.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0301 5.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1641 3.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1641 2.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2980 2.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5660 1.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4320 0.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2980 1.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8339 5.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8339 4.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7000 3.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6999 2.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5660 2.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 2 1 0 0 0\n 5 4 1 0 0 0\n 4 3 1 0 0 0\n 7 1 1 0 0 0\n 1 6 1 0 0 0\n 6 5 1 0 0 0\n 10 8 1 0 0 0\n 8 9 1 0 0 0\n 9 7 1 0 0 0\n 12 11 1 0 0 0\n 11 10 1 0 0 0\n 20 13 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 15 12 1 0 0 0\n 2 16 1 0 0 0\n 16 17 1 0 0 0\n 17 18 1 0 0 0\n 18 19 1 0 0 0\n 19 20 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n13\n\n> <bondid>\n13\n\n$$$$\nRing21\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 21 21 0 0 0 999 V2000\n 13.0927 4.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7000 5.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7000 4.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4537 6.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4631 7.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5095 7.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5428 7.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5875 7.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6370 7.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6419 6.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6614 3.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6675 2.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6235 2.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5583 2.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5110 2.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4619 2.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4601 3.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4049 5.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4047 4.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4478 4.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4480 5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 2 10 1 0 0 0\n 3 11 1 0 0 0\n 17 19 1 0 0 0\n 18 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 11 12 1 0 0 0\n 12 13 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 15 16 1 0 0 0\n 16 17 1 0 0 0\n 19 20 1 0 0 0\n 20 1 1 0 0 0\n 1 21 1 0 0 0\n 21 18 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Allopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -4.1124 6.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6076 4.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5974 5.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4025 4.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5974 6.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3373 4.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9974 3.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2076 5.2058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7775 5.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6076 3.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1476 3.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4025 4.0109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1124 5.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7577 4.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7775 4.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9974 4.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8224 4.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 8 4 1 0 0 0\n 3 5 1 0 0 0\n 3 6 1 0 0 0\n 7 16 1 0 0 0\n 17 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Altropyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -6.8433 4.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3385 2.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.3283 3.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.1334 2.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.3283 4.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -8.0682 2.8852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.7283 1.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9384 3.3102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.5084 3.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3385 1.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8784 2.0003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.1334 2.1154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.8433 3.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4886 2.4303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.5084 2.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.7283 2.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.5532 2.4303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 8 4 1 0 0 0\n 3 5 1 0 0 0\n 3 6 1 0 0 0\n 7 16 1 0 0 0\n 17 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Galactopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -6.4899 2.6666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9851 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.9748 1.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.7800 1.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.9748 2.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -7.7148 1.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3749 -0.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -7.1998 0.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1550 1.7866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9851 -0.2631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5250 0.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.7800 0.4768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.4899 1.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1352 0.7918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1550 0.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3749 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5850 1.6717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 17 4 1 0 0 0\n 3 5 1 0 0 0\n 3 6 1 0 0 0\n 7 16 1 0 0 0\n 8 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Glucopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -7.7107 -0.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2094 -2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -8.1903 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.0088 -1.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -8.1903 -0.3955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.8273 -1.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -7.5674 -3.1539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -8.3831 -2.1108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3908 -1.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2094 -3.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.7680 -2.5360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -7.0088 -2.4222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -7.7107 -1.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3937 -2.1108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3908 -1.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.5674 -2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -8.8923 -1.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 6 4 1 0 0 0\n 3 5 1 0 0 0\n 3 17 1 0 0 0\n 7 16 1 0 0 0\n 8 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Gulopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -5.8152 3.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2901 1.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.2952 2.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1052 2.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.2952 3.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9101 2.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.6702 0.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.5202 1.9532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4801 2.9432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2901 0.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8551 1.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1052 1.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.8152 2.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4651 1.9532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4801 2.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.6702 1.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.0302 2.4032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 6 4 1 0 0 0\n 3 5 1 0 0 0\n 3 17 1 0 0 0\n 7 16 1 0 0 0\n 8 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Idopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -6.0079 2.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4782 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.4929 1.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2981 1.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.4929 2.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1031 1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.8630 -0.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.6879 0.8561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6731 1.8509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4782 -0.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0431 0.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2981 0.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.0079 1.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6533 0.8561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6731 0.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.8630 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.2329 1.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 6 4 1 0 0 0\n 3 5 1 0 0 0\n 3 17 1 0 0 0\n 7 16 1 0 0 0\n 8 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Mannopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -5.5581 1.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0527 -0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.0375 0.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8565 0.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.0375 1.7202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.7441 0.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.4199 -1.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.2352 0.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2339 1.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0527 -1.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6161 -0.4246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8565 -0.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.5581 1.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2325 0.0301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2339 0.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.4199 -0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6705 0.8751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 17 4 1 0 0 0\n 3 5 1 0 0 0\n 3 6 1 0 0 0\n 7 16 1 0 0 0\n 8 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Talopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -6.3613 0.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8363 -1.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.8414 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.6514 -1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.8414 0.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -7.5764 -1.2223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.2164 -2.6973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -7.0414 -1.6773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0263 -0.6572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8363 -2.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4013 -2.0723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.6514 -1.9874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3613 -0.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0113 -1.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0263 -1.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.2164 -1.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4562 -0.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 17 4 1 0 0 0\n 3 5 1 0 0 0\n 3 6 1 0 0 0\n 7 16 1 0 0 0\n 8 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nfullerene C60\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 60 90 0 0 0 999 V2000\n 8.1533 -10.1609 -0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5120 -9.2753 0.7287 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7211 -9.6737 -1.3649 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4284 -7.8924 0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6441 -6.9280 1.4115 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8106 -9.6782 2.0415 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0295 -8.7030 3.0509 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9469 -7.3351 2.7388 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6766 -11.1024 -1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1155 -11.5835 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9755 -10.1416 -1.7961 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8475 -11.1110 0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6349 -10.8139 1.9708 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1564 -11.7548 1.1061 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9409 -11.4548 2.4787 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6874 -10.9874 2.9088 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0739 -8.9381 -2.1897 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7682 -9.8885 -1.4198 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6696 -9.0654 -2.3772 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0644 -10.9756 -0.8317 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3595 -11.3790 0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7598 -9.2142 -0.6853 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0558 -9.6210 0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3611 -10.6974 1.2254 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4123 -6.6547 -2.0401 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8008 -6.5277 -1.8552 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8430 -7.9304 -2.3022 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6373 -7.6755 -1.9309 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6791 -7.8462 -1.0006 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0147 -5.5656 -0.8513 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0674 -5.7391 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8951 -6.8726 0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9892 -7.4108 -0.7846 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5523 -6.1489 -0.5256 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6396 -8.3057 -1.6776 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7701 -5.7695 -1.1557 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7608 -5.0959 -0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3383 -5.8515 0.8323 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3403 -5.1700 1.5751 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5444 -4.7952 0.9518 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5476 -6.3919 2.2132 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8535 -5.4411 1.4456 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5858 -4.9664 1.8803 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9810 -6.8781 3.4234 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7114 -9.1401 2.8425 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2717 -8.6582 1.6457 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1904 -7.2758 1.3282 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0632 -8.2456 3.7369 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2924 -9.8955 4.0975 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9320 -10.7811 3.2133 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1480 -10.4012 2.5830 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8614 -8.6206 4.3621 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6340 -7.6127 4.2389 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0720 -8.8741 3.9774 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9055 -10.0226 3.9070 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0361 -7.4850 4.4331 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0254 -5.4466 3.0771 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6379 -5.5719 2.8889 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9380 -6.6611 3.4734 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7278 -6.4079 3.8535 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 1 3 1 0 0 0 0\n 1 12 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 6 1 0 0 0 0\n 3 11 2 0 0 0 0\n 3 35 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 33 1 0 0 0 0\n 5 8 1 0 0 0 0\n 5 38 1 0 0 0 0\n 6 7 2 0 0 0 0\n 6 13 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 54 1 0 0 0 0\n 8 59 2 0 0 0 0\n 9 10 2 0 0 0 0\n 9 11 1 0 0 0 0\n 9 20 1 0 0 0 0\n 10 12 1 0 0 0 0\n 10 14 1 0 0 0 0\n 11 19 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 16 1 0 0 0 0\n 14 15 2 0 0 0 0\n 14 21 1 0 0 0 0\n 15 16 1 0 0 0 0\n 15 50 1 0 0 0 0\n 16 55 2 0 0 0 0\n 17 18 1 0 0 0 0\n 17 19 2 0 0 0 0\n 17 28 1 0 0 0 0\n 18 20 2 0 0 0 0\n 18 22 1 0 0 0 0\n 19 27 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 24 2 0 0 0 0\n 22 23 2 0 0 0 0\n 22 29 1 0 0 0 0\n 23 24 1 0 0 0 0\n 23 46 1 0 0 0 0\n 24 51 1 0 0 0 0\n 25 26 1 0 0 0 0\n 25 27 2 0 0 0 0\n 25 36 1 0 0 0 0\n 26 28 2 0 0 0 0\n 26 30 1 0 0 0 0\n 27 35 1 0 0 0 0\n 28 29 1 0 0 0 0\n 29 32 2 0 0 0 0\n 30 31 2 0 0 0 0\n 30 37 1 0 0 0 0\n 31 32 1 0 0 0 0\n 31 42 1 0 0 0 0\n 32 47 1 0 0 0 0\n 33 34 1 0 0 0 0\n 33 35 2 0 0 0 0\n 34 36 2 0 0 0 0\n 34 38 1 0 0 0 0\n 36 37 1 0 0 0 0\n 37 40 2 0 0 0 0\n 38 39 2 0 0 0 0\n 39 40 1 0 0 0 0\n 39 58 1 0 0 0 0\n 40 43 1 0 0 0 0\n 41 42 1 0 0 0 0\n 41 44 2 0 0 0 0\n 41 47 1 0 0 0 0\n 42 43 2 0 0 0 0\n 43 57 1 0 0 0 0\n 44 48 1 0 0 0 0\n 44 60 1 0 0 0 0\n 45 46 1 0 0 0 0\n 45 48 2 0 0 0 0\n 45 51 1 0 0 0 0\n 46 47 2 0 0 0 0\n 48 52 1 0 0 0 0\n 49 50 1 0 0 0 0\n 49 52 2 0 0 0 0\n 49 55 1 0 0 0 0\n 50 51 2 0 0 0 0\n 52 56 1 0 0 0 0\n 53 54 2 0 0 0 0\n 53 56 1 0 0 0 0\n 53 59 1 0 0 0 0\n 54 55 1 0 0 0 0\n 56 60 2 0 0 0 0\n 57 58 2 0 0 0 0\n 57 60 1 0 0 0 0\n 58 59 1 0 0 0 0\nM END\n> <group>\n3D Templates\n\n> <atomid>\n18\n\n> <bondid>\n34\n\n$$$$\nadamantane\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 10 12 0 0 0 999 V2000\n 15.2172 -8.1314 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4398 -7.4133 -0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2919 -8.3429 -0.6392 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9004 -9.6792 -1.1737 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6785 -10.3958 -0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8276 -9.4680 0.4869 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8081 -9.1570 -0.6894 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.0325 -8.4390 -1.8401 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4215 -7.1042 -1.3049 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8828 -9.3683 -2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 4 10 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 2 9 1 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 5 6 1 0 0 0 0\n 8 10 1 0 0 0 0\n 2 3 1 0 0 0 0\nM END\n> <group>\n3D Templates\n\n> <atomid>\n1\n\n> <bondid>\n0\n$$$$\ncubane\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 8 12 0 0 0 999 V2000\n 10.5569 -9.9029 4.2925 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2017 -9.5628 4.9812 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5825 -8.4868 3.6463 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3483 -7.9339 4.8851 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9705 -9.0155 6.2193 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3256 -9.3519 5.5298 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2296 -8.1444 4.3386 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9966 -7.5972 5.5784 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0 0\n 3 1 1 0 0 0 0\n 1 6 1 0 0 0 0\n 2 5 1 0 0 0 0\n 7 2 1 0 0 0 0\n 3 4 1 0 0 0 0\n 7 3 1 0 0 0 0\n 4 6 1 0 0 0 0\n 8 4 1 0 0 0 0\n 5 6 1 0 0 0 0\n 8 5 1 0 0 0 0\n 8 7 1 0 0 0 0\nM END\n> <atomid>\n0\n\n> <bondid>\n0\n\n> <group>\n3D Templates\n\n$$$$\nring 6 boat\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 11.2934 -7.8385 -0.6482 H 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2480 -6.3919 0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1209 -8.2282 2.2065 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5795 -10.2283 0.6541 H 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2777 -9.8706 -1.8252 H 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5448 -7.5081 -2.7767 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7930 -7.7993 -0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8567 -7.8369 0.7935 H 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7961 -6.3928 0.4449 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.0357 -7.4556 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7535 -9.8351 -1.1468 H 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0584 -10.2582 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6187 -8.3063 2.8894 H 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6881 -8.3653 -1.4688 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2260 -8.3597 -1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9985 -8.7537 0.9805 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5364 -8.7481 1.4094 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3614 -7.8158 0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 7 1 0 0 0 0\n 3 16 1 0 0 0 0\n 4 16 1 0 0 0 0\n 5 14 1 0 0 0 0\n 6 14 1 0 0 0 0\n 7 14 1 0 0 0 0\n 7 16 1 0 0 0 0\n 8 18 1 0 0 0 0\n 9 18 1 0 0 0 0\n 10 15 1 0 0 0 0\n 11 15 1 0 0 0 0\n 12 17 1 0 0 0 0\n 13 17 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 18 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 1 7 1 0 0 0 0\nM END\n> <atomid>\n0\n\n> <bondid>\n17\n\n> <group>\n3D Templates\n\n$$$$\nring 6 chair\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 6.4738 -5.6532 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4541 -4.2314 0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2774 -5.9986 2.2013 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7022 -8.0409 0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4210 -7.7512 -1.7876 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7429 -5.4159 -2.7877 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0262 -7.2017 0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0549 -8.6186 -0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6856 -6.5861 1.4297 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7917 -7.4939 2.7473 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0968 -5.1271 1.7849 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1503 -6.5687 0.9919 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3966 -6.2651 -1.0354 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5752 -7.1963 0.2541 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8371 -4.7668 -0.6787 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2658 -6.7684 -2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8611 -6.2475 -1.4612 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9719 -5.6379 -0.3097 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 18 1 0 0 0 0\n 3 12 1 0 0 0 0\n 4 12 1 0 0 0 0\n 5 17 1 0 0 0 0\n 6 17 1 0 0 0 0\n 7 14 1 0 0 0 0\n 8 14 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\n 9 12 1 0 0 0 0\n 9 14 1 0 0 0 0\n 12 18 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 1 0 0 0 0\n 13 16 1 0 0 0 0\n 13 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 1 18 1 0 0 0 0\nM END\n> <atomid>\n0\n\n> <bondid>\n17\n\n> <group>\n3D Templates\n\n$$$$\nferrocene\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 21 30 0 0 0 999 V2000\n 10.7433 -4.6065 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1199 -5.2233 1.4626 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8813 -5.4347 2.6717 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9893 -4.9432 0.9828 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0583 -4.4230 -1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8850 -5.0258 0.7924 C 0 0 0 0 0 5 0 0 0 0 0 0\n 8.5484 -4.7171 -0.5593 C 0 0 0 0 0 5 0 0 0 0 0 0\n 10.0737 -4.8235 -0.3755 C 0 0 0 0 0 5 0 0 0 0 0 0\n 10.3426 -5.1926 1.0905 C 0 0 0 0 0 5 0 0 0 0 0 0\n 8.9947 -5.3190 1.8095 C 0 0 0 0 0 4 0 0 0 0 0 0\n 9.0287 -7.2803 -0.0160 Fe 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8301 -9.3252 -1.3831 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4779 -9.9251 1.0385 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9836 -10.0770 1.2682 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0339 -9.5923 -1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1165 -9.0779 -2.7663 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1539 -9.5146 -0.7880 C 0 0 0 0 0 5 0 0 0 0 0 0\n 9.0210 -9.2478 -1.7601 C 0 0 0 0 0 5 0 0 0 0 0 0\n 7.7109 -9.3705 -0.9994 C 0 0 0 0 0 5 0 0 0 0 0 0\n 8.0440 -9.7186 0.4389 C 0 0 0 0 0 5 0 0 0 0 0 0\n 9.5495 -9.8067 0.5699 C 0 0 0 0 0 4 0 0 0 0 0 0\n 1 8 1 0 0 0 0\n 2 9 1 0 0 0 0\n 3 10 1 0 0 0 0\n 4 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 6 7 2 0 0 0 0\n 6 10 1 0 0 0 0\n 6 11 1 0 0 0 0\n 7 11 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 11 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 17 1 0 0 0 0\n 11 18 1 0 0 0 0\n 11 19 1 0 0 0 0\n 11 20 1 0 0 0 0\n 11 21 1 0 0 0 0\n 12 19 1 0 0 0 0\n 13 20 1 0 0 0 0\n 14 21 1 0 0 0 0\n 15 17 1 0 0 0 0\n 16 18 1 0 0 0 0\n 17 18 2 0 0 0 0\n 17 21 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 2 0 0 0 0\n 20 21 1 0 0 0 0\n 7 8 1 0 0 0 0\nM CHG 3 10 -1 11 2 21 -1\nM END\n> <atomid>\n0\n\n> <bondid>\n29\n\n> <group>\n3D Templates\n\n$$$$\nbis(benzene)chromium\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 25 36 0 0 0 999 V2000\n 6.4355 -9.0395 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9645 -9.0205 -1.1098 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8350 -9.9405 1.0201 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6010 -8.0061 -3.3654 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5675 -9.9807 1.0831 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6580 -7.9387 -3.4841 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7133 -8.9130 -1.0583 C 0 0 0 0 0 5 0 0 0 0 0 0\n 8.4060 -9.4512 0.1516 C 0 0 0 0 0 5 0 0 0 0 0 0\n 9.9460 -9.4512 0.1516 C 0 0 0 0 0 5 0 0 0 0 0 0\n 7.6316 -8.9131 -1.0546 C 0 0 0 0 0 5 0 0 0 0 0 0\n 9.9423 -8.3732 -2.2747 C 0 0 0 0 0 5 0 0 0 0 0 0\n 8.4043 -8.3734 -2.2720 C 0 0 0 0 0 5 0 0 0 0 0 0\n 9.1789 -6.5719 0.0084 Cr 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4896 -4.2075 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9323 -4.0735 0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6895 -3.2859 -0.8924 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7804 -5.1073 3.2258 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3721 -3.1694 -1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8953 -5.2543 3.5528 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7017 -4.2171 0.9515 C 0 0 0 0 0 5 0 0 0 0 0 0\n 8.3254 -3.7502 -0.0765 C 0 0 0 0 0 5 0 0 0 0 0 0\n 9.8419 -3.7057 -0.1884 C 0 0 0 0 0 5 0 0 0 0 0 0\n 7.6652 -4.2995 1.1662 C 0 0 0 0 0 5 0 0 0 0 0 0\n 10.0444 -4.7658 2.2003 C 0 0 0 0 0 5 0 0 0 0 0 0\n 8.5286 -4.8076 2.3055 C 0 0 0 0 0 5 0 0 0 0 0 0\n 1 10 1 0 0 0 0\n 2 7 1 0 0 0 0\n 3 8 1 0 0 0 0\n 4 11 1 0 0 0 0\n 5 9 1 0 0 0 0\n 6 12 1 0 0 0 0\n 7 9 1 0 0 0 0\n 7 11 2 0 0 0 0\n 7 13 1 0 0 0 0\n 8 10 1 0 0 0 0\n 8 13 1 0 0 0 0\n 9 13 1 0 0 0 0\n 10 12 2 0 0 0 0\n 10 13 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 20 1 0 0 0 0\n 13 21 1 0 0 0 0\n 13 22 1 0 0 0 0\n 13 23 1 0 0 0 0\n 13 24 1 0 0 0 0\n 13 25 1 0 0 0 0\n 14 23 1 0 0 0 0\n 15 20 1 0 0 0 0\n 16 21 1 0 0 0 0\n 17 24 1 0 0 0 0\n 18 22 1 0 0 0 0\n 19 25 1 0 0 0 0\n 20 22 1 0 0 0 0\n 20 24 2 0 0 0 0\n 21 22 2 0 0 0 0\n 21 23 1 0 0 0 0\n 23 25 2 0 0 0 0\n 24 25 1 0 0 0 0\n 8 9 2 0 0 0 0\nM END\n> <atomid>\n13\n\n> <bondid>\n32\n\n> <group>\n3D Templates\n\n$$$$\nB12H12(2-)\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 24 42 0 0 0 999 V2000\n 12.4312 -3.2376 0.4439 B 0 0 0 0 0 6 0 0 0 0 0 0\n 16.4207 -5.8576 -0.2695 B 0 0 0 0 0 6 0 0 0 0 0 0\n 14.1001 -6.2706 3.8919 B 0 0 0 0 0 6 0 0 0 0 0 0\n 9.3404 -6.0750 2.9813 B 0 0 0 0 0 6 0 0 0 0 0 0\n 8.7969 -5.5378 -1.7981 B 0 0 0 0 0 6 0 0 0 0 0 0\n 13.1757 -5.4213 -3.7933 B 0 0 0 0 0 6 0 0 0 0 0 0\n 8.1864 -9.9878 0.2781 B 0 0 0 0 0 6 0 0 0 0 0 0\n 10.5209 -9.5795 -3.9123 B 0 0 0 0 0 6 0 0 0 0 0 0\n 15.2666 -9.7699 -2.9723 B 0 0 0 0 0 6 0 0 0 0 0 0\n 15.8533 -10.3140 1.7916 B 0 0 0 0 0 6 0 0 0 0 0 0\n 11.4884 -10.4352 3.7578 B 0 0 0 0 0 6 0 0 0 0 0 0\n 12.1760 -12.6074 -0.4354 B 0 0 0 0 0 6 0 0 0 0 0 0\n 12.4749 -1.7046 0.5839 H 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8310 -5.1795 -0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6662 -5.7081 5.2069 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3627 -5.4572 3.9536 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6209 -4.7599 -2.4114 H 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4468 -4.5890 -5.0444 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8191 -10.6723 0.3591 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9409 -10.1369 -5.1983 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.2582 -10.3930 -3.9739 H 0 0 0 0 0 0 0 0 0 0 0 0\n 17.0014 -11.0826 2.4636 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1894 -11.2582 5.0672 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1461 -14.1455 -0.6043 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 1 5 1 0 0 0 0\n 1 6 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 6 1 0 0 0 0\n 2 9 1 0 0 0 0\n 2 10 1 0 0 0 0\n 2 14 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 10 1 0 0 0 0\n 3 11 1 0 0 0 0\n 3 15 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 7 1 0 0 0 0\n 4 11 1 0 0 0 0\n 4 16 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 5 17 1 0 0 0 0\n 6 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 6 18 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 11 1 0 0 0 0\n 7 12 1 0 0 0 0\n 7 19 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 12 1 0 0 0 0\n 8 20 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 12 1 0 0 0 0\n 9 21 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 10 22 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 23 1 0 0 0 0\n 12 24 1 0 0 0 0\n 1 13 1 0 0 0 0\nM CHG 2 1 -1 12 -1\nM END\n> <atomid>\n12\n\n> <bondid>\n0\n\n> <group>\n3D Templates\n\n$$$$\nvitamin B12\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n103114 0 0 0 999 V2000\n 10.0126 -6.0489 -13.5041 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2665 -4.8038 -15.4155 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0719 -4.7946 -16.7187 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8472 -5.1986 -15.5844 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9546 -4.9961 -16.0533 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4802 -5.5205 -14.6269 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.3257 -5.3477 -15.0230 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.2452 -5.9492 -13.5110 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9757 -6.4703 -12.1989 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.5273 -7.2118 -10.3388 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.0197 -7.7946 -8.9278 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5538 -8.5006 -7.2370 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8115 -8.8424 -6.3353 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3804 -8.3915 -7.4797 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3227 -8.6564 -7.0103 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7712 -8.1015 -8.4087 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5465 -8.2236 -8.2815 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6917 -7.9286 -10.2200 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4134 -6.8953 -11.4432 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6144 -6.7969 -11.5192 Co 0 0 0 0 0 6 0 0 0 0 0 0\n 12.2857 -5.9898 -13.6053 N 0 0 0 0 0 4 0 0 0 0 0 0\n 15.8974 -6.2784 -12.7299 N 0 0 0 0 0 4 0 0 0 0 0 0\n 14.9683 -7.6066 -9.4297 N 0 0 0 0 0 4 0 0 0 0 0 0\n 11.3583 -7.3147 -10.3330 N 0 0 0 0 0 3 0 0 0 0 0 0\n 13.6089 -4.2778 -10.6365 C 0 0 0 0 0 4 0 0 0 0 0 0\n 9.5801 -8.7584 -13.9042 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4453 -2.8614 -14.8927 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4101 -5.8354 -16.5037 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1634 -2.8242 -17.7312 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3864 -5.7747 -18.2208 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.5249 -7.0185 -16.5061 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.7675 -3.5479 -15.3782 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.4569 -10.0661 -7.3817 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.4052 -7.9169 -6.3130 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8156 -7.2528 -4.7450 H 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7237 -10.7118 -5.8515 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9023 -10.1564 -7.4863 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7957 -6.6276 -6.9202 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9087 -6.6565 -10.0941 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0783 -9.8969 -11.0575 H 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5150 -4.2054 -18.0068 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7364 -9.4165 -5.0289 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5533 -10.7271 -8.9073 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9804 -5.8129 -10.9834 H 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6757 -11.3323 -13.1820 N 0 0 0 0 0 4 0 0 0 0 0 0\n 12.8841 -12.0634 -13.1495 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5374 -11.8140 -13.4950 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3354 -12.8901 -13.6165 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2952 -13.0084 -13.3833 N 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5439 -11.4691 -13.6699 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.2732 -12.1354 -13.9651 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.0710 -13.2114 -14.0865 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0926 -13.5594 -13.9132 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2799 -11.7879 -14.1397 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.7994 -13.8782 -14.3561 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8380 -13.7498 -13.5877 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9307 -14.2220 -12.4729 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5996 -14.2426 -12.2918 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7574 -15.0262 -10.3782 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5040 -14.9970 -10.5281 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2774 -15.6088 -12.6360 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7189 -11.9931 -14.1935 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6269 -15.5329 -15.5283 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6856 -17.1207 -10.1971 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3152 -17.1087 -8.3976 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0383 -13.2992 -8.9005 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7202 -15.8056 -13.5771 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7327 -12.3458 -12.9365 P 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7235 -12.3118 -12.2754 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7534 -13.6586 -12.6192 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5577 -13.4895 -11.9328 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4710 -13.0662 -12.5859 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7849 -11.8224 -15.4096 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7267 -12.4339 -11.0249 H 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2585 -14.6633 -11.3010 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2011 -14.0490 -11.8767 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2182 -12.9593 -10.6096 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3586 -11.2160 -12.3884 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1340 -13.0039 -9.7572 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5516 -7.1810 -10.1929 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2010 -6.3792 -10.1999 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4260 -8.3234 -10.2821 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6452 -3.0804 -15.0021 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2828 -2.3624 -15.0118 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3796 -4.2070 -15.0993 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6112 -4.4140 -18.1337 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5579 -2.8834 -18.0956 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9350 -1.8793 -18.0952 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5332 -1.9770 -18.0310 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.6329 -2.8548 -15.4074 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4644 -3.4580 -15.4721 N 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6644 -2.1519 -15.4294 O 0 0 0 0 0 0 0 0 0 0 0 0\n 20.3112 -4.5349 -12.8385 H 0 0 0 0 0 0 0 0 0 0 0 0\n 20.3404 -7.4169 -13.9250 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.0913 -8.6322 -13.9674 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.6425 -9.7675 -13.9743 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.1661 -10.6445 -13.9755 N 0 0 0 0 0 0 0 0 0 0 0 0\n 19.7050 -10.3118 -14.0278 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5025 -11.2248 -5.7907 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.7454 -12.5808 -5.8163 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1068 -13.4968 -5.8671 N 0 0 0 0 0 0 0 0 0 0 0 0\n 18.9107 -13.2774 -5.7859 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5851 -2.8203 -10.1780 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 19 1 0 0 0 0\n 1 21 1 0 0 0 0\n 1 26 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 27 1 0 0 0 0\n 2 28 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 29 1 0 0 0 0\n 3 30 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 21 2 0 0 0 0\n 5 6 2 0 0 0 0\n 5 41 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 22 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 31 1 0 0 0 0\n 7 32 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 93 1 0 0 0 0\n 8 94 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 22 2 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 11 23 1 0 0 0 0\n 12 13 1 0 0 0 0\n 12 33 1 0 0 0 0\n 12 34 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 35 1 0 0 0 0\n 13 36 1 0 0 0 0\n 14 15 1 0 0 0 0\n 14 23 2 0 0 0 0\n 15 16 2 0 0 0 0\n 15 42 1 0 0 0 0\n 16 17 1 0 0 0 0\n 16 24 1 0 0 0 0\n 17 18 1 0 0 0 0\n 17 37 1 0 0 0 0\n 17 38 1 0 0 0 0\n 18 19 1 0 0 0 0\n 18 39 1 0 0 0 0\n 18 40 1 0 0 0 0\n 19 24 1 0 0 0 0\n 19 44 1 0 0 0 0\n 20 21 1 0 0 0 0\n 20 22 1 0 0 0 0\n 20 23 1 0 0 0 0\n 20 24 1 0 0 0 0\n 20 25 1 0 0 0 0\n 20 45 1 0 0 0 0\n 25103 3 0 0 0 0\n 27 83 1 0 0 0 0\n 30 86 1 0 0 0 0\n 32 90 1 0 0 0 0\n 36 99 1 0 0 0 0\n 37 43 1 0 0 0 0\n 39 80 1 0 0 0 0\n 43 77 1 0 0 0 0\n 45 46 2 0 0 0 0\n 45 47 1 0 0 0 0\n 46 49 1 0 0 0 0\n 47 48 2 0 0 0 0\n 47 50 1 0 0 0 0\n 48 49 1 0 0 0 0\n 48 53 1 0 0 0 0\n 49 58 1 0 0 0 0\n 50 51 2 0 0 0 0\n 51 52 1 0 0 0 0\n 51 54 1 0 0 0 0\n 52 53 2 0 0 0 0\n 52 55 1 0 0 0 0\n 56 57 1 0 0 0 0\n 56 58 1 0 0 0 0\n 56 62 1 0 0 0 0\n 56 63 1 0 0 0 0\n 57 60 1 0 0 0 0\n 57 67 1 0 0 0 0\n 57 69 1 0 0 0 0\n 58 59 1 0 0 0 0\n 58 61 1 0 0 0 0\n 59 60 1 0 0 0 0\n 60 64 1 0 0 0 0\n 60 66 1 0 0 0 0\n 64 65 1 0 0 0 0\n 68 69 1 0 0 0 0\n 68 70 1 0 0 0 0\n 68 73 2 0 0 0 0\n 68 78 1 0 0 0 0\n 70 71 1 0 0 0 0\n 71 72 1 0 0 0 0\n 71 74 1 0 0 0 0\n 71 75 1 0 0 0 0\n 72 76 1 0 0 0 0\n 76 77 1 0 0 0 0\n 77 79 2 0 0 0 0\n 80 81 1 0 0 0 0\n 80 82 2 0 0 0 0\n 83 85 2 0 0 0 0\n 86 87 1 0 0 0 0\n 87 88 1 0 0 0 0\n 87 89 2 0 0 0 0\n 90 91 1 0 0 0 0\n 90 92 2 0 0 0 0\n 94 95 1 0 0 0 0\n 95 96 1 0 0 0 0\n 96 97 1 0 0 0 0\n 96 98 2 0 0 0 0\n 99100 1 0 0 0 0\n100101 1 0 0 0 0\n100102 2 0 0 0 0\n 83 84 1 0 0 0 0\nM CHG 4 20 3 24 -1 25 -1 78 -1\nM END\n> <atomid>\n83\n\n> <bondid>\n113\n\n> <group>\n3D Templates\n\n$$$$\nsucrose\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 31 32 0 0 0 999 V2000\n 5.2890 -7.5286 -0.0614 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6624 -5.1211 -0.7785 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2941 -5.7056 2.0759 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9494 -7.5048 1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0481 -8.2707 -1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2890 -4.4624 -0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3001 -5.0862 0.5701 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1244 -4.8497 1.9163 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5502 -3.7821 0.2011 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2117 -6.2026 0.8774 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3725 -5.8284 -1.8918 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3225 -6.4586 -0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2839 -6.9390 -1.5749 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5059 -7.2324 -2.8968 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5117 -6.1824 -4.0570 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2609 -5.5788 -0.5948 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9153 -6.8782 -0.1205 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4269 -6.7225 2.4575 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3241 -8.0774 2.1099 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1140 -7.8468 -1.0282 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3110 -9.0856 -0.5158 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5240 -8.9610 1.2547 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7799 -10.1548 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8853 -8.7670 1.9939 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6894 -7.6334 1.4979 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4355 -6.9446 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0396 -5.5329 0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4050 -5.2699 -0.5577 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7885 -9.0951 -0.3085 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1875 -10.4160 -0.8042 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0011 -11.7179 -0.6982 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 12 1 0 0 0 0\n 2 12 1 0 0 0 0\n 3 10 1 0 0 0 0\n 4 10 1 0 0 0 0\n 5 13 1 0 0 0 0\n 6 16 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 7 10 1 0 0 0 0\n 7 16 1 0 0 0 0\n 10 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 11 16 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 26 1 0 0 0 0\n 18 25 1 0 0 0 0\n 19 25 1 0 0 0 0\n 20 26 1 0 0 0 0\n 20 29 1 0 0 0 0\n 21 29 1 0 0 0 0\n 22 23 1 0 0 0 0\n 22 24 1 0 0 0 0\n 22 25 1 0 0 0 0\n 22 29 1 0 0 0 0\n 25 26 1 0 0 0 0\n 26 27 1 0 0 0 0\n 29 30 1 0 0 0 0\n 30 31 1 0 0 0 0\n 27 28 1 0 0 0 0\nM END\n> <atomid>\n20\n\n> <bondid>\n22\n\n> <group>\n3D Templates\n\n$$$$\nMo7O24\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 31 42 0 0 0 999 V2000\n 8.3825 -6.6288 0.5307 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0566 -8.0054 0.0391 O 0 0 0 0 0 2 0 0 0 0 0 0\n 9.6225 -7.1718 1.1905 O 0 0 0 0 0 2 0 0 0 0 0 0\n 7.4634 -4.7037 0.3717 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7036 -5.2443 1.0328 O 0 0 0 0 0 2 0 0 0 0 0 0\n 6.5457 -2.7785 0.2130 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3026 -2.2284 -0.4344 O 0 0 0 0 0 2 0 0 0 0 0 0\n 6.8689 -1.3946 0.7160 O 0 0 0 0 0 2 0 0 0 0 0 0\n 7.7859 -3.3192 0.8741 O 0 0 0 0 0 2 0 0 0 0 0 0\n 7.8935 -5.8337 -1.3972 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5257 -7.2356 -1.8700 O 0 0 0 0 0 2 0 0 0 0 0 0\n 9.1639 -6.3573 -0.7629 O 0 0 0 0 0 2 0 0 0 0 0 0\n 8.6584 -5.5970 -2.7259 O 0 0 0 0 0 2 0 0 0 0 0 0\n 6.9618 -3.8926 -1.5768 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6757 -3.3420 -2.2214 O 0 0 0 0 0 2 0 0 0 0 0 0\n 6.6072 -5.3104 -2.0267 O 0 0 0 0 0 2 0 0 0 0 0 0\n 7.3276 -2.5064 -1.0793 O 0 0 0 0 0 2 0 0 0 0 0 0\n 8.2454 -4.4322 -0.9197 O 0 0 0 0 0 3 0 0 0 0 0 0\n 7.7257 -3.6594 -2.9288 O 0 0 0 0 0 2 0 0 0 0 0 0\n 6.3294 -6.3423 1.1548 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9769 -7.6983 0.6446 O 0 0 0 0 0 2 0 0 0 0 0 0\n 7.5984 -6.9043 1.8353 O 0 0 0 0 0 2 0 0 0 0 0 0\n 5.5195 -6.6078 2.4374 O 0 0 0 0 0 2 0 0 0 0 0 0\n 7.1374 -6.0780 -0.1178 O 0 0 0 0 0 4 0 0 0 0 0 0\n 5.4562 -4.4102 0.9865 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1170 -5.7537 0.4947 O 0 0 0 0 0 2 0 0 0 0 0 0\n 6.6789 -4.9771 1.6760 O 0 0 0 0 0 3 0 0 0 0 0 0\n 4.2276 -3.8981 0.3645 O 0 0 0 0 0 2 0 0 0 0 0 0\n 5.7599 -3.0518 1.5169 O 0 0 0 0 0 2 0 0 0 0 0 0\n 4.6888 -4.6683 2.2585 O 0 0 0 0 0 2 0 0 0 0 0 0\n 6.2191 -4.1522 -0.2765 O 0 0 0 0 0 4 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 1 3 2 0 0 0 0\n 1 5 1 0 0 0 0\n 1 12 1 0 0 0 0\n 1 22 1 0 0 0 0\n 1 24 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 9 1 0 0 0 0\n 4 18 1 0 0 0 0\n 4 24 1 0 0 0 0\n 4 27 1 0 0 0 0\n 4 31 1 0 0 0 0\n 6 7 2 0 0 0 0\n 6 8 2 0 0 0 0\n 6 9 1 0 0 0 0\n 6 17 1 0 0 0 0\n 6 29 1 0 0 0 0\n 6 31 1 0 0 0 0\n 10 11 2 0 0 0 0\n 10 12 1 0 0 0 0\n 10 13 2 0 0 0 0\n 10 16 1 0 0 0 0\n 10 18 1 0 0 0 0\n 10 24 1 0 0 0 0\n 14 15 2 0 0 0 0\n 14 16 1 0 0 0 0\n 14 17 1 0 0 0 0\n 14 18 1 0 0 0 0\n 14 19 2 0 0 0 0\n 14 31 1 0 0 0 0\n 20 21 2 0 0 0 0\n 20 22 1 0 0 0 0\n 20 24 1 0 0 0 0\n 20 26 1 0 0 0 0\n 20 27 1 0 0 0 0\n 25 26 1 0 0 0 0\n 25 27 1 0 0 0 0\n 25 28 2 0 0 0 0\n 25 29 1 0 0 0 0\n 25 30 2 0 0 0 0\n 25 31 1 0 0 0 0\n 20 23 2 0 0 0 0\nM CHG 8 1 6 2 -2 3 -2 4 6 5 -2 6 6 7 -2 8 -2\nM END\n> <atomid>\n1\n\n> <bondid>\n0\n\n> <group>\n3D Templates\n\n$$$$\nC20H20\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 40 50 0 0 0 999 V2000\n 7.5483 -7.7451 -3.3419 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3984 -5.8792 -3.4318 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3399 -6.5425 -1.9898 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6820 -3.9425 -1.6474 H 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8163 -7.1034 -1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5722 -4.7343 -0.6304 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1701 -7.2380 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8300 -6.9765 -2.5544 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6631 -7.1690 -1.5375 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4077 -9.5239 -2.1472 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9006 -10.0139 0.4722 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6600 -8.8749 0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5136 -5.9115 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5338 -7.8406 1.4379 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6981 -8.8654 3.4177 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4046 -10.6907 1.7143 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3185 -9.3106 0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4958 -10.8075 -0.1783 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5552 -7.8780 2.6983 H 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8522 -9.1147 0.4514 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1601 -8.2997 0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5774 -7.5989 1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6577 -4.0099 0.1683 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0808 -6.4894 -0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9123 -5.4699 -0.9424 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9155 -8.2329 2.0184 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0766 -7.5513 0.9147 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6780 -6.9857 3.3021 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5861 -5.8939 -0.2667 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9973 -5.0597 1.9875 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3193 -5.8429 1.5048 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4740 -4.7173 2.5743 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9809 -7.1457 1.9811 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8270 -6.1245 1.2483 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0023 -5.4308 0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9125 -8.9385 -1.4737 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2374 -9.3522 -0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4116 -8.6461 -1.2148 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7726 -9.9758 -2.5047 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2577 -7.6250 -1.9478 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 40 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 9 1 0 0 0 0\n 3 25 1 0 0 0 0\n 3 40 1 0 0 0 0\n 4 25 1 0 0 0 0\n 5 7 1 0 0 0 0\n 6 29 1 0 0 0 0\n 7 21 1 0 0 0 0\n 7 29 1 0 0 0 0\n 7 40 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 24 1 0 0 0 0\n 9 38 1 0 0 0 0\n 10 38 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 17 1 0 0 0 0\n 12 27 1 0 0 0 0\n 12 38 1 0 0 0 0\n 13 24 1 0 0 0 0\n 14 27 1 0 0 0 0\n 15 26 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 26 1 0 0 0 0\n 17 37 1 0 0 0 0\n 18 37 1 0 0 0 0\n 19 22 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 21 37 1 0 0 0 0\n 22 26 1 0 0 0 0\n 22 34 1 0 0 0 0\n 23 35 1 0 0 0 0\n 24 27 1 0 0 0 0\n 24 35 1 0 0 0 0\n 25 29 1 0 0 0 0\n 25 35 1 0 0 0 0\n 26 33 1 0 0 0 0\n 27 33 1 0 0 0 0\n 28 33 1 0 0 0 0\n 29 34 1 0 0 0 0\n 30 34 1 0 0 0 0\n 31 32 1 0 0 0 0\n 31 33 1 0 0 0 0\n 31 35 1 0 0 0 0\n 36 37 1 0 0 0 0\n 36 38 1 0 0 0 0\n 36 39 1 0 0 0 0\n 36 40 1 0 0 0 0\n 31 34 1 0 0 0 0\nM END\n> <atomid>\n19\n\n> <bondid>\n27\n\n> <group>\n3D Templates\n\n$$$$\nCo4CO12\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 28 33 0 0 0 999 V2000\n 11.5119 -6.3872 0.2843 Co 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2537 -5.1567 0.9962 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1271 -4.1574 -1.8138 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1405 -4.5859 2.5258 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.6477 -4.5559 1.3649 O 0 0 0 0 0 3 0 0 0 0 0 0\n 10.9606 -3.0390 -2.8593 O 0 0 0 0 0 3 0 0 0 0 0 0\n 9.4644 -3.6875 3.6182 O 0 0 0 0 0 3 0 0 0 0 0 0\n 10.6811 -11.2763 3.0909 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1263 -9.1532 3.4762 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6597 -11.9110 3.5304 O 0 0 0 0 0 3 0 0 0 0 0 0\n 11.3435 -8.7342 4.0978 O 0 0 0 0 0 3 0 0 0 0 0 0\n 8.4053 -7.8212 -2.1068 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9144 -10.0973 -2.4249 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1429 -7.1175 -2.4596 O 0 0 0 0 0 3 0 0 0 0 0 0\n 7.4262 -10.5365 -2.9426 O 0 0 0 0 0 3 0 0 0 0 0 0\n 14.0567 -9.1427 -1.5415 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7234 -11.1613 -1.8250 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5969 -8.6889 -1.7190 O 0 0 0 0 0 3 0 0 0 0 0 0\n 14.0925 -11.7138 -2.1238 O 0 0 0 0 0 3 0 0 0 0 0 0\n 7.8227 -9.3450 1.4166 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6523 -9.0552 2.5252 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6963 -10.0134 2.2132 Co 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6352 -10.5336 1.7363 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.6119 -11.0927 3.0899 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9779 -10.0343 -1.2076 Co 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1257 -9.3771 -3.5447 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9140 -9.2088 -1.3937 Co 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3211 -9.1075 -6.0026 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 1 22 1 0 0 0 0\n 1 25 1 0 0 0 0\n 1 27 1 0 0 0 0\n 2 5 3 0 0 0 0\n 4 7 3 0 0 0 0\n 8 10 3 0 0 0 0\n 8 22 1 0 0 0 0\n 9 11 3 0 0 0 0\n 9 22 1 0 0 0 0\n 12 14 3 0 0 0 0\n 12 27 1 0 0 0 0\n 13 15 3 0 0 0 0\n 13 27 1 0 0 0 0\n 16 18 3 0 0 0 0\n 16 25 1 0 0 0 0\n 17 19 3 0 0 0 0\n 17 25 1 0 0 0 0\n 20 21 2 0 0 0 0\n 20 22 1 0 0 0 0\n 20 27 1 0 0 0 0\n 22 23 1 0 0 0 0\n 22 25 1 0 0 0 0\n 22 27 1 0 0 0 0\n 23 24 2 0 0 0 0\n 23 25 1 0 0 0 0\n 25 26 1 0 0 0 0\n 25 27 1 0 0 0 0\n 26 27 1 0 0 0 0\n 26 28 2 0 0 0 0\n 3 6 3 0 0 0 0\nM END\n> <atomid>\n0\n\n> <bondid>\n4\n\n> <group>\n3D Templates\n\n$$$$\nFeCO5\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 11 10 0 0 0 999 V2000\n 10.8202 -7.3426 0.0023 Fe 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9246 -7.3587 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7011 -7.0667 -1.5928 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7827 -7.6197 1.5703 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8213 -5.0591 0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8193 -9.6084 -0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4397 -6.8395 -2.8953 O 0 0 0 0 0 3 0 0 0 0 0 0\n 12.5339 -7.8271 2.8412 O 0 0 0 0 0 3 0 0 0 0 0 0\n 7.4162 -7.3784 0.0570 O 0 0 0 0 0 3 0 0 0 0 0 0\n 10.8213 -3.5367 0.5648 O 0 0 0 0 0 3 0 0 0 0 0 0\n 10.8194 -11.1133 -0.5606 O 0 0 0 0 0 3 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 1 5 1 0 0 0 0\n 1 6 1 0 0 0 0\n 2 9 3 0 0 0 0\n 3 7 3 0 0 0 0\n 4 8 3 0 0 0 0\n 6 11 3 0 0 0 0\n 5 10 3 0 0 0 0\nM END\n> <atomid>\n0\n\n> <bondid>\n0\n\n> <group>\n3D Templates\n\n$$$$\nChlorophyll A\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 71 79 0 0 0 999 V2000\n 11.3221 -15.0514 -29.5828 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2305 -13.9637 -30.5522 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1059 -13.0987 -31.6421 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2769 -12.0678 -31.9997 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0261 -10.6405 -32.9711 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4490 -9.5603 -33.3639 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3289 -8.2505 -34.2571 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7498 -7.5990 -34.3211 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7441 -8.4574 -33.4907 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4825 -8.0571 -33.3382 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5957 -9.1542 -32.3699 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1341 -8.8838 -32.1895 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.7396 -10.0405 -31.2878 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5583 -11.0170 -30.9261 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.7584 -12.4631 -29.9570 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3808 -13.5626 -29.5873 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5088 -14.8558 -28.7128 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0728 -15.5355 -28.6110 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0058 -16.8885 -27.9733 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0886 -14.6273 -29.4323 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7585 -13.1416 -30.2471 N 0 0 0 0 0 3 0 0 0 0 0 0\n 10.9009 -12.4760 -31.3615 N 0 0 0 0 0 4 0 0 0 0 0 0\n 12.0949 -9.9691 -32.6922 N 0 0 0 0 0 3 0 0 0 0 0 0\n 14.9259 -10.6395 -31.5603 N 0 0 0 0 0 4 0 0 0 0 0 0\n 12.9186 -11.5362 -31.4724 Mg 0 0 0 0 0 4 0 0 0 0 0 0\n 13.5390 -18.2856 -26.9337 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3880 -15.6838 -31.4531 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9642 -12.3313 -30.8874 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4960 -13.7478 -32.9395 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8210 -7.6311 -35.0395 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1900 -6.0441 -35.2381 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9034 -5.4078 -35.2032 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.0857 -7.4693 -32.9022 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.4839 -10.2094 -30.7490 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.7720 -11.1118 -31.7098 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.0404 -15.4632 -27.9161 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1151 -16.6720 -27.3536 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3024 -16.5936 -28.5919 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2137 -18.6651 -30.3987 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6234 -17.6524 -29.6841 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8802 -17.6043 -29.3038 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7110 -18.5710 -29.6384 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6710 -14.2462 -30.7495 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2457 -14.2569 -29.2809 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0077 -15.0783 -28.8478 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.7950 -14.5946 -25.7989 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4992 -15.1614 -27.9790 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7321 -14.3398 -28.4070 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6748 -12.8007 -28.3915 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2254 -14.4258 -27.5386 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9849 -15.2471 -27.1029 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0404 -16.7958 -27.1222 H 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5187 -15.3305 -26.2394 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7162 -14.5115 -26.6702 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6570 -12.9703 -26.6494 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1160 -12.3347 -25.3476 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4772 -12.8605 -23.6798 H 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8305 -13.0506 -25.7933 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4219 -12.9260 -26.1739 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1490 -10.7913 -25.3419 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8590 -10.0255 -25.6682 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5716 -7.7185 -25.9970 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0884 -8.2829 -27.4995 H 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8731 -8.4769 -25.6698 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6206 -8.2171 -24.8809 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5885 -6.1725 -25.9962 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7089 -5.4213 -26.3218 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7165 -3.8688 -26.3280 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0177 -1.5849 -26.6649 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0177 -3.1249 -26.6649 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3102 -3.9011 -26.9784 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 20 2 0 0 0 0\n 1 38 1 0 0 0 0\n 2 22 2 0 0 0 0\n 2 43 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 28 1 0 0 0 0\n 3 29 1 0 0 0 0\n 3 43 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 22 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 6 23 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 30 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 31 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 23 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 11 24 1 0 0 0 0\n 12 13 2 0 0 0 0\n 12 33 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 34 1 0 0 0 0\n 14 15 1 0 0 0 0\n 14 24 2 0 0 0 0\n 15 16 2 0 0 0 0\n 16 17 1 0 0 0 0\n 16 21 1 0 0 0 0\n 17 18 2 0 0 0 0\n 17 36 1 0 0 0 0\n 18 19 1 0 0 0 0\n 18 20 1 0 0 0 0\n 19 26 2 0 0 0 0\n 19 38 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 25 1 0 0 0 0\n 22 25 1 0 0 0 0\n 23 25 1 0 0 0 0\n 24 25 1 0 0 0 0\n 27 43 1 0 0 0 0\n 31 32 2 0 0 0 0\n 34 35 1 0 0 0 0\n 37 38 1 0 0 0 0\n 38 41 1 0 0 0 0\n 39 40 1 0 0 0 0\n 40 41 1 0 0 0 0\n 41 42 2 0 0 0 0\n 43 44 1 0 0 0 0\n 44 45 1 0 0 0 0\n 45 48 1 0 0 0 0\n 46 53 1 0 0 0 0\n 46 58 1 0 0 0 0\n 47 48 1 0 0 0 0\n 47 50 1 0 0 0 0\n 48 49 2 0 0 0 0\n 50 51 1 0 0 0 0\n 51 52 1 0 0 0 0\n 51 54 2 0 0 0 0\n 53 54 1 0 0 0 0\n 54 55 1 0 0 0 0\n 56 57 1 0 0 0 0\n 56 58 1 0 0 0 0\n 56 59 1 0 0 0 0\n 56 60 1 0 0 0 0\n 60 61 1 0 0 0 0\n 61 64 1 0 0 0 0\n 62 63 1 0 0 0 0\n 62 64 1 0 0 0 0\n 62 65 1 0 0 0 0\n 62 66 1 0 0 0 0\n 66 67 1 0 0 0 0\n 67 68 1 0 0 0 0\n 68 70 1 0 0 0 0\n 70 71 1 0 0 0 0\n 69 70 1 0 0 0 0\nM CHG 3 21 -1 23 -1 25 2\nM END\n> <atomid>\n31\n\n> <bondid>\n44\n\n> <group>\n3D Templates\n\n$$$$\nPhenylalanine mustard\n Ketcher 8252313372D 1 1.00000 0.00000 0\n\n 19 19 0 0 0 0 0 0 0 0999 V2000\n 18.7500 -9.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.7500 -9.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.2500 -9.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.7500 -10.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.7500 -10.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2500 -9.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2500 -9.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.7500 -10.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7500 -10.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2500 -9.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2500 -11.6071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2500 -11.6071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 21.2500 -9.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 21.7500 -9.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.7500 -9.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.2500 -8.1429 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 21.7500 -10.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.7500 -10.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.2500 -11.6071 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 2 3 1 0 0 0\n 3 4 2 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 9 11 1 0 0 0\n 8 12 1 1 0 0\n 3 13 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 15 16 1 0 0 0\n 13 17 1 0 0 0\n 17 18 1 0 0 0\n 18 19 1 0 0 0\nM END\n> <atomid>\n0\n\n> <bondid>\n0\n\n> <group>\nAromatics\n\n$$$$";
1005
1018
 
1006
1019
  var cachedInitData;
1007
1020
  var needReinitializeTemplateLibrary = false;
@@ -1120,8 +1133,8 @@ function prefetchRender(tmpls, baseUrl, cacheEl) {
1120
1133
  });
1121
1134
  }
1122
1135
 
1123
- function ownKeys$1l(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
1124
- function _objectSpread$1l(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1l(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1l(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
1136
+ function ownKeys$1m(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
1137
+ function _objectSpread$1m(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1m(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1m(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
1125
1138
  var initOptionsState = {
1126
1139
  app: {
1127
1140
  server: false,
@@ -1219,29 +1232,29 @@ function optionsReducer() {
1219
1232
  var action = arguments.length > 1 ? arguments[1] : undefined;
1220
1233
  var type = action.type,
1221
1234
  data = action.data;
1222
- if (type === 'APP_OPTIONS') return _objectSpread$1l(_objectSpread$1l({}, state), {}, {
1223
- app: _objectSpread$1l(_objectSpread$1l({}, state.app), data)
1235
+ if (type === 'APP_OPTIONS') return _objectSpread$1m(_objectSpread$1m({}, state), {}, {
1236
+ app: _objectSpread$1m(_objectSpread$1m({}, state.app), data)
1224
1237
  });
1225
1238
  if (type === 'SAVE_SETTINGS') {
1226
- return _objectSpread$1l(_objectSpread$1l({}, state), {}, {
1227
- settings: _objectSpread$1l(_objectSpread$1l({}, state.settings), data)
1239
+ return _objectSpread$1m(_objectSpread$1m({}, state), {}, {
1240
+ settings: _objectSpread$1m(_objectSpread$1m({}, state.settings), data)
1228
1241
  });
1229
1242
  }
1230
- if (type === 'SAVE_CHECK_OPTS') return _objectSpread$1l(_objectSpread$1l({}, state), {}, {
1243
+ if (type === 'SAVE_CHECK_OPTS') return _objectSpread$1m(_objectSpread$1m({}, state), {}, {
1231
1244
  check: data
1232
1245
  });
1233
- if (type === 'CHANGE_ANALYSE') return _objectSpread$1l(_objectSpread$1l({}, state), {}, {
1234
- analyse: _objectSpread$1l(_objectSpread$1l(_objectSpread$1l({}, state.analyse), data), {}, {
1246
+ if (type === 'CHANGE_ANALYSE') return _objectSpread$1m(_objectSpread$1m({}, state), {}, {
1247
+ analyse: _objectSpread$1m(_objectSpread$1m(_objectSpread$1m({}, state.analyse), data), {}, {
1235
1248
  loading: false
1236
1249
  })
1237
1250
  });
1238
- if (type === 'ANALYSE_LOADING') return _objectSpread$1l(_objectSpread$1l({}, state), {}, {
1239
- analyse: _objectSpread$1l(_objectSpread$1l({}, state.analyse), {}, {
1251
+ if (type === 'ANALYSE_LOADING') return _objectSpread$1m(_objectSpread$1m({}, state), {}, {
1252
+ analyse: _objectSpread$1m(_objectSpread$1m({}, state.analyse), {}, {
1240
1253
  loading: true
1241
1254
  })
1242
1255
  });
1243
- if (recognizeActions.includes(type)) return _objectSpread$1l(_objectSpread$1l({}, state), {}, {
1244
- recognize: _objectSpread$1l(_objectSpread$1l({}, state.recognize), data)
1256
+ if (recognizeActions.includes(type)) return _objectSpread$1m(_objectSpread$1m({}, state), {}, {
1257
+ recognize: _objectSpread$1m(_objectSpread$1m({}, state.recognize), data)
1245
1258
  });
1246
1259
  return state;
1247
1260
  }
@@ -1545,8 +1558,8 @@ function getSdataDefault() {
1545
1558
  return schema[context][fieldName] ? schema[context][fieldName].properties.fieldValue["default"] : '';
1546
1559
  }
1547
1560
 
1548
- function ownKeys$1k(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
1549
- function _objectSpread$1k(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1k(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1k(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
1561
+ function ownKeys$1l(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
1562
+ function _objectSpread$1l(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1l(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1l(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
1550
1563
  var initSdata = function initSdata(schema) {
1551
1564
  var isCustomShema = schema.key === 'Custom';
1552
1565
  var context = isCustomShema ? getSdataDefault(sdataCustomSchema, 'context') : getSdataDefault(sdataSchema);
@@ -1584,7 +1597,7 @@ var onContextChange = function onContextChange(state, payload) {
1584
1597
  var fValue = fieldValue;
1585
1598
  if (fValue === state.result.fieldValue) fValue = getSdataDefault(sdataCustomSchema, 'fieldValue');
1586
1599
  return {
1587
- result: _objectSpread$1k(_objectSpread$1k({}, payload), {}, {
1600
+ result: _objectSpread$1l(_objectSpread$1l({}, payload), {}, {
1588
1601
  context: context,
1589
1602
  fieldName: fieldName,
1590
1603
  fieldValue: fValue
@@ -1598,7 +1611,7 @@ var onFieldNameChange = function onFieldNameChange(state, payload) {
1598
1611
  if (sdataSchema[context][fieldName]) fieldValue = getSdataDefault(sdataSchema, context, fieldName);
1599
1612
  if (fieldValue === state.result.fieldValue && sdataSchema[context][state.result.fieldName]) fieldValue = '';
1600
1613
  return {
1601
- result: _objectSpread$1k(_objectSpread$1k({}, payload), {}, {
1614
+ result: _objectSpread$1l(_objectSpread$1l({}, payload), {}, {
1602
1615
  fieldName: fieldName,
1603
1616
  fieldValue: fieldValue
1604
1617
  })
@@ -1606,7 +1619,7 @@ var onFieldNameChange = function onFieldNameChange(state, payload) {
1606
1619
  };
1607
1620
  function sdataReducer(state, action) {
1608
1621
  if (action.data.result.init) {
1609
- return correctErrors(_objectSpread$1k(_objectSpread$1k({}, state), {}, {
1622
+ return correctErrors(_objectSpread$1l(_objectSpread$1l({}, state), {}, {
1610
1623
  result: Object.assign({}, state.result, action.data.result)
1611
1624
  }), action.data);
1612
1625
  }
@@ -1614,7 +1627,7 @@ function sdataReducer(state, action) {
1614
1627
  var actionFieldName = action.data.result.fieldName;
1615
1628
  var newstate = null;
1616
1629
  if (actionContext !== state.result.context) newstate = onContextChange(state, action.data.result);else if (actionFieldName !== state.result.fieldName) newstate = onFieldNameChange(state, action.data.result);
1617
- newstate = newstate || _objectSpread$1k(_objectSpread$1k({}, state), {}, {
1630
+ newstate = newstate || _objectSpread$1l(_objectSpread$1l({}, state), {}, {
1618
1631
  result: Object.assign({}, state.result, action.data.result)
1619
1632
  });
1620
1633
  return correctErrors(newstate, action.data);
@@ -1754,8 +1767,8 @@ function formReducer(state, action) {
1754
1767
  var INDIGO_VERIFICATION = 'INDIGO_VERIFICATION';
1755
1768
  var ANALYZING_FILE = 'ANALYZING_FILE';
1756
1769
 
1757
- function ownKeys$1j(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
1758
- function _objectSpread$1j(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1j(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1j(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
1770
+ function ownKeys$1k(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
1771
+ function _objectSpread$1k(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1k(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1k(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
1759
1772
  function indigoVerification(data) {
1760
1773
  return {
1761
1774
  type: INDIGO_VERIFICATION,
@@ -1780,13 +1793,13 @@ function requestReducer () {
1780
1793
  switch (type) {
1781
1794
  case INDIGO_VERIFICATION:
1782
1795
  {
1783
- return _objectSpread$1j(_objectSpread$1j({}, state), {}, {
1796
+ return _objectSpread$1k(_objectSpread$1k({}, state), {}, {
1784
1797
  indigoVerification: data
1785
1798
  });
1786
1799
  }
1787
1800
  case ANALYZING_FILE:
1788
1801
  {
1789
- return _objectSpread$1j(_objectSpread$1j({}, state), {}, {
1802
+ return _objectSpread$1k(_objectSpread$1k({}, state), {}, {
1790
1803
  isAnalyzingFile: data
1791
1804
  });
1792
1805
  }
@@ -1804,8 +1817,8 @@ var supportedSGroupTypes = {
1804
1817
  queryComponent: 'queryComponent'
1805
1818
  };
1806
1819
 
1807
- function ownKeys$1i(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
1808
- function _objectSpread$1i(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1i(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1i(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
1820
+ function ownKeys$1j(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
1821
+ function _objectSpread$1j(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1j(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1j(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
1809
1822
  var atom = {
1810
1823
  title: 'Atom',
1811
1824
  type: 'object',
@@ -2037,7 +2050,7 @@ var sgroup = {
2037
2050
  title: 'SGroup',
2038
2051
  type: 'object',
2039
2052
  required: ['type'],
2040
- oneOf: [_objectSpread$1i({}, sdataCustomSchema), {
2053
+ oneOf: [_objectSpread$1j({}, sdataCustomSchema), {
2041
2054
  key: 'MUL',
2042
2055
  title: 'Multiple group',
2043
2056
  type: 'object',
@@ -2144,12 +2157,12 @@ var attachSchema = {
2144
2157
 
2145
2158
  var _excluded$z = ["aromaticity", "ringMembership", "ringSize", "connectivity", "chirality", "customQuery"],
2146
2159
  _excluded2$7 = ["type", "radiobuttons"];
2147
- function ownKeys$1h(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
2148
- function _objectSpread$1h(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1h(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1h(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
2160
+ function ownKeys$1i(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
2161
+ function _objectSpread$1i(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1i(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1i(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
2149
2162
  var DefaultStereoGroupNumber = 1;
2150
2163
  function fromElement(selem) {
2151
2164
  if (selem.label === 'R#') {
2152
- return _objectSpread$1h({
2165
+ return _objectSpread$1i({
2153
2166
  type: 'rlabel',
2154
2167
  values: fromRlabel(selem.rglabel)
2155
2168
  }, selem);
@@ -2406,7 +2419,7 @@ function fromBond(sbond) {
2406
2419
  }
2407
2420
  function toBond(bond) {
2408
2421
  var isCustomQuery = bond.customQuery !== '';
2409
- return _objectSpread$1h({
2422
+ return _objectSpread$1i({
2410
2423
  topology: bond.topology,
2411
2424
  reactingCenterStatus: bond.center,
2412
2425
  customQuery: !isCustomQuery ? null : bond.customQuery
@@ -2502,7 +2515,7 @@ function toSgroup(sgroup) {
2502
2515
  var type = sgroup.type,
2503
2516
  radiobuttons = sgroup.radiobuttons,
2504
2517
  props = _objectWithoutProperties__default["default"](sgroup, _excluded2$7);
2505
- var attrs = _objectSpread$1h({}, props);
2518
+ var attrs = _objectSpread$1i({}, props);
2506
2519
  var absolute = 'absolute';
2507
2520
  var attached = 'attached';
2508
2521
  switch (radiobuttons) {
@@ -3057,8 +3070,8 @@ var tools = typeSchema$1["enum"].reduce(function (res, type, i) {
3057
3070
 
3058
3071
  var _excluded$y = ["rescale", "fragment"],
3059
3072
  _excluded2$6 = ["isPaste", "method"];
3060
- function ownKeys$1g(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
3061
- function _objectSpread$1g(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1g(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1g(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
3073
+ function ownKeys$1h(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
3074
+ function _objectSpread$1h(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1h(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1h(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
3062
3075
  function onAction(action) {
3063
3076
  if (action && action.dialog) {
3064
3077
  return {
@@ -3113,7 +3126,7 @@ function load(struct, options) {
3113
3126
  errorHandler = editor.errorHandler;
3114
3127
  options = options || {};
3115
3128
  _options2 = options, isPaste = _options2.isPaste, method = _options2.method, otherOptions = _objectWithoutProperties__default["default"](_options2, _excluded2$6);
3116
- otherOptions = _objectSpread$1g(_objectSpread$1g({}, otherOptions), {}, {
3129
+ otherOptions = _objectSpread$1h(_objectSpread$1h({}, otherOptions), {}, {
3117
3130
  'dearomatize-on-load': editor.options()['dearomatize-on-load'],
3118
3131
  ignoreChiralFlag: editor.options().ignoreChiralFlag
3119
3132
  });
@@ -3616,7 +3629,7 @@ var zoom = {
3616
3629
 
3617
3630
  var openHelpLink = function openHelpLink() {
3618
3631
  var _window$open;
3619
- return (_window$open = window.open("https://github.com/epam/ketcher/blob/".concat("v2.18.0-rc.2\n", "/documentation/help.md#ketcher-overview"))) === null || _window$open === void 0 ? void 0 : _window$open.focus();
3632
+ return (_window$open = window.open("https://github.com/epam/ketcher/blob/".concat("v2.18.0-rc.3\n", "/documentation/help.md#ketcher-overview"))) === null || _window$open === void 0 ? void 0 : _window$open.focus();
3620
3633
  };
3621
3634
  var help = {
3622
3635
  help: {
@@ -3688,11 +3701,11 @@ var fullscreen = {
3688
3701
  }
3689
3702
  };
3690
3703
 
3691
- function ownKeys$1f(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
3692
- function _objectSpread$1f(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1f(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1f(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
3693
- var config = _objectSpread$1f(_objectSpread$1f(_objectSpread$1f(_objectSpread$1f(_objectSpread$1f(_objectSpread$1f(_objectSpread$1f(_objectSpread$1f(_objectSpread$1f({
3704
+ function ownKeys$1g(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
3705
+ function _objectSpread$1g(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1g(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1g(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
3706
+ var config = _objectSpread$1g(_objectSpread$1g(_objectSpread$1g(_objectSpread$1g(_objectSpread$1g(_objectSpread$1g(_objectSpread$1g(_objectSpread$1g(_objectSpread$1g({
3694
3707
  clear: {
3695
- shortcut: 'Mod+Delete',
3708
+ shortcut: ['Mod+Delete', 'Mod+Backspace'],
3696
3709
  title: 'Clear Canvas',
3697
3710
  action: {
3698
3711
  thunk: function thunk(dispatch, getState) {
@@ -4000,21 +4013,6 @@ function hasSelection(editor) {
4000
4013
 
4001
4014
  var classes$Q = {"button-common-styles":"ActionButton-module_button-common-styles__y-hng","scrollbar":"ActionButton-module_scrollbar__lD3MH","button":"ActionButton-module_button__nfoWQ","selected":"ActionButton-module_selected__kPCxA"};
4002
4015
 
4003
- var shortcutAliasMap = {
4004
- Escape: 'Esc',
4005
- Delete: 'Del',
4006
- Mod: reactDeviceDetect.isMacOs ? '⌘' : 'Ctrl'
4007
- };
4008
- function shortcutStr(shortcut) {
4009
- if (!shortcut) {
4010
- return '';
4011
- }
4012
- var shortcutKey = Array.isArray(shortcut) ? shortcut[0] : shortcut;
4013
- return shortcutKey.replace(/(\b[a-z]\b$|Mod|Escape|Delete)/g, function (key) {
4014
- return shortcutAliasMap[key] || key.toUpperCase();
4015
- });
4016
- }
4017
-
4018
4016
  var _path$37, _rect$4, _rect2$3;
4019
4017
  function _extends$3d() { _extends$3d = Object.assign ? Object.assign.bind() : function (target) { for (var i = 1; i < arguments.length; i++) { var source = arguments[i]; for (var key in source) { if (Object.prototype.hasOwnProperty.call(source, key)) { target[key] = source[key]; } } } return target; }; return _extends$3d.apply(this, arguments); }
4020
4018
  function SvgAbout(props) {
@@ -7852,12 +7850,12 @@ var StyledButton = styled__default["default"].button({
7852
7850
  });
7853
7851
 
7854
7852
  var _excluded$x = ["children"];
7855
- function ownKeys$1e(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
7856
- function _objectSpread$1e(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1e(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1e(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
7853
+ function ownKeys$1f(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
7854
+ function _objectSpread$1f(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1f(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1f(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
7857
7855
  var Button = function Button(_ref) {
7858
7856
  var children = _ref.children,
7859
7857
  props = _objectWithoutProperties__default["default"](_ref, _excluded$x);
7860
- return jsxRuntime.jsx(StyledButton, _objectSpread$1e(_objectSpread$1e({}, props), {}, {
7858
+ return jsxRuntime.jsx(StyledButton, _objectSpread$1f(_objectSpread$1f({}, props), {}, {
7861
7859
  children: children
7862
7860
  }));
7863
7861
  };
@@ -7915,10 +7913,10 @@ var StyledInput$1 = styled__default["default"].input({
7915
7913
  }
7916
7914
  });
7917
7915
 
7918
- function ownKeys$1d(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
7919
- function _objectSpread$1d(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1d(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1d(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
7916
+ function ownKeys$1e(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
7917
+ function _objectSpread$1e(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1e(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1e(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
7920
7918
  var Input$2 = function Input(props) {
7921
- return jsxRuntime.jsx(StyledInput$1, _objectSpread$1d({}, props));
7919
+ return jsxRuntime.jsx(StyledInput$1, _objectSpread$1e({}, props));
7922
7920
  };
7923
7921
 
7924
7922
  var Container = styled__default["default"].div({
@@ -7969,15 +7967,15 @@ var error$1 = {
7969
7967
  close: 'Close'
7970
7968
  };
7971
7969
 
7972
- var styles$g = {"infoModalOverlay":"InfoModal-module_infoModalOverlay__Ve2pm","infoModalWindow":"InfoModal-module_infoModalWindow__Qd-UI","infoModalBody":"InfoModal-module_infoModalBody__BYoCY","modalHidden":"InfoModal-module_modalHidden__6HnzH","ok":"InfoModal-module_ok__BETvY"};
7970
+ var styles$h = {"infoModalOverlay":"InfoModal-module_infoModalOverlay__Ve2pm","infoModalWindow":"InfoModal-module_infoModalWindow__Qd-UI","infoModalBody":"InfoModal-module_infoModalBody__BYoCY","modalHidden":"InfoModal-module_modalHidden__6HnzH","ok":"InfoModal-module_ok__BETvY"};
7973
7971
 
7974
7972
  var InfoModal$1 = function InfoModal(_ref) {
7975
7973
  var message = _ref.message,
7976
7974
  close = _ref.close;
7977
7975
  return jsxRuntime.jsx("div", {
7978
- className: styles$g.infoModalOverlay,
7976
+ className: styles$h.infoModalOverlay,
7979
7977
  children: jsxRuntime.jsxs("div", {
7980
- className: styles$g.infoModalWindow,
7978
+ className: styles$h.infoModalWindow,
7981
7979
  role: "dialog",
7982
7980
  "aria-modal": "true",
7983
7981
  "aria-labelledby": "dialog-label",
@@ -7987,13 +7985,13 @@ var InfoModal$1 = function InfoModal(_ref) {
7987
7985
  id: "dialog-label",
7988
7986
  children: error$1.message
7989
7987
  }), jsxRuntime.jsx("div", {
7990
- className: styles$g.infoModalBody,
7988
+ className: styles$h.infoModalBody,
7991
7989
  id: "dialog-content",
7992
7990
  "data-testid": "info-modal-body",
7993
7991
  children: message
7994
7992
  }), jsxRuntime.jsx("footer", {
7995
7993
  children: jsxRuntime.jsx("button", {
7996
- className: styles$g.ok,
7994
+ className: styles$h.ok,
7997
7995
  onClick: close,
7998
7996
  children: error$1.close
7999
7997
  })
@@ -8002,11 +8000,11 @@ var InfoModal$1 = function InfoModal(_ref) {
8002
8000
  });
8003
8001
  };
8004
8002
 
8005
- var styles$f = {"button-common-styles":"Dialog-module_button-common-styles__Xehyp","scrollbar":"Dialog-module_scrollbar__L8hUr","dialog":"Dialog-module_dialog__hiRBI","hide":"Dialog-module_hide__bbkvB","header":"Dialog-module_header__8QGek","btnContainer":"Dialog-module_btnContainer__ulrFM","buttonTop":"Dialog-module_buttonTop__91ha8","closeButton":"Dialog-module_closeButton__XyaAE","footer":"Dialog-module_footer__PliV0","ok":"Dialog-module_ok__BUQ6q","cancel":"Dialog-module_cancel__8d83c","withDivider":"Dialog-module_withDivider__YBKiQ","body":"Dialog-module_body__EWh4H","withMargin":"Dialog-module_withMargin__-zVS4"};
8003
+ var styles$g = {"button-common-styles":"Dialog-module_button-common-styles__Xehyp","scrollbar":"Dialog-module_scrollbar__L8hUr","dialog":"Dialog-module_dialog__hiRBI","hide":"Dialog-module_hide__bbkvB","header":"Dialog-module_header__8QGek","btnContainer":"Dialog-module_btnContainer__ulrFM","buttonTop":"Dialog-module_buttonTop__91ha8","closeButton":"Dialog-module_closeButton__XyaAE","footer":"Dialog-module_footer__PliV0","ok":"Dialog-module_ok__BUQ6q","cancel":"Dialog-module_cancel__8d83c","withDivider":"Dialog-module_withDivider__YBKiQ","body":"Dialog-module_body__EWh4H","withMargin":"Dialog-module_withMargin__-zVS4"};
8006
8004
 
8007
8005
  var _excluded$w = ["children", "title", "params", "result", "valid", "buttons", "headerContent", "footerContent", "className", "buttonsNameMap", "needMargin", "withDivider", "focusable"];
8008
- function ownKeys$1c(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
8009
- function _objectSpread$1c(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1c(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1c(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
8006
+ function ownKeys$1d(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
8007
+ function _objectSpread$1d(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1d(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1d(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
8010
8008
  var Dialog = function Dialog(props) {
8011
8009
  var children = props.children,
8012
8010
  title = props.title,
@@ -8061,7 +8059,7 @@ var Dialog = function Dialog(props) {
8061
8059
  event.stopPropagation();
8062
8060
  }
8063
8061
  };
8064
- return jsxRuntime.jsxs("div", _objectSpread$1c(_objectSpread$1c({
8062
+ return jsxRuntime.jsxs("div", _objectSpread$1d(_objectSpread$1d({
8065
8063
  ref: dialogRef,
8066
8064
  role: "dialog",
8067
8065
  onSubmit: function onSubmit(event) {
@@ -8069,35 +8067,35 @@ var Dialog = function Dialog(props) {
8069
8067
  },
8070
8068
  onKeyDown: keyDown,
8071
8069
  tabIndex: -1,
8072
- className: clsx__default["default"](styles$f.dialog, className, params.className)
8070
+ className: clsx__default["default"](styles$g.dialog, className, params.className)
8073
8071
  }, rest), {}, {
8074
8072
  children: [jsxRuntime.jsxs("header", {
8075
- className: clsx__default["default"](styles$f.header, withDivider && styles$f.withDivider),
8073
+ className: clsx__default["default"](styles$g.header, withDivider && styles$g.withDivider),
8076
8074
  children: [headerContent || jsxRuntime.jsx("span", {
8077
8075
  children: title
8078
8076
  }), jsxRuntime.jsx("div", {
8079
- className: styles$f.btnContainer,
8077
+ className: styles$g.btnContainer,
8080
8078
  children: jsxRuntime.jsx("button", {
8081
- className: styles$f.buttonTop,
8079
+ className: styles$g.buttonTop,
8082
8080
  onClick: function onClick() {
8083
8081
  return exit('Cancel');
8084
8082
  },
8085
8083
  "data-testid": 'close-icon',
8086
8084
  children: jsxRuntime.jsx(Icon, {
8087
8085
  name: 'close',
8088
- className: styles$f.closeButton
8086
+ className: styles$g.closeButton
8089
8087
  })
8090
8088
  })
8091
8089
  })]
8092
8090
  }), jsxRuntime.jsx("div", {
8093
- className: clsx__default["default"](styles$f.body, needMargin && styles$f.withMargin),
8091
+ className: clsx__default["default"](styles$g.body, needMargin && styles$g.withMargin),
8094
8092
  children: children
8095
8093
  }), (footerContent || buttons.length > 0) && jsxRuntime.jsxs("footer", {
8096
- className: styles$f.footer,
8094
+ className: styles$g.footer,
8097
8095
  children: [footerContent, buttons.length > 0 && buttons.map(function (button) {
8098
8096
  return typeof button !== 'string' ? button : jsxRuntime.jsx("input", {
8099
8097
  type: "button",
8100
- className: clsx__default["default"](isButtonOk(button) ? styles$f.ok : styles$f.cancel, button === 'Save' && styles$f.save),
8098
+ className: clsx__default["default"](isButtonOk(button) ? styles$g.ok : styles$g.cancel, button === 'Save' && styles$g.save),
8101
8099
  value: buttonsNameMap && buttonsNameMap[button] ? buttonsNameMap[button] : button,
8102
8100
  disabled: isButtonOk(button) && !valid(),
8103
8101
  onClick: function onClick() {
@@ -8125,7 +8123,7 @@ var ActionButton = function ActionButton(props) {
8125
8123
  if (status.hidden) {
8126
8124
  return null;
8127
8125
  }
8128
- var shortcut = shortcutStr(action === null || action === void 0 ? void 0 : action.shortcut);
8126
+ var shortcut = ketcherCore.shortcutStr(action === null || action === void 0 ? void 0 : action.shortcut);
8129
8127
  var disabled = status.disabled || indigoVerification && disableableButtons.includes(name);
8130
8128
  var handleClick = function handleClick() {
8131
8129
  if (action !== null && action !== void 0 && action.action) {
@@ -8387,8 +8385,8 @@ function usePortalStyle(_ref) {
8387
8385
  return [portalStyle];
8388
8386
  }
8389
8387
 
8390
- function ownKeys$1b(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
8391
- function _objectSpread$1b(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1b(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1b(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
8388
+ function ownKeys$1c(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
8389
+ function _objectSpread$1c(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1c(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1c(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
8392
8390
  var ToolbarMultiToolItem = function ToolbarMultiToolItem(props) {
8393
8391
  var id = props.id,
8394
8392
  options = props.options,
@@ -8462,7 +8460,7 @@ var ToolbarMultiToolItem = function ToolbarMultiToolItem(props) {
8462
8460
  ref: ref,
8463
8461
  className: classes$O.root,
8464
8462
  "data-testid": "".concat(dataTestId || iconName, "-in-toolbar"),
8465
- children: [jsxRuntime.jsx(ActionButton, _objectSpread$1b(_objectSpread$1b({}, actionButtonProps), {}, {
8463
+ children: [jsxRuntime.jsx(ActionButton, _objectSpread$1c(_objectSpread$1c({}, actionButtonProps), {}, {
8466
8464
  className: className,
8467
8465
  name: iconName,
8468
8466
  action: config[currentId],
@@ -8568,8 +8566,8 @@ var TemplatesList = function TemplatesList(props) {
8568
8566
  var classes$N = {"button-common-styles":"BottomToolbar-module_button-common-styles__PbtE9","scrollbar":"BottomToolbar-module_scrollbar__i1f8P","group":"BottomToolbar-module_group__b-pGt","root":"BottomToolbar-module_root__kjkSm"};
8569
8567
 
8570
8568
  var _excluded$v = ["className"];
8571
- function ownKeys$1a(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
8572
- function _objectSpread$1a(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1a(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1a(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
8569
+ function ownKeys$1b(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
8570
+ function _objectSpread$1b(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1b(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1b(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
8573
8571
  var Group$1 = function Group(_ref) {
8574
8572
  var children = _ref.children,
8575
8573
  className = _ref.className;
@@ -8594,22 +8592,22 @@ var BottomToolbar = function BottomToolbar(props) {
8594
8592
  indigoVerification: indigoVerification,
8595
8593
  disableableButtons: disableableButtons,
8596
8594
  onAction: onAction
8597
- }), jsxRuntime.jsx(ToolbarGroupItem, _objectSpread$1a({
8595
+ }), jsxRuntime.jsx(ToolbarGroupItem, _objectSpread$1b({
8598
8596
  id: "template-lib"
8599
8597
  }, rest))]
8600
8598
  })
8601
8599
  });
8602
8600
  };
8603
8601
 
8604
- function ownKeys$19(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
8605
- function _objectSpread$19(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$19(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$19(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
8602
+ function ownKeys$1a(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
8603
+ function _objectSpread$1a(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1a(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1a(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
8606
8604
  function openDialog(dispatch, dialogName, props) {
8607
8605
  return new Promise(function (resolve, reject) {
8608
8606
  dispatch({
8609
8607
  type: 'MODAL_OPEN',
8610
8608
  data: {
8611
8609
  name: dialogName,
8612
- prop: _objectSpread$19(_objectSpread$19({}, props), {}, {
8610
+ prop: _objectSpread$1a(_objectSpread$1a({}, props), {}, {
8613
8611
  onResult: resolve,
8614
8612
  onCancel: reject
8615
8613
  })
@@ -8628,14 +8626,14 @@ function modalReducer() {
8628
8626
  return null;
8629
8627
  }
8630
8628
  var formState = formReducer(state.form, action);
8631
- return _objectSpread$19(_objectSpread$19({}, state), {}, {
8629
+ return _objectSpread$1a(_objectSpread$1a({}, state), {}, {
8632
8630
  form: formState
8633
8631
  });
8634
8632
  }
8635
8633
  switch (type) {
8636
8634
  case 'MODAL_CLOSE':
8637
8635
  if (state !== null && state !== void 0 && state.parentModal) {
8638
- state.parentModal.prop = _objectSpread$19(_objectSpread$19(_objectSpread$19({}, state.parentModal.prop), state.parentModal.form.result), {}, {
8636
+ state.parentModal.prop = _objectSpread$1a(_objectSpread$1a(_objectSpread$1a({}, state.parentModal.prop), state.parentModal.form.result), {}, {
8639
8637
  isRestoredModal: true
8640
8638
  });
8641
8639
  return state.parentModal;
@@ -8653,8 +8651,8 @@ function modalReducer() {
8653
8651
  }
8654
8652
  }
8655
8653
 
8656
- function ownKeys$18(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
8657
- function _objectSpread$18(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$18(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$18(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
8654
+ function ownKeys$19(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
8655
+ function _objectSpread$19(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$19(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$19(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
8658
8656
  function selectTmpl(tmpl) {
8659
8657
  return {
8660
8658
  type: 'TMPL_SELECT',
@@ -8762,7 +8760,7 @@ function saveUserTmpl(struct) {
8762
8760
  var name = _ref.name,
8763
8761
  attach = _ref.attach;
8764
8762
  tmpl.struct.name = name.trim();
8765
- tmpl.props = _objectSpread$18(_objectSpread$18({}, attach), {}, {
8763
+ tmpl.props = _objectSpread$19(_objectSpread$19({}, attach), {}, {
8766
8764
  group: 'User Templates'
8767
8765
  });
8768
8766
  var lib = getState().templates.lib.concat(tmpl);
@@ -8802,7 +8800,7 @@ function templatesReducer() {
8802
8800
  if (tmplActions.includes(action.type)) return Object.assign({}, state, action.data);
8803
8801
  if (attachActions.includes(action.type)) {
8804
8802
  var attach = Object.assign({}, state.attach, action.data);
8805
- return _objectSpread$18(_objectSpread$18({}, state), {}, {
8803
+ return _objectSpread$19(_objectSpread$19({}, state), {}, {
8806
8804
  attach: attach
8807
8805
  });
8808
8806
  }
@@ -8811,7 +8809,7 @@ function templatesReducer() {
8811
8809
  var lib = currentState.lib.filter(function (value) {
8812
8810
  return value !== action.data.tmpl;
8813
8811
  });
8814
- return _objectSpread$18(_objectSpread$18({}, currentState), {}, {
8812
+ return _objectSpread$19(_objectSpread$19({}, currentState), {}, {
8815
8813
  lib: lib
8816
8814
  });
8817
8815
  }
@@ -8873,8 +8871,8 @@ function abbreviationLookupReducer() {
8873
8871
  }
8874
8872
  }
8875
8873
 
8876
- function ownKeys$17(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
8877
- function _objectSpread$17(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$17(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$17(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
8874
+ function ownKeys$18(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
8875
+ function _objectSpread$18(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$18(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$18(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
8878
8876
  var initialState$3 = {
8879
8877
  cursorPosition: {
8880
8878
  x: 0,
@@ -8899,7 +8897,7 @@ function commonReducer() {
8899
8897
  switch (action.type) {
8900
8898
  case COMMON_ACTIONS.COMMON_UPDATE_CURSOR_POSITION:
8901
8899
  {
8902
- return _objectSpread$17(_objectSpread$17({}, state), {}, {
8900
+ return _objectSpread$18(_objectSpread$18({}, state), {}, {
8903
8901
  cursorPosition: {
8904
8902
  x: action.data.x,
8905
8903
  y: action.data.y
@@ -8912,8 +8910,8 @@ function commonReducer() {
8912
8910
  }
8913
8911
 
8914
8912
  var _excluded$u = ["type", "action"];
8915
- function ownKeys$16(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
8916
- function _objectSpread$16(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$16(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$16(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
8913
+ function ownKeys$17(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
8914
+ function _objectSpread$17(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$17(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$17(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
8917
8915
  function execute(activeTool, _ref) {
8918
8916
  var action = _ref.action,
8919
8917
  editor = _ref.editor,
@@ -8971,7 +8969,7 @@ function actionStateReducer () {
8971
8969
  }
8972
8970
  case 'ACTION':
8973
8971
  {
8974
- activeTool = execute(state && state.activeTool, _objectSpread$16(_objectSpread$16({}, params), {}, {
8972
+ activeTool = execute(state && state.activeTool, _objectSpread$17(_objectSpread$17({}, params), {}, {
8975
8973
  action: action
8976
8974
  }));
8977
8975
  if (activeTool.tool === 'select') {
@@ -9015,17 +9013,54 @@ function fileOpener(server) {
9015
9013
  }
9016
9014
  });
9017
9015
  }
9016
+ function arrayBufferToBase64(buffer) {
9017
+ var binary = '';
9018
+ var bytes = new Uint8Array(buffer);
9019
+ var len = bytes.byteLength;
9020
+ for (var i = 0; i < len; i++) {
9021
+ binary += String.fromCharCode(bytes[i]);
9022
+ }
9023
+ return btoa(binary);
9024
+ }
9018
9025
  function throughFileReader(file) {
9019
- var isCDX = file.name.endsWith('cdx') && !file.name.endsWith('b64cdx');
9026
+ var CDX = 'cdx';
9027
+ var PPTX = 'pptx';
9028
+ var fileType;
9029
+ if (file.name.endsWith('cdx') && !file.name.endsWith('b64cdx')) {
9030
+ fileType = CDX;
9031
+ } else if (file.name.endsWith('pptx')) {
9032
+ fileType = PPTX;
9033
+ }
9020
9034
  return new Promise(function (resolve, reject) {
9021
9035
  var rd = new FileReader();
9022
- rd.onload = function () {
9023
- var content;
9024
- if (isCDX) {
9025
- var base64String = rd.result.split(',').at(-1);
9026
- content = base64String;
9027
- } else {
9028
- content = rd.result;
9036
+ rd.onload = function (e) {
9037
+ var content, structures;
9038
+ var cfb;
9039
+ switch (fileType) {
9040
+ case CDX:
9041
+ content = rd.result.split(',').at(-1);
9042
+ break;
9043
+ case PPTX:
9044
+ cfb = CFB__namespace.read(e.target.result, {
9045
+ type: 'binary'
9046
+ });
9047
+ structures = [];
9048
+ cfb.FullPaths.forEach(function (path) {
9049
+ if (path.endsWith('.bin')) {
9050
+ var ole = CFB__namespace.find(cfb, path);
9051
+ var sdf = CFB__namespace.find(CFB__namespace.parse(ole.content), 'CONTENTS');
9052
+ var base64String = arrayBufferToBase64(sdf.content);
9053
+ structures.push(base64String);
9054
+ }
9055
+ });
9056
+ content = {
9057
+ structures: structures,
9058
+ isPPTX: true
9059
+ };
9060
+ break;
9061
+ default:
9062
+ content = rd.result;
9063
+ break;
9029
9064
  }
9030
9065
  if (file.msClose) file.msClose();
9031
9066
  resolve(content);
@@ -9033,7 +9068,17 @@ function throughFileReader(file) {
9033
9068
  rd.onerror = function (event) {
9034
9069
  reject(event);
9035
9070
  };
9036
- isCDX ? rd.readAsDataURL(file) : rd.readAsText(file, 'UTF-8');
9071
+ switch (fileType) {
9072
+ case CDX:
9073
+ rd.readAsDataURL(file);
9074
+ break;
9075
+ case PPTX:
9076
+ rd.readAsBinaryString(file);
9077
+ break;
9078
+ default:
9079
+ rd.readAsText(file, 'UTF-8');
9080
+ break;
9081
+ }
9037
9082
  });
9038
9083
  }
9039
9084
  function throughFileSystemObject(fso, file) {
@@ -11468,8 +11513,8 @@ var errors = {
11468
11513
  codes: codes_1
11469
11514
  };
11470
11515
 
11471
- function ownKeys$15(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
11472
- function _objectSpread$15(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$15(Object(t), !0).forEach(function (r) { _defineProperty(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$15(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
11516
+ function ownKeys$16(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
11517
+ function _objectSpread$16(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$16(Object(t), !0).forEach(function (r) { _defineProperty(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$16(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
11473
11518
  function _defineProperty(obj, key, value) { key = _toPropertyKey(key); if (key in obj) { Object.defineProperty(obj, key, { value: value, enumerable: true, configurable: true, writable: true }); } else { obj[key] = value; } return obj; }
11474
11519
  function _classCallCheck(instance, Constructor) { if (!(instance instanceof Constructor)) { throw new TypeError("Cannot call a class as a function"); } }
11475
11520
  function _defineProperties(target, props) { for (var i = 0; i < props.length; i++) { var descriptor = props[i]; descriptor.enumerable = descriptor.enumerable || false; descriptor.configurable = true; if ("value" in descriptor) descriptor.writable = true; Object.defineProperty(target, _toPropertyKey(descriptor.key), descriptor); } }
@@ -11897,7 +11942,7 @@ var AssertionError = /*#__PURE__*/function (_Error, _inspect$custom) {
11897
11942
  // the minimum depth. Otherwise those values would be too verbose compared
11898
11943
  // to the actual error message which contains a combined view of these two
11899
11944
  // input values.
11900
- return inspect(this, _objectSpread$15(_objectSpread$15({}, ctx), {}, {
11945
+ return inspect(this, _objectSpread$16(_objectSpread$16({}, ctx), {}, {
11901
11946
  customInspect: false,
11902
11947
  depth: 0
11903
11948
  }));
@@ -13517,8 +13562,8 @@ function setFunctionalGroupsTooltip(_ref) {
13517
13562
  showTooltip(editor, infoPanelData);
13518
13563
  }
13519
13564
 
13520
- function ownKeys$14(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
13521
- function _objectSpread$14(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$14(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$14(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
13565
+ function ownKeys$15(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
13566
+ function _objectSpread$15(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$15(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$15(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
13522
13567
  var initialState$2 = {
13523
13568
  lib: [],
13524
13569
  functionalGroupInfo: null,
@@ -13531,9 +13576,9 @@ var functionalGroupsReducer = function functionalGroupsReducer() {
13531
13576
  payload = _ref.payload;
13532
13577
  switch (type) {
13533
13578
  case 'FG_INIT':
13534
- return _objectSpread$14(_objectSpread$14({}, state), payload);
13579
+ return _objectSpread$15(_objectSpread$15({}, state), payload);
13535
13580
  case 'FG_HIGHLIGHT':
13536
- return _objectSpread$14(_objectSpread$14({}, state), {}, {
13581
+ return _objectSpread$15(_objectSpread$15({}, state), {}, {
13537
13582
  functionalGroupInfo: payload
13538
13583
  });
13539
13584
  default:
@@ -13591,8 +13636,8 @@ function initFGTemplates() {
13591
13636
 
13592
13637
  var templatesRawData = "acetic acid\n -INDIGO-11302219142D\n\n 4 3 0 0 0 0 0 0 0 0999 V2000\n 0.5143 0.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7848 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8133 -0.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5143 2.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 2 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 4 1 2 3 4\nM SMT 1 acetic acid\nM END\n> <name>\nacetic acid\n\n> <abbreviation>\nacetic acid\n\n> <group>\nSalts and Solvents\n\n$$$$\nacetic anhydride\n -INDIGO-11302219142D\n\n 7 6 0 0 0 0 0 0 0 0999 V2000\n 0.5143 0.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7848 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8133 -0.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5143 2.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1123 0.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1124 2.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4114 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 acetic anhydride\nM END\n> <name>\nacetic anhydride\n\n> <abbreviation>\nacetic anhydride\n\n> <group>\nSalts and Solvents\n\n$$$$\nformic acid\n -INDIGO-11302219142D\n\n 4 3 0 0 0 0 0 0 0 0999 V2000\n 0.5143 0.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7848 -0.2357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8133 -0.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5143 2.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 2 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 4 1 2 3 4\nM SMT 1 formic acid\nM END\n> <name>\nformic acid\n\n> <abbreviation>\nformic acid\n\n> <group>\nSalts and Solvents\n\n$$$$\nmethane sulphonic acid\n -INDIGO-11302219142D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n 0.5143 0.5143 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5143 2.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5143 -0.9857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0143 0.5143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9857 0.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 1 3 2 0 0 0 0\n 1 4 1 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 5 1 2 3 4 5\nM SMT 1 methane sulphonic acid\nM END\n> <name>\nmethane sulphonic acid\n\n> <abbreviation>\nmethane sulphonic acid\n\n> <group>\nSalts and Solvents\n\n$$$$\npropionic acid\n -INDIGO-11302219142D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n 0.5143 0.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7848 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8133 -0.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5143 2.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0838 0.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 2 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 5 1 2 3 4 5\nM SMT 1 propionic acid\nM END\n> <name>\npropionic acid\n\n> <abbreviation>\npropionic acid\n\n> <group>\nSalts and Solvents\n\n$$$$\n1,2-propanediol\n -INDIGO-11302219142D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n -3.3587 -3.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0597 -2.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0596 -1.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7606 -3.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5384 -2.7557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 5 1 2 3 4 5\nM SMT 1 1,2-propanediol\nM END\n> <name>\n1,2-propanediol\n\n> <abbreviation>\n1,2-propanediol\n\n> <group>\nSalts and Solvents\n\n$$$$\n1,3-propanediol\n -INDIGO-11302219142D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n 15.0779 -8.5508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.3769 -9.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.6759 -8.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.9750 -9.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.2740 -8.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 5 1 2 3 4 5\nM SMT 1 1,3-propanediol\nM END\n> <name>\n1,3-propanediol\n\n> <abbreviation>\n1,3-propanediol\n\n> <group>\nSalts and Solvents\n\n$$$$\n1,4-butanediol\n -INDIGO-11302219142D\n\n 6 5 0 0 0 0 0 0 0 0999 V2000\n -0.3480 1.2991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9509 2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2500 1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5491 2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8481 1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1472 2.0491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 1,4-butanediol\nM END\n> <name>\n1,4-butanediol\n\n> <abbreviation>\n1,4-butanediol\n\n> <group>\nSalts and Solvents\n\n$$$$\n1-butanol\n -INDIGO-11302219142D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n 0.1714 0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4705 1.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.1276 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4266 0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7257 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 5 1 2 3 4 5\nM SMT 1 1-butanol\nM END\n> <name>\n1-butanol\n\n> <abbreviation>\n1-butanol\n\n> <group>\nSalts and Solvents\n\n$$$$\n1-propanol\n -INDIGO-11302219142D\n\n 4 3 0 0 0 0 0 0 0 0999 V2000\n 0.1714 1.2286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.1276 0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4266 1.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7257 0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 4 1 2 3 4\nM SMT 1 1-propanol\nM END\n> <name>\n1-propanol\n\n> <abbreviation>\n1-propanol\n\n> <group>\nSalts and Solvents\n\n$$$$\n2-butanol\n -INDIGO-11302219142D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n 0.1714 1.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4705 0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.1276 0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4266 1.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1714 2.7286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 5 1 2 3 4 5\nM SMT 1 2-butanol\nM END\n> <name>\n2-butanol\n\n> <abbreviation>\n2-butanol\n\n> <group>\nSalts and Solvents\n\n$$$$\n2-ethylhexanol\n -INDIGO-11302219142D\n\n 9 8 0 0 0 0 0 0 0 0999 V2000\n 10.7337 0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1355 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8365 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5375 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1355 1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4345 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2384 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4345 2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9394 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 7 9 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SAL 1 1 9\nM SMT 1 2-ethylhexanol\nM END\n> <name>\n2-ethylhexanol\n\n> <abbreviation>\n2-ethylhexanol\n\n> <group>\nSalts and Solvents\n\n$$$$\nisopropanol\n -INDIGO-11302219142D\n\n 4 3 0 0 0 0 0 0 0 0999 V2000\n 0.1714 1.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4705 0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.1276 0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1714 2.7286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 4 1 2 3 4\nM SMT 1 2-propanol\nM END\n> <name>\nisopropanol\n\n> <abbreviation>\n2-propanol\n\n> <group>\nSalts and Solvents\n\n$$$$\n2-methoxyethanol\n -INDIGO-11302219142D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n 0.1714 0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4705 1.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.1276 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4266 0.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7257 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 5 1 2 3 4 5\nM SMT 1 2-methoxyethanol\nM END\n> <name>\n2-methoxyethanol\n\n> <abbreviation>\n2-methoxyethanol\n\n> <group>\nSalts and Solvents\n\n$$$$\n2-pentanol\n -INDIGO-11302219142D\n\n 6 5 0 0 0 0 0 0 0 0999 V2000\n -5.1971 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8980 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5991 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0009 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3000 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 2-pentanol\nM END\n> <name>\n2-pentanol\n\n> <abbreviation>\n2-pentanol\n\n> <group>\nSalts and Solvents\n\n$$$$\nbenzyl alcohol\n -INDIGO-11302219142D\n\n 8 8 0 0 0 0 0 0 0 0999 V2000\n 6.1000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8010 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3990 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8010 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3990 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3990 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 2 0 0 0 0\n 2 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 3 1 0 0 0 0\n 1 7 1 0 0 0 0\n 7 8 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 benzyl alcohol\nM END\n> <name>\nbenzyl alcohol\n\n> <abbreviation>\nbenzyl alcohol\n\n> <group>\nSalts and Solvents\n\n$$$$\ncyclohexanol\n -INDIGO-11302219142D\n\n 7 7 0 0 0 0 0 0 0 0999 V2000\n 4.2990 2.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2990 0.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -0.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5981 -0.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -1.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5981 -1.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2990 -2.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 cyclohexanol\nM END\n> <name>\ncyclohexanol\n\n> <abbreviation>\ncyclohexanol\n\n> <group>\nSalts and Solvents\n\n$$$$\nethanol\n -INDIGO-11302219142D\n\n 3 2 0 0 0 0 0 0 0 0999 V2000\n 0.1714 1.2286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.1276 0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4266 1.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 3 1 2 3\nM SMT 1 ethyl alcohol\nM END\n> <name>\nethanol\n\n> <abbreviation>\nethyl alcohol\n\n> <group>\nSalts and Solvents\n\n$$$$\nethylene glycol\n -INDIGO-11302219142D\n\n 4 3 0 0 0 0 0 0 0 0999 V2000\n 0.1714 1.2286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.1276 0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4266 1.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7256 0.4786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 4 1 2 3 4\nM SMT 1 ethane-1,2-diol\nM END\n> <name>\nethylene glycol\n\n> <abbreviation>\nethane-1,2-diol\n\n> <group>\nSalts and Solvents\n\n$$$$\nglycerol\n -INDIGO-11302219142D\n\n 6 5 0 0 0 0 0 0 0 0999 V2000\n 0.9915 2.6580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2906 1.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5896 2.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5897 4.1580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8887 1.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1878 2.6580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 glycerol\nM END\n> <name>\nglycerol\n\n> <abbreviation>\nglycerol\n\n> <group>\nSalts and Solvents\n\n$$$$\nisoamyl alcohol\n -INDIGO-11302219142D\n\n 6 5 0 0 0 0 0 0 0 0999 V2000\n 0.1714 0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4705 1.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.1276 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4266 0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7257 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4266 -1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 isoamyl alcohol\nM END\n> <name>\nisoamyl alcohol\n\n> <abbreviation>\nisoamyl alcohol\n\n> <group>\nSalts and Solvents\n\n$$$$\nisobutanol\n -INDIGO-11302219142D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n 0.1714 1.2286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.1276 0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4266 1.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7257 0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4266 2.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 5 1 2 3 4 5\nM SMT 1 isobutanol\nM END\n> <name>\nisobutanol\n\n> <abbreviation>\nisobutanol\n\n> <group>\nSalts and Solvents\n\n$$$$\nmethanol\n -INDIGO-11302219142D\n\n 2 1 0 0 0 0 0 0 0 0999 V2000\n 0.0709 0.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5710 0.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 2 1 2\nM SMT 1 methyl alcohol\nM END\n> <name>\nmethanol\n\n> <abbreviation>\nmethyl alcohol\n\n> <group>\nSalts and Solvents\n\n$$$$\nt-butanol\n -INDIGO-11302219142D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n 0.0709 0.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5710 0.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4291 0.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0709 2.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0709 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 5 1 2 3 4 5\nM SMT 1 t-butanol\nM END\n> <name>\nt-butanol\n\n> <abbreviation>\nt-butanol\n\n> <group>\nSalts and Solvents\n\n$$$$\nwater\n -INDIGO-11302219142D\n\n 1 0 0 0 0 0 0 0 0 0999 V2000\n 0.7500 2.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 1 1\nM SMT 1 water\nM END\n> <name>\nwater\n\n> <abbreviation>\nwater\n\n> <group>\nSalts and Solvents\n\n$$$$\ncarbon dioxide\n -INDIGO-11302219142D\n\n 3 2 0 0 0 0 0 0 0 0999 V2000\n -1.2000 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7000 0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3000 0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 1 3 2 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 3 1 2 3\nM SMT 1 carbon dioxide\nM END\n> <name>\ncarbon dioxide\n\n> <abbreviation>\ncarbon dioxide\n\n> <group>\nSalts and Solvents\n\n$$$$\nbenzene\n -INDIGO-11302219142D\n\n 6 6 0 0 0 0 0 0 0 0999 V2000\n 6.1000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8010 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3990 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8010 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3990 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 2 0 0 0 0\n 2 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 3 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 benzene\nM END\n> <name>\nbenzene\n\n> <abbreviation>\nbenzene\n\n> <group>\nSalts and Solvents\n\n$$$$\ncumene\n -INDIGO-11302219142D\n\n 9 9 0 0 0 0 0 0 0 0999 V2000\n 4.2989 1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2989 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5981 2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5981 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5981 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2989 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 2 5 2 0 0 0 0\n 2 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 6 8 2 0 0 0 0\n 7 9 2 0 0 0 0\n 8 9 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SAL 1 1 9\nM SMT 1 cumene\nM END\n> <name>\ncumene\n\n> <abbreviation>\ncumene\n\n> <group>\nSalts and Solvents\n\n$$$$\nmesitylene\n -INDIGO-11302219142D\n\n 9 9 0 0 0 0 0 0 0 0999 V2000\n 1.2991 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2991 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5980 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5980 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8971 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2991 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2991 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 2 0 0 0 0\n 2 9 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SAL 1 1 9\nM SMT 1 mesitylene\nM END\n> <name>\nmesitylene\n\n> <abbreviation>\nmesitylene\n\n> <group>\nSalts and Solvents\n\n$$$$\ntoluene\n -INDIGO-11302219142D\n\n 7 7 0 0 0 0 0 0 0 0999 V2000\n 6.1000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8010 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3990 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8010 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3990 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 2 0 0 0 0\n 2 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 3 1 0 0 0 0\n 1 7 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 toluene\nM END\n> <name>\ntoluene\n\n> <abbreviation>\ntoluene\n\n> <group>\nSalts and Solvents\n\n$$$$\nn,n-dimethylaniline\n -INDIGO-11302219142D\n\n 9 9 0 0 0 0 0 0 0 0999 V2000\n 4.2989 1.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2989 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5981 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5981 2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5981 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2989 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 5 1 0 0 0 0\n 1 6 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 3 7 1 0 0 0 0\n 4 8 2 0 0 0 0\n 7 9 2 0 0 0 0\n 8 9 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SAL 1 1 9\nM SMT 1 N,N-dimethylaniline\nM END\n> <name>\nn,n-dimethylaniline\n\n> <abbreviation>\nN,N-dimethylaniline\n\n> <group>\nSalts and Solvents\n\n$$$$\npyridine\n -INDIGO-11302219142D\n\n 6 6 0 0 0 0 0 0 0 0999 V2000\n 6.1000 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8010 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3990 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8010 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3990 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 2 0 0 0 0\n 2 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 3 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 pyridine\nM END\n> <name>\npyridine\n\n> <abbreviation>\npyridine\n\n> <group>\nSalts and Solvents\n\n$$$$\ntriethylamine\n -INDIGO-11302219142D\n\n 7 6 0 0 0 0 0 0 0 0999 V2000\n 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2010 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7990 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7990 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0980 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0980 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 3 7 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 triethylamine\nM END\n> <name>\ntriethylamine\n\n> <abbreviation>\ntriethylamine\n\n> <group>\nSalts and Solvents\n\n$$$$\nacetonitrile\n -INDIGO-11302219142D\n\n 3 2 0 0 0 0 0 0 0 0999 V2000\n 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 3 0 0 0 0\n 1 3 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 3 1 2 3\nM SMT 1 acetonitrile\nM END\n> <name>\nacetonitrile\n\n> <abbreviation>\nacetonitrile\n\n> <group>\nSalts and Solvents\n\n$$$$\ndimethyl acetamide\n -INDIGO-11302219142D\n\n 6 5 0 0 0 0 0 0 0 0999 V2000\n 2.7990 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7990 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0980 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5000 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2009 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 dimethyl acetamide\nM END\n> <name>\ndimethyl acetamide\n\n> <abbreviation>\ndimethyl acetamide\n\n> <group>\nSalts and Solvents\n\n$$$$\ndimethyl formamide\n -INDIGO-11302219142D\n\n 6 5 0 0 0 0 0 0 0 0999 V2000\n 2.7990 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7990 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0980 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5000 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2009 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 DMF\nM END\n> <name>\ndimethyl formamide\n\n> <abbreviation>\nDMF\n\n> <group>\nSalts and Solvents\n\n$$$$\ndimethyl sulfoxide\n -INDIGO-11302219142D\n\n 4 3 0 0 0 0 0 0 0 0999 V2000\n 1.5000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2010 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7990 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 2 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 4 1 2 3 4\nM SMT 1 DMSO\nM END\n> <name>\ndimethyl sulfoxide\n\n> <abbreviation>\nDMSO\n\n> <group>\nSalts and Solvents\n\n$$$$\ndimethylpropylene urea\n -INDIGO-11302219142D\n\n 9 9 0 0 0 0 0 0 0 0999 V2000\n 3.4378 2.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1388 1.3044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1387 -0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8397 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4593 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4593 1.3044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.7584 2.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8397 2.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8397 3.5545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 2 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SAL 1 1 9\nM SMT 1 dimethylpropylene urea\nM END\n> <name>\ndimethylpropylene urea\n\n> <abbreviation>\ndimethylpropylene urea\n\n> <group>\nSalts and Solvents\n\n$$$$\nformamide\n -INDIGO-11302219142D\n\n 4 3 0 0 0 0 0 0 0 0999 V2000\n 0.2485 -6.0342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5476 -5.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5476 -3.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8467 -6.0341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 4 1 2 3 4\nM SMT 1 formamide\nM END\n> <name>\nformamide\n\n> <abbreviation>\nformamide\n\n> <group>\nSalts and Solvents\n\n$$$$\nn-methyl-2-pyrrolidone\n -INDIGO-11302219142D\n\n 7 7 0 0 0 0 0 0 0 0999 V2000\n 0.7500 2.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4600 1.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9600 1.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7500 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3860 1.8953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3 2 1 0 0 0 0\n 2 1 1 0 0 0 0\n 1 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 3 1 0 0 0 0\n 1 6 1 0 0 0 0\n 4 7 2 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 N-methyl-2-pyrrolidone\nM END\n> <name>\nn-methyl-2-pyrrolidone\n\n> <abbreviation>\nN-methyl-2-pyrrolidone\n\n> <group>\nSalts and Solvents\n\n$$$$\nn-methylformamide\n -INDIGO-11302219142D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n 0.1009 0.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4000 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4000 2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6990 0.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -1.1981 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 5 1 2 3 4 5\nM SMT 1 N-methylformamide\nM END\n> <name>\nn-methylformamide\n\n> <abbreviation>\nN-methylformamide\n\n> <group>\nSalts and Solvents\n\n$$$$\npropane nitrile\n -INDIGO-11302219142D\n\n 4 3 0 0 0 0 0 0 0 0999 V2000\n 6.8971 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2990 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 4 3 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 4 1 2 3 4\nM SMT 1 propane nitrile\nM END\n> <name>\npropane nitrile\n\n> <abbreviation>\npropane nitrile\n\n> <group>\nSalts and Solvents\n\n$$$$\nsulfolane\n -INDIGO-11302219142D\n\n 7 7 0 0 0 0 0 0 0 0999 V2000\n 0.7500 2.3100 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4600 1.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9600 1.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5000 3.6090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0673 3.5678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3 2 1 0 0 0 0\n 2 1 1 0 0 0 0\n 1 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 3 1 0 0 0 0\n 1 6 2 0 0 0 0\n 1 7 2 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 sulfolane\nM END\n> <name>\nsulfolane\n\n> <abbreviation>\nsulfolane\n\n> <group>\nSalts and Solvents\n\n$$$$\namyl acetate\n -INDIGO-11302219142D\n\n 9 8 0 0 0 0 0 0 0 0999 V2000\n 5.8307 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1297 -0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5316 -0.3786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8307 1.8714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2326 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9335 -0.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6345 0.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6646 -0.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9636 0.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SAL 1 1 9\nM SMT 1 amyl acetate\nM END\n> <name>\namyl acetate\n\n> <abbreviation>\namyl acetate\n\n> <group>\nSalts and Solvents\n\n$$$$\nbutyl acetate\n -INDIGO-11302219142D\n\n 8 7 0 0 0 0 0 0 0 0999 V2000\n 7.5466 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8456 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9486 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6495 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2476 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3505 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8456 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1446 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 5 1 0 0 0 0\n 1 7 1 0 0 0 0\n 2 7 2 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 7 8 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 butyl acetate\nM END\n> <name>\nbutyl acetate\n\n> <abbreviation>\nbutyl acetate\n\n> <group>\nSalts and Solvents\n\n$$$$\ndimethyl carbonate\n -INDIGO-11302219142D\n\n 6 5 0 0 0 0 0 0 0 0999 V2000\n 0.5429 -0.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5429 1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7562 -1.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8419 -1.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0552 -0.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1409 -0.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 dimethyl carbonate\nM END\n> <name>\ndimethyl carbonate\n\n> <abbreviation>\ndimethyl carbonate\n\n> <group>\nSalts and Solvents\n\n$$$$\nethyl acetate\n -INDIGO-11302219142D\n\n 6 5 0 0 0 0 0 0 0 0999 V2000\n 2.7079 -0.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7079 1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0070 -1.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4089 -1.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1099 -0.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.1891 -1.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 ethyl acetate\nM END\n> <name>\nethyl acetate\n\n> <abbreviation>\nethyl acetate\n\n> <group>\nSalts and Solvents\n\n$$$$\nethyl formate\n -INDIGO-11302219142D\n\n 6 5 0 0 0 0 0 0 0 0999 V2000\n 5.8087 -2.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8087 -1.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5094 -3.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2098 -2.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9103 -3.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1078 -3.3904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 2 0 0 0 0\n 3 1 1 0 0 0 0\n 4 3 1 0 0 0 0\n 5 4 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 ethyl formate\nM END\n> <name>\nethyl formate\n\n> <abbreviation>\nethyl formate\n\n> <group>\nSalts and Solvents\n\n$$$$\nethyl lactate\n -INDIGO-11302219142D\n\n 8 7 0 0 0 0 0 0 0 0999 V2000\n -0.3480 1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9509 2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2500 1.2991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5491 2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5491 3.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8480 1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1471 2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8480 -0.2009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 ethyl lactate\nM END\n> <name>\nethyl lactate\n\n> <abbreviation>\nethyl lactate\n\n> <group>\nSalts and Solvents\n\n$$$$\nethyl propionate\n -INDIGO-11302219142D\n\n 7 6 0 0 0 0 0 0 0 0999 V2000\n -0.3480 1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9509 2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2500 1.2991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5491 2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5491 3.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8480 1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1471 2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 ethyl propionate\nM END\n> <name>\nethyl propionate\n\n> <abbreviation>\nethyl propionate\n\n> <group>\nSalts and Solvents\n\n$$$$\nethylene carbonate\n -INDIGO-11302219142D\n\n 6 6 0 0 0 0 0 0 0 0999 V2000\n 1.0323 3.5259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0323 2.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2458 1.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7823 -0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2824 -0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1813 1.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 2 6 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 ethylene carbonate\nM END\n> <name>\nethylene carbonate\n\n> <abbreviation>\nethylene carbonate\n\n> <group>\nSalts and Solvents\n\n$$$$\nisobutyl acetate\n -INDIGO-11302219142D\n\n 8 7 0 0 0 0 0 0 0 0999 V2000\n 4.4399 -0.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4399 1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7390 -1.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1409 -1.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8419 -0.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5429 -1.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5429 -2.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7561 -0.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 isobutyl acetate\nM END\n> <name>\nisobutyl acetate\n\n> <abbreviation>\nisobutyl acetate\n\n> <group>\nSalts and Solvents\n\n$$$$\nisopropyl acetate\n -INDIGO-11302219142D\n\n 7 6 0 0 0 0 0 0 0 0999 V2000\n 3.1409 -0.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1409 1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4400 -1.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8419 -1.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5429 -0.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7561 -1.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5429 1.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 isopropyl acetate\nM END\n> <name>\nisopropyl acetate\n\n> <abbreviation>\nisopropyl acetate\n\n> <group>\nSalts and Solvents\n\n$$$$\nmethyl acetate\n -INDIGO-11302219142D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n 0.5429 -0.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5429 1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7562 -1.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8419 -1.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1409 -0.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 5 1 2 3 4 5\nM SMT 1 methyl acetate\nM END\n> <name>\nmethyl acetate\n\n> <abbreviation>\nmethyl acetate\n\n> <group>\nSalts and Solvents\n\n$$$$\nmethyl formate\n -INDIGO-11302219142D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n 1.5821 -0.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5821 1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8812 -1.0929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2831 -1.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0159 -0.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 5 1 2 3 4 5\nM SMT 1 methyl formate\nM END\n> <name>\nmethyl formate\n\n> <abbreviation>\nmethyl formate\n\n> <group>\nSalts and Solvents\n\n$$$$\nmethyl lactate\n -INDIGO-11302219142D\n\n 7 6 0 0 0 0 0 0 0 0999 V2000\n 7.6971 -2.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3980 -2.8571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0991 -2.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0991 -0.6071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8000 -2.8571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5009 -2.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8000 -4.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 methyl lactate\nM END\n> <name>\nmethyl lactate\n\n> <abbreviation>\nmethyl lactate\n\n> <group>\nSalts and Solvents\n\n$$$$\nn-octylacetate\n -INDIGO-11302219142D\n\n 12 11 0 0 0 0 0 0 0 0999 V2000\n 7.7009 4.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0000 5.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2991 4.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5980 5.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8971 4.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1962 5.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4953 4.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.7942 5.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.0933 4.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 19.3924 5.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.6913 4.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.3924 7.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 2 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SAL 1 4 9 10 11 12\nM SMT 1 n-octylacetate\nM END\n> <name>\nn-octylacetate\n\n> <abbreviation>\nn-octylacetate\n\n> <group>\nSalts and Solvents\n\n$$$$\npropyl acetate\n -INDIGO-11302219142D\n\n 7 6 0 0 0 0 0 0 0 0999 V2000\n 6.3403 -0.1607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6395 2.0893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7423 -0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0413 0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4433 0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6395 0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9385 -0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 4 1 0 0 0 0\n 1 6 1 0 0 0 0\n 2 6 2 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 propyl acetate\nM END\n> <name>\npropyl acetate\n\n> <abbreviation>\npropyl acetate\n\n> <group>\nSalts and Solvents\n\n$$$$\npropylene carbonate\n -INDIGO-11302219142D\n\n 7 7 0 0 0 0 0 0 0 0999 V2000\n 0.5661 -1.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5661 -0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6474 0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1839 1.9338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3160 1.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1978 3.1472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7797 0.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 1 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 propylene carbonate\nM END\n> <name>\npropylene carbonate\n\n> <abbreviation>\npropylene carbonate\n\n> <group>\nSalts and Solvents\n\n$$$$\nt-butyl acetate\n -INDIGO-11302219142D\n\n 8 7 0 0 0 0 0 0 0 0999 V2000\n 6.0125 -7.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7134 -6.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7134 -5.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4144 -7.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1153 -6.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8163 -5.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3653 -8.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8653 -5.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 t-butyl acetate\nM END\n> <name>\nt-butyl acetate\n\n> <abbreviation>\nt-butyl acetate\n\n> <group>\nSalts and Solvents\n\n$$$$\n1,2-dimethoxyethane\n -INDIGO-11302219142D\n\n 6 5 0 0 0 0 0 0 0 0999 V2000\n -0.0857 0.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2133 -0.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5124 0.1714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3848 -0.5786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8114 -0.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6838 0.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 1,2-dimethoxyethane\nM END\n> <name>\n1,2-dimethoxyethane\n\n> <abbreviation>\n1,2-dimethoxyethane\n\n> <group>\nSalts and Solvents\n\n$$$$\n1,4-dioxane\n -INDIGO-11302219142D\n\n 6 6 0 0 0 0 0 0 0 0999 V2000\n 3.9490 -2.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6500 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6500 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9490 -5.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2481 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2481 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 2 1 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 1 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 1,4-dioxane\nM END\n> <name>\n1,4-dioxane\n\n> <abbreviation>\n1,4-dioxane\n\n> <group>\nSalts and Solvents\n\n$$$$\n2-methyl tetrahydrofuran\n -INDIGO-11302219142D\n\n 6 6 0 0 0 0 0 0 0 0999 V2000\n 0.7500 2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4600 1.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9600 1.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3860 1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 2 1 0 0 0 0\n 2 1 1 0 0 0 0\n 1 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 3 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 2-methyl tetrahydrofuran\nM END\n> <name>\n2-methyl tetrahydrofuran\n\n> <abbreviation>\n2-methyl tetrahydrofuran\n\n> <group>\nSalts and Solvents\n\n$$$$\nanisole\n -INDIGO-11302219142D\n\n 8 8 0 0 0 0 0 0 0 0999 V2000\n 6.1000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8010 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3990 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8010 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3990 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1000 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3990 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 2 0 0 0 0\n 2 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 3 1 0 0 0 0\n 1 7 1 0 0 0 0\n 7 8 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 anisole\nM END\n> <name>\nanisole\n\n> <abbreviation>\nanisole\n\n> <group>\nSalts and Solvents\n\n$$$$\nbutyl carbitol\n -INDIGO-11302219142D\n\n 11 10 0 0 0 0 0 0 0 0999 V2000\n -0.2227 -3.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0742 -3.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3750 -3.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6719 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9782 -3.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2751 -3.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5758 -3.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8728 -3.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1792 -3.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4761 -3.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7768 -3.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SAL 1 3 9 10 11\nM SMT 1 butyl carbitol\nM END\n> <name>\nbutyl carbitol\n\n> <abbreviation>\nbutyl carbitol\n\n> <group>\nSalts and Solvents\n\n$$$$\ncyclopentyl methyl ether\n -INDIGO-11302219142D\n\n 7 7 0 0 0 0 0 0 0 0999 V2000\n 6.1000 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8010 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3990 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5053 1.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3855 0.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4886 -0.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9950 -0.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 5 4 1 0 0 0 0\n 4 2 1 0 0 0 0\n 2 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 5 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 cyclopentyl methyl ether\nM END\n> <name>\ncyclopentyl methyl ether\n\n> <abbreviation>\ncyclopentyl methyl ether\n\n> <group>\nSalts and Solvents\n\n$$$$\ndibutyl ether\n -INDIGO-11302219142D\n\n 9 8 0 0 0 0 0 0 0 0999 V2000\n 5.4509 4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0491 4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3480 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6470 4.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9461 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2452 4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5441 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8432 4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SAL 1 1 9\nM SMT 1 dibutyl ether\nM END\n> <name>\ndibutyl ether\n\n> <abbreviation>\ndibutyl ether\n\n> <group>\nSalts and Solvents\n\n$$$$\ndiethyl ether\n -INDIGO-11302219142D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n 6.1000 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3990 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8010 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5019 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6980 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 5 1 2 3 4 5\nM SMT 1 ether\nM END\n> <name>\ndiethyl ether\n\n> <abbreviation>\nether\n\n> <group>\nSalts and Solvents\n\n$$$$\ndiethylene glycol\n -INDIGO-11302219142D\n\n 7 6 0 0 0 0 0 0 0 0999 V2000\n 7.7875 -1.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4896 -2.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1892 -1.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8854 -2.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5884 -1.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2906 -2.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0845 -2.2313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 7 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 diethylene glycol\nM END\n> <name>\ndiethylene glycol\n\n> <abbreviation>\ndiethylene glycol\n\n> <group>\nSalts and Solvents\n\n$$$$\ndiglyme\n -INDIGO-11302219142D\n\n 9 8 0 0 0 0 0 0 0 0999 V2000\n -0.0857 0.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2133 -0.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5124 0.1714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3848 -0.5786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8114 -0.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6838 0.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9828 -0.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2818 0.1714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.5809 -0.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SAL 1 1 9\nM SMT 1 diglyme\nM END\n> <name>\ndiethylene glycol dimethyl ether\n\n> <abbreviation>\ndiglyme\n\n> <group>\nSalts and Solvents\n\n$$$$\ndiisopropyl ether\n -INDIGO-11302219142D\n\n 7 6 0 0 0 0 0 0 0 0999 V2000\n 5.5971 2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2980 3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2980 5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9991 2.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7000 3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4009 2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7000 5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 diisopropyl ether\nM END\n> <name>\ndiisopropyl ether\n\n> <abbreviation>\ndiisopropyl ether\n\n> <group>\nSalts and Solvents\n\n$$$$\ndimethyl ether\n -INDIGO-11302219142D\n\n 3 2 0 0 0 0 0 0 0 0999 V2000\n 4.2989 -0.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5980 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9999 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 3 1 2 3\nM SMT 1 dimethyl ether\nM END\n> <name>\ndimethyl ether\n\n> <abbreviation>\ndimethyl ether\n\n> <group>\nSalts and Solvents\n\n$$$$\ndiphenyl ether\n -INDIGO-11302219142D\n\n 13 14 0 0 0 0 0 0 0 0999 V2000\n 7.1190 1.0305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8200 0.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8200 -1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5210 -1.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2219 -1.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2219 0.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5209 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4181 0.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7171 1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0161 0.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0161 -1.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7170 -1.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4180 -1.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 1 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SAL 1 5 9 10 11 12 13\nM SMT 1 diphenyl ether\nM END\n> <name>\ndiphenyl ether\n\n> <abbreviation>\ndiphenyl ether\n\n> <group>\nSalts and Solvents\n\n$$$$\nethoxybenzene\n -INDIGO-11302219142D\n\n 9 9 0 0 0 0 0 0 0 0999 V2000\n 0.0000 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2991 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2991 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5980 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5980 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2991 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SAL 1 1 9\nM SMT 1 ethoxybenzene\nM END\n> <name>\nethoxybenzene\n\n> <abbreviation>\nethoxybenzene\n\n> <group>\nSalts and Solvents\n\n$$$$\nmethyl t-butyl ether\n -INDIGO-11302219142D\n\n 6 5 0 0 0 0 0 0 0 0999 V2000\n 6.1000 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8010 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3990 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5019 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0510 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5510 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 2 6 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 methyl t-butyl ether\nM END\n> <name>\nmethyl t-butyl ether\n\n> <abbreviation>\nmethyl t-butyl ether\n\n> <group>\nSalts and Solvents\n\n$$$$\nt-amyl methyl ether\n -INDIGO-11302219142D\n\n 7 6 0 0 0 0 0 0 0 0999 V2000\n 6.8972 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5982 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2990 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8482 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3482 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 7 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 t-amyl methyl ether\nM END\n> <name>\nt-amyl methyl ether\n\n> <abbreviation>\nt-amyl methyl ether\n\n> <group>\nSalts and Solvents\n\n$$$$\nt-butylethyl ether\n -INDIGO-11302219142D\n\n 7 6 0 0 0 0 0 0 0 0999 V2000\n 2.3688 -7.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0698 -7.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2293 -7.1129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5283 -7.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8274 -8.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2783 -6.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7783 -9.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 4 7 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 t-butylethyl ether\nM END\n> <name>\nt-butylethyl ether\n\n> <abbreviation>\nt-butylethyl ether\n\n> <group>\nSalts and Solvents\n\n$$$$\ntetrahydrofuran\n -INDIGO-11302219142D\n\n 5 5 0 0 0 0 0 0 0 0999 V2000\n 0.7500 2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4600 1.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9600 1.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 2 1 0 0 0 0\n 2 1 1 0 0 0 0\n 1 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 3 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 5 1 2 3 4 5\nM SMT 1 THF\nM END\n> <name>\ntetrahydrofuran\n\n> <abbreviation>\nTHF\n\n> <group>\nSalts and Solvents\n\n$$$$\ntriethylene glycol\n -INDIGO-11302219142D\n\n 10 9 0 0 0 0 0 0 0 0999 V2000\n 4.1520 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4509 4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0491 4.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3480 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6471 4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9462 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2453 4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5442 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8433 4.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SAL 1 2 9 10\nM SMT 1 triethylene glycol\nM END\n> <name>\ntriethylene glycol\n\n> <abbreviation>\ntriethylene glycol\n\n> <group>\nSalts and Solvents\n\n$$$$\n1,2,4-trichlorobenzene\n -INDIGO-11302219142D\n\n 9 9 0 0 0 0 0 0 0 0999 V2000\n 2.2506 -3.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9991 -2.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2506 -1.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7485 -1.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7485 -3.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -5.1978 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9991 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 6 2 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 3 9 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 8 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SAL 1 1 9\nM SMT 1 1,2,4-trichlorobenzene\nM END\n> <name>\n1,2,4-trichlorobenzene\n\n> <abbreviation>\n1,2,4-trichlorobenzene\n\n> <group>\nSalts and Solvents\n\n$$$$\n1,2-dichlorobenzene\n -INDIGO-11302219142D\n\n 8 8 0 0 0 0 0 0 0 0999 V2000\n 0.9558 -0.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4581 -0.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2048 0.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4555 1.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9571 1.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2065 0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2078 3.0567 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2060 3.0573 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 6 2 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 8 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 1,2-dichlorobenzene\nM END\n> <name>\n1,2-dichlorobenzene\n\n> <abbreviation>\n1,2-dichlorobenzene\n\n> <group>\nSalts and Solvents\n\n$$$$\n1,2-dichloroethane\n -INDIGO-11302219142D\n\n 4 3 0 0 0 0 0 0 0 0999 V2000\n -0.2571 0.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0419 1.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3409 0.8286 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5562 1.5786 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 4 1 2 3 4\nM SMT 1 DCE\nM END\n> <name>\n1,2-dichloroethane\n\n> <abbreviation>\nDCE\n\n> <group>\nSalts and Solvents\n\n$$$$\n2,2,2-trifluoroethanol\n -INDIGO-11302219142D\n\n 6 5 0 0 0 0 0 0 0 0999 V2000\n 2.3661 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0670 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0670 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0670 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4330 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5670 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 2,2,2-trifluoroethanol\nM END\n> <name>\n2,2,2-trifluoroethanol\n\n> <abbreviation>\n2,2,2-trifluoroethanol\n\n> <group>\nSalts and Solvents\n\n$$$$\n2,3,4-trifluorotoluene\n -INDIGO-11302219142D\n\n 10 10 0 0 0 0 0 0 0 0999 V2000\n 4.0898 1.7173 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0899 1.7173 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5899 -0.8808 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0898 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8398 0.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8399 -2.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3399 0.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5898 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3399 -2.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0899 -0.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 5 1 0 0 0 0\n 2 7 1 0 0 0 0\n 3 10 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 4 8 1 0 0 0 0\n 5 7 1 0 0 0 0\n 6 9 2 0 0 0 0\n 7 10 2 0 0 0 0\n 9 10 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SAL 1 2 9 10\nM SMT 1 2,3,4-trifluorotoluene\nM END\n> <name>\n2,3,4-trifluorotoluene\n\n> <abbreviation>\n2,3,4-trifluorotoluene\n\n> <group>\nSalts and Solvents\n\n$$$$\ncarbon tetrachloride\n -INDIGO-11302219142D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n 6.1000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1000 1.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1000 -1.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6000 0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6000 0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 5 1 2 3 4 5\nM SMT 1 carbon tetrachloride\nM END\n> <name>\ncarbon tetrachloride\n\n> <abbreviation>\ncarbon tetrachloride\n\n> <group>\nSalts and Solvents\n\n$$$$\nchloroacetic acid\n -INDIGO-11302219142D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n 9.0626 -7.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0626 -5.5268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3632 -7.7759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4658 -7.0246 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7666 -7.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 2 0 0 0 0\n 3 1 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 1 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 5 1 2 3 4 5\nM SMT 1 chloroacetic acid\nM END\n> <name>\nchloroacetic acid\n\n> <abbreviation>\nchloroacetic acid\n\n> <group>\nSalts and Solvents\n\n$$$$\nchlorobenzene\n -INDIGO-11302219142D\n\n 7 7 0 0 0 0 0 0 0 0999 V2000\n 6.1000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8010 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3990 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8010 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3990 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1000 1.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 2 0 0 0 0\n 2 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 3 1 0 0 0 0\n 1 7 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 chlorobenzene\nM END\n> <name>\nchlorobenzene\n\n> <abbreviation>\nchlorobenzene\n\n> <group>\nSalts and Solvents\n\n$$$$\nchloroform\n -INDIGO-11302219142D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n 6.1000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1000 1.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1000 -1.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6000 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6000 0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 5 1 2 3 4 5\nM SMT 1 chloroform\nM END\n> <name>\nchloroform\n\n> <abbreviation>\nchloroform\n\n> <group>\nSalts and Solvents\n\n$$$$\ndichloromethane\n -INDIGO-11302219142D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n 6.1000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8010 -0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3990 -0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8500 1.5490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3500 1.5490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 5 1 2 3 4 5\nM SMT 1 DCM\nM END\n> <name>\ndichloromethane\n\n> <abbreviation>\nDCM\n\n> <group>\nSalts and Solvents\n\n$$$$\nfluorobenzene\n -INDIGO-11302219142D\n\n 7 7 0 0 0 0 0 0 0 0999 V2000\n 1.2991 3.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2991 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5980 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5980 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2991 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 fluorobenzene\nM END\n> <name>\nfluorobenzene\n\n> <abbreviation>\nfluorobenzene\n\n> <group>\nSalts and Solvents\n\n$$$$\nperfluorocyclic ether\n -INDIGO-11302219142D\n\n 25 25 0 0 0 0 0 0 0 0999 V2000\n -1.9038 -6.0746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9038 -4.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4038 -4.5746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9038 -3.0746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4038 -4.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4038 -6.0746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4038 -3.0746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0962 -4.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0962 -6.0746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0962 -3.0746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5962 -4.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5962 -6.0746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5962 -3.0746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0962 -4.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9395 -6.0662 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9395 -3.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3099 -2.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5598 -1.1736 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5233 -1.5909 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3135 -3.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3173 -2.4726 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5271 -4.4689 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5635 -4.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7677 -5.7808 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4224 -6.3797 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\n 8 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 11 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 14 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 17 19 1 0 0 0 0\n 17 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 20 22 1 0 0 0 0\n 20 23 1 0 0 0 0\n 14 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 23 25 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SAL 1 8 9 10 11 12 13 14 15 16\nM SAL 1 8 17 18 19 20 21 22 23 24\nM SAL 1 1 25\nM SMT 1 perfluorocyclic ether\nM END\n> <name>\nperfluorocyclic ether\n\n> <abbreviation>\nperfluorocyclic ether\n\n> <group>\nSalts and Solvents\n\n$$$$\nperfluorocyclohexane\n -INDIGO-11302219142D\n\n 18 18 0 0 0 0 0 0 0 0999 V2000\n 7.8482 2.0490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5982 0.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5491 2.7990 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0490 2.7990 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5982 -0.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8482 -2.0490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 0.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7500 2.0490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0490 -2.7990 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5491 -2.7990 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7500 -2.0490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -0.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0982 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7991 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0982 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7991 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 13 1 0 0 0 0\n 2 13 1 0 0 0 0\n 3 14 1 0 0 0 0\n 4 14 1 0 0 0 0\n 5 15 1 0 0 0 0\n 6 15 1 0 0 0 0\n 7 16 1 0 0 0 0\n 8 16 1 0 0 0 0\n 9 17 1 0 0 0 0\n 10 17 1 0 0 0 0\n 11 18 1 0 0 0 0\n 12 18 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 1 0 0 0 0\n 14 16 1 0 0 0 0\n 15 17 1 0 0 0 0\n 16 18 1 0 0 0 0\n 17 18 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SAL 1 8 9 10 11 12 13 14 15 16\nM SAL 1 2 17 18\nM SMT 1 perfluorocyclohexane\nM END\n> <name>\nperfluorocyclohexane\n\n> <abbreviation>\nperfluorocyclohexane\n\n> <group>\nSalts and Solvents\n\n$$$$\nperfluorohexane\n -INDIGO-11302219142D\n\n 20 19 0 0 0 0 0 0 0 0999 V2000\n 6.1472 0.9240 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6472 -1.6740 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9463 -0.9240 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4462 1.6740 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3482 -2.4240 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8482 0.1740 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7453 2.4240 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2453 -0.1740 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0491 -3.1740 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5490 -0.5760 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -2.6250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0444 3.1740 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5444 0.5760 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0935 2.6250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8972 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1963 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5982 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4953 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2991 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7944 1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 15 1 0 0 0 0\n 2 15 1 0 0 0 0\n 3 16 1 0 0 0 0\n 4 16 1 0 0 0 0\n 5 17 1 0 0 0 0\n 6 17 1 0 0 0 0\n 7 18 1 0 0 0 0\n 8 18 1 0 0 0 0\n 9 19 1 0 0 0 0\n 10 19 1 0 0 0 0\n 11 19 1 0 0 0 0\n 12 20 1 0 0 0 0\n 13 20 1 0 0 0 0\n 14 20 1 0 0 0 0\n 15 16 1 0 0 0 0\n 15 17 1 0 0 0 0\n 16 18 1 0 0 0 0\n 17 19 1 0 0 0 0\n 18 20 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SAL 1 8 9 10 11 12 13 14 15 16\nM SAL 1 4 17 18 19 20\nM SMT 1 perfluorohexane\nM END\n> <name>\nperfluorohexane\n\n> <abbreviation>\nperfluorohexane\n\n> <group>\nSalts and Solvents\n\n$$$$\nperfluorotoluene\n -INDIGO-11302219142D\n\n 15 15 0 0 0 0 0 0 0 0999 V2000\n 3.0000 0.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1962 0.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5982 3.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0982 2.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0982 2.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1962 -2.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -2.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5982 -3.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5982 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2990 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8972 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5982 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8972 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2990 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5982 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 10 1 0 0 0 0\n 2 11 1 0 0 0 0\n 3 12 1 0 0 0 0\n 4 12 1 0 0 0 0\n 5 12 1 0 0 0 0\n 6 13 1 0 0 0 0\n 7 14 1 0 0 0 0\n 8 15 1 0 0 0 0\n 9 10 2 0 0 0 0\n 9 11 1 0 0 0 0\n 9 12 1 0 0 0 0\n 10 14 1 0 0 0 0\n 11 13 2 0 0 0 0\n 13 15 1 0 0 0 0\n 14 15 2 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SAL 1 7 9 10 11 12 13 14 15\nM SMT 1 perfluorotoluene\nM END\n> <name>\nperfluorotoluene\n\n> <abbreviation>\nperfluorotoluene\n\n> <group>\nSalts and Solvents\n\n$$$$\ntrichloroacetic acid\n -INDIGO-11302219142D\n\n 7 6 0 0 0 0 0 0 0 0999 V2000\n 4.3154 -3.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6336 -2.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6336 -1.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0543 -2.8010 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1051 -4.3218 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3090 -5.1835 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9579 -3.6120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0 0\n 3 2 2 0 0 0 0\n 4 1 1 0 0 0 0\n 5 1 1 0 0 0 0\n 6 1 1 0 0 0 0\n 7 2 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 trichloroacetic acid\nM END\n> <name>\ntrichloroacetic acid\n\n> <abbreviation>\ntrichloroacetic acid\n\n> <group>\nSalts and Solvents\n\n$$$$\ntrichloroacetonitrile\n -INDIGO-11302219142D\n\n 6 5 0 0 0 0 0 0 0 0999 V2000\n 4.5000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 3 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 trichloroacetonitrile\nM END\n> <name>\ntrichloroacetonitrile\n\n> <abbreviation>\ntrichloroacetonitrile\n\n> <group>\nSalts and Solvents\n\n$$$$\ntrifluoroacetic acid\n -INDIGO-11302219142D\n\n 7 6 0 0 0 0 0 0 0 0999 V2000\n 1.0500 -4.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3000 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0500 -2.4009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2000 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7000 -3.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2000 -2.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2000 -5.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 4 7 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 trifluoroacetic acid\nM END\n> <name>\ntrifluoroacetic acid\n\n> <abbreviation>\ntrifluoroacetic acid\n\n> <group>\nSalts and Solvents\n\n$$$$\ntrifluoromethylbenzene\n -INDIGO-11302219142D\n\n 10 10 0 0 0 0 0 0 0 0999 V2000\n 6.1000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8010 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3990 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8010 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3990 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1000 3.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6000 1.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6000 1.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 2 0 0 0 0\n 2 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 3 1 0 0 0 0\n 1 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 7 10 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SAL 1 2 9 10\nM SMT 1 trifluoromethylbenzene\nM END\n> <name>\ntrifluoromethylbenzene\n\n> <abbreviation>\ntrifluoromethylbenzene\n\n> <group>\nSalts and Solvents\n\n$$$$\n2-methylpentane\n -INDIGO-11302219142D\n\n 6 5 0 0 0 0 0 0 0 0999 V2000\n 0.5471 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7520 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0509 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3500 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6491 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3500 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 2-methylpentane\nM END\n> <name>\n2-methylpentane\n\n> <abbreviation>\n2-methylpentane\n\n> <group>\nSalts and Solvents\n\n$$$$\ncis-decalin\n -INDIGO-11302219142D\n\n 12 13 0 0 1 0 0 0 0 0999 V2000\n 2.6130 -0.7481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.6130 -2.2234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.3195 -3.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3195 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8754 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8754 -2.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1948 -0.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1948 -2.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5583 0.8018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6130 -3.6988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 4 1 0 0 0 0\n 1 5 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 6 1 0 0 0 0\n 3 10 1 0 0 0 0\n 4 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 7 10 1 0 0 0 0\n 8 9 1 0 0 0 0\n 1 11 1 1 0 0 0\n 2 12 1 1 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SAL 1 4 9 10 11 12\nM SMT 1 cis-decalin\nM END\n> <name>\ncis-decalin\n\n> <abbreviation>\ncis-decalin\n\n> <group>\nSalts and Solvents\n\n$$$$\ncyclohexane\n -INDIGO-11302219142D\n\n 6 6 0 0 0 0 0 0 0 0999 V2000\n 3.9490 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6500 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6500 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9490 -5.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2481 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2481 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 2 1 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 1 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 cyclohexane\nM END\n> <name>\ncyclohexane\n\n> <abbreviation>\ncyclohexane\n\n> <group>\nSalts and Solvents\n\n$$$$\nisooctane\n -INDIGO-11302219142D\n\n 8 7 0 0 0 0 0 0 0 0999 V2000\n 4.6062 -2.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9052 -1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2043 -2.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5033 -1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8023 -2.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1552 -0.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6552 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5033 -0.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 2 7 1 0 0 0 0\n 4 8 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 isooctane\nM END\n> <name>\nisooctane\n\n> <abbreviation>\nisooctane\n\n> <group>\nSalts and Solvents\n\n$$$$\nmethylcyclohexane\n -INDIGO-11302219142D\n\n 7 7 0 0 0 0 0 0 0 0999 V2000\n 3.9490 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6500 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6500 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9490 -5.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2481 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2481 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9490 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 2 1 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 1 1 0 0 0 0\n 1 7 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 methylcyclohexane\nM END\n> <name>\nmethylcyclohexane\n\n> <abbreviation>\nmethylcyclohexane\n\n> <group>\nSalts and Solvents\n\n$$$$\nmethylcyclopentane\n -INDIGO-11302219142D\n\n 6 6 0 0 0 0 0 0 0 0999 V2000\n 4.2136 0.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4271 -0.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0001 -0.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9636 -1.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4636 -1.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2136 1.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 6 1 0 0 0 0\n 2 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 methylcyclopentane\nM END\n> <name>\nmethylcyclopentane\n\n> <abbreviation>\nmethylcyclopentane\n\n> <group>\nSalts and Solvents\n\n$$$$\nheptane\n -INDIGO-11302219142D\n\n 7 6 0 0 0 0 0 0 0 0999 V2000\n 4.6062 -2.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9052 -1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2043 -2.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5033 -1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8023 -2.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1014 -1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4004 -2.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 n-heptane\nM END\n> <name>\nheptane\n\n> <abbreviation>\nn-heptane\n\n> <group>\nSalts and Solvents\n\n$$$$\nhexane\n -INDIGO-11302219142D\n\n 6 5 0 0 0 0 0 0 0 0999 V2000\n 4.6062 -2.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9052 -1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2043 -2.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5033 -1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8023 -2.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1014 -1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 n-hexane\nM END\n> <name>\nhexane\n\n> <abbreviation>\nn-hexane\n\n> <group>\nSalts and Solvents\n\n$$$$\npentane\n -INDIGO-11302219142D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n 2.5624 -4.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1578 -4.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8600 -3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4556 -3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2647 -3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 1 1 0 0 0 0\n 4 2 1 0 0 0 0\n 5 1 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 5 1 2 3 4 5\nM SMT 1 pentane\nM END\n> <name>\npentane\n\n> <abbreviation>\npentane\n\n> <group>\nSalts and Solvents\n\n$$$$\n2-pentanone\n -INDIGO-11302219142D\n\n 6 5 0 0 0 0 0 0 0 0999 V2000\n -1.5971 -4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2980 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0009 -4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3000 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5991 -4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3000 -1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 2-pentanone\nM END\n> <name>\n2-pentanone\n\n> <abbreviation>\n2-pentanone\n\n> <group>\nSalts and Solvents\n\n$$$$\n3-pentanone\n -INDIGO-11302219142D\n\n 6 5 0 0 0 0 0 0 0 0999 V2000\n 2.6558 5.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9548 4.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2538 5.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2539 6.9040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5530 4.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8520 5.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 3-pentanone\nM END\n> <name>\n3-pentanone\n\n> <abbreviation>\n3-pentanone\n\n> <group>\nSalts and Solvents\n\n$$$$\nacetone\n -INDIGO-11302219142D\n\n 4 3 0 0 0 0 0 0 0 0999 V2000\n 0.0571 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2419 -0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3562 -0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0571 1.8714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 2 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 4 1 2 3 4\nM SMT 1 propanone\nM END\n> <name>\nacetone\n\n> <abbreviation>\npropanone\n\n> <group>\nSalts and Solvents\n\n$$$$\ncyclohexanone\n -INDIGO-11302219142D\n\n 7 7 0 0 0 0 0 0 0 0999 V2000\n 0.0571 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2419 -0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3562 -0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0571 1.8714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2419 -1.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0571 -2.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3562 -1.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 2 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 3 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 cyclohexanone\nM END\n> <name>\ncyclohexanone\n\n> <abbreviation>\ncyclohexanone\n\n> <group>\nSalts and Solvents\n\n$$$$\ncyclopentanone\n -INDIGO-11302219142D\n\n 6 6 0 0 0 0 0 0 0 0999 V2000\n 1.0323 3.5259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0323 2.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2458 1.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7823 -0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2824 -0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1813 1.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 2 6 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 cyclopentanone\nM END\n> <name>\ncyclopentanone\n\n> <abbreviation>\ncyclopentanone\n\n> <group>\nSalts and Solvents\n\n$$$$\nmethyl ethyl ketone\n -INDIGO-11302219142D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n 0.0571 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2419 -0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3562 -0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0571 1.8714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5409 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 2 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 5 1 2 3 4 5\nM SMT 1 MEK\nM END\n> <name>\nmethyl ethyl ketone\n\n> <abbreviation>\nMEK\n\n> <group>\nSalts and Solvents\n\n$$$$\nmethyl isobutyl ketone\n -INDIGO-11302219142D\n\n 7 6 0 0 0 0 0 0 0 0999 V2000\n 0.0571 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2419 -0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3562 -0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0571 1.8714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5409 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8399 -0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5409 1.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 2 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 methyl isobutyl ketone\nM END\n> <name>\nmethyl isobutyl ketone\n\n> <abbreviation>\nmethyl isobutyl ketone\n\n> <group>\nSalts and Solvents\n\n$$$$\ncarbon disulfide\n -INDIGO-11302219142D\n\n 3 2 0 0 0 0 0 0 0 0999 V2000\n 5.7990 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7989 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2989 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 3 2 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 3 1 2 3\nM SMT 1 carbon disulfide\nM END\n> <name>\ncarbon disulfide\n\n> <abbreviation>\ncarbon disulfide\n\n> <group>\nSalts and Solvents\n\n$$$$\nnitromethane\n -INDIGO-11302219142D\n\n 4 3 0 0 0 0 0 0 0 0999 V2000\n 1.5009 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8000 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0991 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8000 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\nM CHG 2 2 1 3 -1\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 4 1 2 3 4\nM SMT 1 nitromethane\nM END\n> <name>\nnitromethane\n\n> <abbreviation>\nnitromethane\n\n> <group>\nSalts and Solvents\n\n$$$$\no-xylene\n -INDIGO-11302219142D\n\n 8 8 0 0 0 0 0 0 0 0999 V2000\n -2.1500 4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4490 3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4490 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1500 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8510 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8510 3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1500 5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4481 4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 1 1 0 0 0 0\n 1 7 1 0 0 0 0\n 6 8 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 o-xylene\nM END\n> <name>\no-xylene\n\n> <abbreviation>\no-xylene\n\n> <group>\nSalts and Solvents\n\n$$$$\nm-xylene\n -INDIGO-11302219142D\n\n 8 8 0 0 0 0 0 0 0 0999 V2000\n -2.1500 4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4490 3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4490 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1500 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8510 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8510 3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1500 5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4480 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 1 1 0 0 0 0\n 1 7 1 0 0 0 0\n 5 8 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 m-xylene\nM END\n> <name>\nm-xylene\n\n> <abbreviation>\nm-xylene\n\n> <group>\nSalts and Solvents\n\n$$$$\np-xylene\n -INDIGO-11302219142D\n\n 8 8 0 0 0 0 0 0 0 0999 V2000\n -2.1500 4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4490 3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4490 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1500 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8510 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8510 3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1500 5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1500 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 1 1 0 0 0 0\n 1 7 1 0 0 0 0\n 4 8 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 p-xylene\nM END\n> <name>\np-xylene\n\n> <abbreviation>\np-xylene\n\n> <group>\nSalts and Solvents\n\n$$$$\nDIPEA\n -INDIGO-11302219142D\n\n 9 8 0 0 0 0 0 0 0 0999 V2000\n -1.5490 7.3145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5490 8.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8481 6.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2500 6.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1471 7.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8481 5.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0490 7.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2500 5.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8481 9.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 4 8 1 0 0 0 0\n 2 9 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SAL 1 1 9\nM SMT 1 DIPEA\nM END\n> <name>\nn,n-diisopropylethylamine\n\n> <abbreviation>\nDIPEA\n\n> <group>\nSalts and Solvents\n\n$$$$\n1,5-diazabicyclo[5.4.0]undec-7-ene\n -INDIGO-11302219142D\n\n 11 12 0 0 0 0 0 0 0 0999 V2000\n 1.6852 -0.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3514 1.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 1.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3515 1.0777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6852 -0.3847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1695 -0.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7175 -2.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7822 -3.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2990 -2.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7500 -1.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7500 -1.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 3 0 0 0\n 10 5 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 1 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SAL 1 3 9 10 11\nM SMT 1 DBU\nM END\n> <name>\n1,5-diazabicyclo[5.4.0]undec-7-ene\n\n> <abbreviation>\nDBU\n\n> <group>\nSalts and Solvents\n\n$$$$\nhexamethylphosphoramide\n -INDIGO-11302219142D\n\n 11 10 0 0 0 0 0 0 0 0999 V2000\n 2.3174 -0.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6235 -1.9903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8900 -0.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5935 -3.2519 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5935 -4.7619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0831 -3.2205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0654 -4.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1687 -1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1521 -3.2278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3934 -4.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0626 -2.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 4 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SAL 1 3 9 10 11\nM SMT 1 HMPA\nM END\n> <name>\nhexamethylphosphoramide\n\n> <abbreviation>\nHMPA\n\n> <group>\nSalts and Solvents\n\n$$$$\nhexamethylphosphorous triamide\n -INDIGO-11302219142D\n\n 10 9 0 0 0 0 0 0 0 0999 V2000\n 0.0007 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3000 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3000 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6000 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9000 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1992 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9000 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6031 -1.5008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9032 -2.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3053 -2.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 4 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SAL 1 2 9 10\nM SMT 1 HMPT\nM END\n> <name>\nhexamethylphosphorous triamide\n\n> <abbreviation>\nHMPT\n\n> <group>\nSalts and Solvents\n\n$$$$\nheavy water\n -INDIGO-11302219142D\n\n 3 2 0 0 0 0 0 0 0 0999 V2000\n 0.0007 0.0004 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3000 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5993 0.0004 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SLB 1 1 1\nM SAL 1 3 1 2 3\nM SMT 1 D2O\nM END\n> <name>\nheavy water\n\n> <abbreviation>\nD2O\n\n> <group>\nSalts and Solvents\n\n$$$$\n";
13593
13638
 
13594
- function ownKeys$13(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
13595
- function _objectSpread$13(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$13(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$13(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
13639
+ function ownKeys$14(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
13640
+ function _objectSpread$14(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$14(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$14(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
13596
13641
  var initialState$1 = {
13597
13642
  lib: [],
13598
13643
  mode: MODES.FG
@@ -13604,7 +13649,7 @@ var saltsAndSolventsReducer = function saltsAndSolventsReducer() {
13604
13649
  payload = _ref.payload;
13605
13650
  switch (type) {
13606
13651
  case 'SALTS_AND_SOLVENTS_INIT':
13607
- return _objectSpread$13(_objectSpread$13({}, state), payload);
13652
+ return _objectSpread$14(_objectSpread$14({}, state), payload);
13608
13653
  default:
13609
13654
  return state;
13610
13655
  }
@@ -13653,8 +13698,8 @@ function initSaltsAndSolventsTemplates() {
13653
13698
  }();
13654
13699
  }
13655
13700
 
13656
- function ownKeys$12(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
13657
- function _objectSpread$12(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$12(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$12(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
13701
+ function ownKeys$13(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
13702
+ function _objectSpread$13(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$13(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$13(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
13658
13703
  var initial = {
13659
13704
  freqAtoms: [],
13660
13705
  currentAtom: 0,
@@ -13674,7 +13719,7 @@ function updateVisibleTools(visibleTool, activeTool) {
13674
13719
  if (key === 'shape' && menuHeight > 900) return res;
13675
13720
  if (!key.match(regExp) || menuHeight > 700) res[key] = visibleTool[key];
13676
13721
  return res;
13677
- }, _objectSpread$12({}, activeTool));
13722
+ }, _objectSpread$13({}, activeTool));
13678
13723
  }
13679
13724
  function initResize() {
13680
13725
  return function (dispatch, getState) {
@@ -13698,41 +13743,41 @@ function toolbarReducer () {
13698
13743
  case 'ACTION':
13699
13744
  {
13700
13745
  var visibleTool = toolInMenu(action.action);
13701
- return visibleTool ? _objectSpread$12(_objectSpread$12({}, state), {}, {
13746
+ return visibleTool ? _objectSpread$13(_objectSpread$13({}, state), {}, {
13702
13747
  opened: null,
13703
- visibleTools: _objectSpread$12(_objectSpread$12({}, state.visibleTools), visibleTool)
13704
- }) : _objectSpread$12(_objectSpread$12({}, state), {}, {
13748
+ visibleTools: _objectSpread$13(_objectSpread$13({}, state.visibleTools), visibleTool)
13749
+ }) : _objectSpread$13(_objectSpread$13({}, state), {}, {
13705
13750
  opened: null
13706
13751
  });
13707
13752
  }
13708
13753
  case 'ADD_ATOMS':
13709
13754
  {
13710
13755
  var newState = addFreqAtom(data, state.freqAtoms, state.currentAtom);
13711
- return _objectSpread$12(_objectSpread$12({}, state), newState);
13756
+ return _objectSpread$13(_objectSpread$13({}, state), newState);
13712
13757
  }
13713
13758
  case 'CLEAR_VISIBLE':
13714
13759
  {
13715
13760
  var activeTool = toolInMenu(action.data);
13716
13761
  var correctTools = updateVisibleTools(state.visibleTools, activeTool);
13717
- return _objectSpread$12(_objectSpread$12({}, state), {}, {
13762
+ return _objectSpread$13(_objectSpread$13({}, state), {}, {
13718
13763
  opened: null,
13719
- visibleTools: _objectSpread$12({}, correctTools)
13764
+ visibleTools: _objectSpread$13({}, correctTools)
13720
13765
  });
13721
13766
  }
13722
13767
  case 'OPENED':
13723
13768
  {
13724
- return data.isSelected && state.opened ? _objectSpread$12(_objectSpread$12({}, state), {}, {
13769
+ return data.isSelected && state.opened ? _objectSpread$13(_objectSpread$13({}, state), {}, {
13725
13770
  opened: null
13726
- }) : _objectSpread$12(_objectSpread$12({}, state), {}, {
13771
+ }) : _objectSpread$13(_objectSpread$13({}, state), {}, {
13727
13772
  opened: data.menuName
13728
13773
  });
13729
13774
  }
13730
13775
  case 'UPDATE':
13731
- return _objectSpread$12(_objectSpread$12({}, state), {}, {
13776
+ return _objectSpread$13(_objectSpread$13({}, state), {}, {
13732
13777
  opened: null
13733
13778
  });
13734
13779
  case 'MODAL_OPEN':
13735
- return _objectSpread$12(_objectSpread$12({}, state), {}, {
13780
+ return _objectSpread$13(_objectSpread$13({}, state), {}, {
13736
13781
  opened: null
13737
13782
  });
13738
13783
  default:
@@ -13775,8 +13820,8 @@ function hiddenAncestor(el, base) {
13775
13820
  return findEl;
13776
13821
  }
13777
13822
 
13778
- function ownKeys$11(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
13779
- function _objectSpread$11(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$11(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$11(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
13823
+ function ownKeys$12(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
13824
+ function _objectSpread$12(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$12(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$12(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
13780
13825
  var initialState = {
13781
13826
  visible: false,
13782
13827
  rotateHandlePosition: {
@@ -13798,7 +13843,7 @@ var floatingToolsReducer = function floatingToolsReducer() {
13798
13843
  payload = _ref.payload;
13799
13844
  switch (type) {
13800
13845
  case 'UPDATE_FLOATING_TOOLS':
13801
- return _objectSpread$11(_objectSpread$11({}, state), payload);
13846
+ return _objectSpread$12(_objectSpread$12({}, state), payload);
13802
13847
  default:
13803
13848
  return state;
13804
13849
  }
@@ -13806,8 +13851,8 @@ var floatingToolsReducer = function floatingToolsReducer() {
13806
13851
 
13807
13852
  var _excluded$t = ["type"],
13808
13853
  _excluded2$5 = ["buttons"];
13809
- function ownKeys$10(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
13810
- function _objectSpread$10(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$10(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$10(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
13854
+ function ownKeys$11(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
13855
+ function _objectSpread$11(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$11(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$11(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
13811
13856
  var shared = redux.combineReducers({
13812
13857
  common: commonReducer,
13813
13858
  actionState: actionStateReducer,
@@ -13840,11 +13885,11 @@ function getRootReducer(setEditor) {
13840
13885
  {
13841
13886
  action.type;
13842
13887
  var data = _objectWithoutProperties__default["default"](action, _excluded$t);
13843
- if (data) state = _objectSpread$10(_objectSpread$10({}, state), data);
13888
+ if (data) state = _objectSpread$11(_objectSpread$11({}, state), data);
13844
13889
  }
13845
13890
  }
13846
- var sh = shared(state, _objectSpread$10(_objectSpread$10({}, action), fp.pick(['editor', 'server', 'options'], state)));
13847
- var finalState = sh === state.shared ? state : _objectSpread$10(_objectSpread$10({}, state), sh);
13891
+ var sh = shared(state, _objectSpread$11(_objectSpread$11({}, action), fp.pick(['editor', 'server', 'options'], state)));
13892
+ var finalState = sh === state.shared ? state : _objectSpread$11(_objectSpread$11({}, state), sh);
13848
13893
  global.currentState = finalState;
13849
13894
  return finalState;
13850
13895
  };
@@ -13933,8 +13978,8 @@ function useSettingsContext() {
13933
13978
  return React__default["default"].useContext(settingsContext);
13934
13979
  }
13935
13980
 
13936
- function ownKeys$$(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
13937
- function _objectSpread$$(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$$(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$$(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
13981
+ function ownKeys$10(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
13982
+ function _objectSpread$10(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$10(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$10(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
13938
13983
  var throttleMilliseconds = 100;
13939
13984
  function useThrottleResizeObserver() {
13940
13985
  var options = arguments.length > 0 && arguments[0] !== undefined ? arguments[0] : {};
@@ -13948,11 +13993,11 @@ function useThrottleResizeObserver() {
13948
13993
  var onResize = React.useMemo(function () {
13949
13994
  return _.throttle(setSize, throttleMilliseconds);
13950
13995
  }, []);
13951
- var _useResizeObserver = useResizeObserver__default["default"](_objectSpread$$({
13996
+ var _useResizeObserver = useResizeObserver__default["default"](_objectSpread$10({
13952
13997
  onResize: onResize
13953
13998
  }, options)),
13954
13999
  ref = _useResizeObserver.ref;
13955
- return _objectSpread$$({
14000
+ return _objectSpread$10({
13956
14001
  ref: ref
13957
14002
  }, size);
13958
14003
  }
@@ -14082,13 +14127,13 @@ var mediaSizes$2 = {
14082
14127
  };
14083
14128
 
14084
14129
  var _excluded$s = ["height"];
14085
- function ownKeys$_(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
14086
- function _objectSpread$_(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$_(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$_(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
14130
+ function ownKeys$$(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
14131
+ function _objectSpread$$(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$$(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$$(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
14087
14132
  var Bond$1 = function Bond(props) {
14088
14133
  var height = props.height,
14089
14134
  rest = _objectWithoutProperties__default["default"](props, _excluded$s);
14090
14135
  if (height && height <= mediaSizes$2.bondCollapsableHeight) {
14091
- return jsxRuntime.jsx(ToolbarMultiToolItem, _objectSpread$_({
14136
+ return jsxRuntime.jsx(ToolbarMultiToolItem, _objectSpread$$({
14092
14137
  id: "bonds",
14093
14138
  options: groupOptions,
14094
14139
  variant: "grouped",
@@ -14096,35 +14141,35 @@ var Bond$1 = function Bond(props) {
14096
14141
  }, rest));
14097
14142
  }
14098
14143
  return jsxRuntime.jsxs(jsxRuntime.Fragment, {
14099
- children: [jsxRuntime.jsx(ToolbarMultiToolItem, _objectSpread$_({
14144
+ children: [jsxRuntime.jsx(ToolbarMultiToolItem, _objectSpread$$({
14100
14145
  id: "bond-common",
14101
14146
  options: bondCommon
14102
- }, rest)), jsxRuntime.jsx(ToolbarMultiToolItem, _objectSpread$_({
14147
+ }, rest)), jsxRuntime.jsx(ToolbarMultiToolItem, _objectSpread$$({
14103
14148
  id: "bond-stereo",
14104
14149
  options: bondStereo
14105
- }, rest)), jsxRuntime.jsx(ToolbarMultiToolItem, _objectSpread$_({
14150
+ }, rest)), jsxRuntime.jsx(ToolbarMultiToolItem, _objectSpread$$({
14106
14151
  id: "bond-query",
14107
14152
  options: bondQuery
14108
- }, rest)), jsxRuntime.jsx(ToolbarMultiToolItem, _objectSpread$_({
14153
+ }, rest)), jsxRuntime.jsx(ToolbarMultiToolItem, _objectSpread$$({
14109
14154
  id: "bond-special",
14110
14155
  options: bondSpecial
14111
14156
  }, rest))]
14112
14157
  });
14113
14158
  };
14114
14159
 
14115
- function ownKeys$Z(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
14116
- function _objectSpread$Z(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$Z(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$Z(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
14160
+ function ownKeys$_(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
14161
+ function _objectSpread$_(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$_(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$_(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
14117
14162
  var RGroup$1 = function RGroup(props) {
14118
- return jsxRuntime.jsx(ToolbarGroupItem, _objectSpread$Z({
14163
+ return jsxRuntime.jsx(ToolbarGroupItem, _objectSpread$_({
14119
14164
  id: "rgroup",
14120
14165
  options: rGroupOptions
14121
14166
  }, props));
14122
14167
  };
14123
14168
 
14124
- function ownKeys$Y(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
14125
- function _objectSpread$Y(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$Y(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$Y(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
14169
+ function ownKeys$Z(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
14170
+ function _objectSpread$Z(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$Z(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$Z(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
14126
14171
  var Shape = function Shape(props) {
14127
- return jsxRuntime.jsx(ToolbarGroupItem, _objectSpread$Y({
14172
+ return jsxRuntime.jsx(ToolbarGroupItem, _objectSpread$Z({
14128
14173
  id: "shapes",
14129
14174
  options: shapeOptions
14130
14175
  }, props));
@@ -14133,8 +14178,8 @@ var Shape = function Shape(props) {
14133
14178
  var classes$L = {"button-common-styles":"LeftToolbar-module_button-common-styles__WgnON","scrollbar":"LeftToolbar-module_scrollbar__OBwid","group":"LeftToolbar-module_group__0s41t","root":"LeftToolbar-module_root__yhhZm","buttons":"LeftToolbar-module_buttons__lnIjn","borderOff":"LeftToolbar-module_borderOff__om425","groupItem":"LeftToolbar-module_groupItem__OqQu0"};
14134
14179
 
14135
14180
  var _excluded$r = ["className"];
14136
- function ownKeys$X(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
14137
- function _objectSpread$X(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$X(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$X(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
14181
+ function ownKeys$Y(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
14182
+ function _objectSpread$Y(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$Y(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$Y(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
14138
14183
  var LeftToolbar = function LeftToolbar(props) {
14139
14184
  var _scrollRef$current;
14140
14185
  var className = props.className,
@@ -14160,7 +14205,7 @@ var LeftToolbar = function LeftToolbar(props) {
14160
14205
  var id = _ref.id,
14161
14206
  options = _ref.options,
14162
14207
  dataTestId = _ref.dataTestId;
14163
- return ToolbarGroupItem(_objectSpread$X({
14208
+ return ToolbarGroupItem(_objectSpread$Y({
14164
14209
  id: id,
14165
14210
  options: options,
14166
14211
  dataTestId: dataTestId
@@ -14197,16 +14242,16 @@ var LeftToolbar = function LeftToolbar(props) {
14197
14242
  children: visibleItems.map(function (item) {
14198
14243
  switch (item.id) {
14199
14244
  case 'bond-common':
14200
- return React.createElement(Bond$1, _objectSpread$X(_objectSpread$X({}, rest), {}, {
14245
+ return React.createElement(Bond$1, _objectSpread$Y(_objectSpread$Y({}, rest), {}, {
14201
14246
  height: height,
14202
14247
  key: item.id
14203
14248
  }));
14204
14249
  case 'rgroup':
14205
- return React.createElement(RGroup$1, _objectSpread$X(_objectSpread$X({}, rest), {}, {
14250
+ return React.createElement(RGroup$1, _objectSpread$Y(_objectSpread$Y({}, rest), {}, {
14206
14251
  key: item.id
14207
14252
  }));
14208
14253
  case 'shapes':
14209
- return React.createElement(Shape, _objectSpread$X(_objectSpread$X({}, rest), {}, {
14254
+ return React.createElement(Shape, _objectSpread$Y(_objectSpread$Y({}, rest), {}, {
14210
14255
  key: item.id
14211
14256
  }));
14212
14257
  case 'bonds':
@@ -14334,14 +14379,14 @@ var LeftToolbarContainer = reactRedux.connect(mapStateToProps$k, mapDispatchToPr
14334
14379
  var classes$K = {"button-common-styles":"Atom-module_button-common-styles__j3EUJ","scrollbar":"Atom-module_scrollbar__iO-Ni","atom":"Atom-module_atom__g2RUu"};
14335
14380
 
14336
14381
  var _excluded$q = ["el", "shortcut", "selected"];
14337
- function ownKeys$W(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
14338
- function _objectSpread$W(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$W(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$W(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
14382
+ function ownKeys$X(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
14383
+ function _objectSpread$X(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$X(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$X(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
14339
14384
  function Atom$1(_ref) {
14340
14385
  var el = _ref.el,
14341
14386
  shortcut = _ref.shortcut,
14342
14387
  selected = _ref.selected,
14343
14388
  props = _objectWithoutProperties__default["default"](_ref, _excluded$q);
14344
- return jsxRuntime.jsx("button", _objectSpread$W(_objectSpread$W({
14389
+ return jsxRuntime.jsx("button", _objectSpread$X(_objectSpread$X({
14345
14390
  title: shortcut ? "".concat(el.title, " (").concat(shortcut, ")") : el.title,
14346
14391
  className: clsx__default["default"](classes$K.atom, {
14347
14392
  selected: selected
@@ -14369,7 +14414,7 @@ var AtomsList = React.forwardRef(function (props, ref) {
14369
14414
  ref: ref,
14370
14415
  children: atoms.map(function (label) {
14371
14416
  var element = ketcherCore.Elements.get(label);
14372
- var shortcut = atoms.indexOf(label) > -1 ? shortcutStr(atomCuts[label]) : null;
14417
+ var shortcut = atoms.indexOf(label) > -1 ? ketcherCore.shortcutStr(atomCuts[label]) : null;
14373
14418
  var isSelected = isAtom && active && active.opts.label === label;
14374
14419
  return jsxRuntime.jsx(StyledAtom, {
14375
14420
  el: element,
@@ -14402,8 +14447,8 @@ var HorizontalDivider = function HorizontalDivider() {
14402
14447
  };
14403
14448
 
14404
14449
  var _excluded$p = ["className"];
14405
- function ownKeys$V(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
14406
- function _objectSpread$V(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$V(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$V(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
14450
+ function ownKeys$W(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
14451
+ function _objectSpread$W(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$W(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$W(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
14407
14452
  var Group = function Group(_ref) {
14408
14453
  var children = _ref.children,
14409
14454
  className = _ref.className;
@@ -14469,7 +14514,7 @@ var RightToolbar = function RightToolbar(props) {
14469
14514
  atoms: freqAtoms,
14470
14515
  active: active,
14471
14516
  onAction: onAction
14472
- }), jsxRuntime.jsx(ToolbarGroupItem, _objectSpread$V({
14517
+ }), jsxRuntime.jsx(ToolbarGroupItem, _objectSpread$W({
14473
14518
  id: "period-table"
14474
14519
  }, rest))]
14475
14520
  })
@@ -14479,11 +14524,11 @@ var RightToolbar = function RightToolbar(props) {
14479
14524
  className: classes$J.groupItem,
14480
14525
  children: jsxRuntime.jsxs("div", {
14481
14526
  ref: sizeRef,
14482
- children: [jsxRuntime.jsx(ToolbarGroupItem, _objectSpread$V({
14527
+ children: [jsxRuntime.jsx(ToolbarGroupItem, _objectSpread$W({
14483
14528
  id: "any-atom"
14484
14529
  }, rest)), jsxRuntime.jsx("div", {
14485
14530
  className: classes$J.button,
14486
- children: jsxRuntime.jsx(ToolbarGroupItem, _objectSpread$V({
14531
+ children: jsxRuntime.jsx(ToolbarGroupItem, _objectSpread$W({
14487
14532
  id: "extended-table"
14488
14533
  }, rest))
14489
14534
  })]
@@ -14907,7 +14952,7 @@ var SystemControls = function SystemControls(_ref) {
14907
14952
  isHidden: hiddenButtons.includes('settings'),
14908
14953
  testId: "settings-button"
14909
14954
  }), jsxRuntime.jsx(TopToolbarIconButton, {
14910
- title: "Help (".concat(shortcutStr(['?', '&', 'Shift+/']), ")"),
14955
+ title: "Help (".concat(ketcherCore.shortcutStr(['?', '&', 'Shift+/']), ")"),
14911
14956
  onClick: onHelp,
14912
14957
  iconName: "help",
14913
14958
  disabled: disabledButtons.includes('help'),
@@ -15151,15 +15196,7 @@ var hiddenButtonsSelector = reselect.createSelector([getActionState], function (
15151
15196
  }, []);
15152
15197
  });
15153
15198
  var disableableButtons = ['layout', 'clean', 'arom', 'dearom', 'cip', 'enhanced-stereo'];
15154
- var shortcuts = Object.keys(config).reduce(function (acc, key) {
15155
- var _action$key;
15156
- if ((_action$key = config[key]) !== null && _action$key !== void 0 && _action$key.shortcut) {
15157
- var shortcut = config[key].shortcut;
15158
- var processedShortcut = shortcutStr(shortcut);
15159
- acc[key] = processedShortcut;
15160
- }
15161
- return acc;
15162
- }, {});
15199
+ var shortcuts = ketcherCore.generateMenuShortcuts(config);
15163
15200
  var mapStateToProps$i = function mapStateToProps(state) {
15164
15201
  var _state$actionState;
15165
15202
  return {
@@ -15349,8 +15386,8 @@ var selectAbbreviationLookupValue = function selectAbbreviationLookupValue(state
15349
15386
  return (_state$abbreviationLo = state.abbreviationLookup.lookupValue) !== null && _state$abbreviationLo !== void 0 ? _state$abbreviationLo : '';
15350
15387
  };
15351
15388
 
15352
- function ownKeys$U(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
15353
- function _objectSpread$U(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$U(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$U(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
15389
+ function ownKeys$V(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
15390
+ function _objectSpread$V(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$V(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$V(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
15354
15391
  var destinationVectorMapping = {
15355
15392
  ArrowUp: new ketcherCore.Vec2(0, -1),
15356
15393
  ArrowDown: new ketcherCore.Vec2(0, 1),
@@ -15375,7 +15412,7 @@ function moveSelectedItems(editor, key, isShiftPressed) {
15375
15412
  if (isClose) {
15376
15413
  var moveStep = isShiftPressed ? getFasterStep(destinationVectorInCanvas) : destinationVectorInCanvas;
15377
15414
  editor.render.setViewBox(function (prev) {
15378
- return _objectSpread$U(_objectSpread$U({}, prev), {}, {
15415
+ return _objectSpread$V(_objectSpread$V({}, prev), {}, {
15379
15416
  minX: prev.minX + moveStep.x,
15380
15417
  minY: prev.minY + moveStep.y
15381
15418
  });
@@ -16911,8 +16948,8 @@ var handleMovingPosibilityCursor = function handleMovingPosibilityCursor(item, c
16911
16948
  function _createForOfIteratorHelper$b(o, allowArrayLike) { var it = typeof Symbol !== "undefined" && o[Symbol.iterator] || o["@@iterator"]; if (!it) { if (Array.isArray(o) || (it = _unsupportedIterableToArray$b(o)) || allowArrayLike && o && typeof o.length === "number") { if (it) o = it; var i = 0; var F = function F() {}; return { s: F, n: function n() { if (i >= o.length) return { done: true }; return { done: false, value: o[i++] }; }, e: function e(_e) { throw _e; }, f: F }; } throw new TypeError("Invalid attempt to iterate non-iterable instance.\nIn order to be iterable, non-array objects must have a [Symbol.iterator]() method."); } var normalCompletion = true, didErr = false, err; return { s: function s() { it = it.call(o); }, n: function n() { var step = it.next(); normalCompletion = step.done; return step; }, e: function e(_e2) { didErr = true; err = _e2; }, f: function f() { try { if (!normalCompletion && it["return"] != null) it["return"](); } finally { if (didErr) throw err; } } }; }
16912
16949
  function _unsupportedIterableToArray$b(o, minLen) { if (!o) return; if (typeof o === "string") return _arrayLikeToArray$b(o, minLen); var n = Object.prototype.toString.call(o).slice(8, -1); if (n === "Object" && o.constructor) n = o.constructor.name; if (n === "Map" || n === "Set") return Array.from(o); if (n === "Arguments" || /^(?:Ui|I)nt(?:8|16|32)(?:Clamped)?Array$/.test(n)) return _arrayLikeToArray$b(o, minLen); }
16913
16950
  function _arrayLikeToArray$b(arr, len) { if (len == null || len > arr.length) len = arr.length; for (var i = 0, arr2 = new Array(len); i < len; i++) arr2[i] = arr[i]; return arr2; }
16914
- function ownKeys$T(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
16915
- function _objectSpread$T(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$T(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$T(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
16951
+ function ownKeys$U(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
16952
+ function _objectSpread$U(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$U(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$U(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
16916
16953
  function _classPrivateFieldInitSpec$1(obj, privateMap, value) { _checkPrivateRedeclaration$1(obj, privateMap); privateMap.set(obj, value); }
16917
16954
  function _checkPrivateRedeclaration$1(obj, privateCollection) { if (privateCollection.has(obj)) { throw new TypeError("Cannot initialize the same private elements twice on an object"); } }
16918
16955
  var Direction;
@@ -16959,7 +16996,7 @@ var SelectTool = function () {
16959
16996
  if (isBondingWithMacroMolecule(this.editor, event)) {
16960
16997
  return;
16961
16998
  }
16962
- var selected = _objectSpread$T(_objectSpread$T({}, (ci === null || ci === void 0 ? void 0 : ci.map) === 'atoms' && {
16999
+ var selected = _objectSpread$U(_objectSpread$U({}, (ci === null || ci === void 0 ? void 0 : ci.map) === 'atoms' && {
16963
17000
  atoms: [ci.id]
16964
17001
  }), (ci === null || ci === void 0 ? void 0 : ci.map) === 'bonds' && {
16965
17002
  bonds: [ci.id]
@@ -17210,7 +17247,7 @@ var SelectTool = function () {
17210
17247
  } else if (ci.map === 'texts') {
17211
17248
  editor.selection(closestToSel(ci));
17212
17249
  var text = molecule.texts.get(ci.id);
17213
- var dialog = editor.event.elementEdit.dispatch(_objectSpread$T(_objectSpread$T({}, text), {}, {
17250
+ var dialog = editor.event.elementEdit.dispatch(_objectSpread$U(_objectSpread$U({}, text), {}, {
17214
17251
  type: 'text'
17215
17252
  }));
17216
17253
  dialog.then(function (_ref) {
@@ -17330,28 +17367,28 @@ var SelectTool = function () {
17330
17367
  var render = this.editor.render;
17331
17368
  if (closeEdges.includes(Direction.RIGHT)) {
17332
17369
  render.setViewBox(function (prev) {
17333
- return _objectSpread$T(_objectSpread$T({}, prev), {}, {
17370
+ return _objectSpread$U(_objectSpread$U({}, prev), {}, {
17334
17371
  minX: prev.minX + MOVE_STEP
17335
17372
  });
17336
17373
  });
17337
17374
  }
17338
17375
  if (closeEdges.includes(Direction.LEFT)) {
17339
17376
  render.setViewBox(function (prev) {
17340
- return _objectSpread$T(_objectSpread$T({}, prev), {}, {
17377
+ return _objectSpread$U(_objectSpread$U({}, prev), {}, {
17341
17378
  minX: prev.minX - MOVE_STEP
17342
17379
  });
17343
17380
  });
17344
17381
  }
17345
17382
  if (closeEdges.includes(Direction.DOWN)) {
17346
17383
  render.setViewBox(function (prev) {
17347
- return _objectSpread$T(_objectSpread$T({}, prev), {}, {
17384
+ return _objectSpread$U(_objectSpread$U({}, prev), {}, {
17348
17385
  minY: prev.minY + MOVE_STEP
17349
17386
  });
17350
17387
  });
17351
17388
  }
17352
17389
  if (closeEdges.includes(Direction.TOP)) {
17353
17390
  render.setViewBox(function (prev) {
17354
- return _objectSpread$T(_objectSpread$T({}, prev), {}, {
17391
+ return _objectSpread$U(_objectSpread$U({}, prev), {}, {
17355
17392
  minY: prev.minY - MOVE_STEP
17356
17393
  });
17357
17394
  });
@@ -17452,8 +17489,8 @@ function getNewSelectedItems(editor, selectedSgroups) {
17452
17489
  return newSelected;
17453
17490
  }
17454
17491
 
17455
- function ownKeys$S(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
17456
- function _objectSpread$S(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$S(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$S(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
17492
+ function ownKeys$T(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
17493
+ function _objectSpread$T(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$T(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$T(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
17457
17494
  function handleHotkeyOverItem(props) {
17458
17495
  if (props.newAction.tool === 'eraser') {
17459
17496
  handleEraser(props);
@@ -17672,7 +17709,7 @@ function handleAtomTool(_ref10) {
17672
17709
  var hoveredItemId = _ref10.hoveredItemId,
17673
17710
  newAction = _ref10.newAction,
17674
17711
  editor = _ref10.editor;
17675
- var atomProps = _objectSpread$S({}, newAction.opts);
17712
+ var atomProps = _objectSpread$T({}, newAction.opts);
17676
17713
  var updatedAtoms = ketcherCore.fromAtomsAttrs(editor.render.ctab, hoveredItemId, atomProps, true);
17677
17714
  editor.update(updatedAtoms);
17678
17715
  }
@@ -17680,7 +17717,7 @@ function handleSgroupsTool(_ref11) {
17680
17717
  var hoveredItemId = _ref11.hoveredItemId,
17681
17718
  newAction = _ref11.newAction,
17682
17719
  editor = _ref11.editor;
17683
- var atomProps = _objectSpread$S({}, newAction.opts);
17720
+ var atomProps = _objectSpread$T({}, newAction.opts);
17684
17721
  var action = new ketcherCore.Action();
17685
17722
  var ctab = editor.render.ctab;
17686
17723
  var sGroup = ctab.molecule.sgroups.get(hoveredItemId);
@@ -18330,17 +18367,17 @@ var mediaSizes$1 = {
18330
18367
  smallHeight: 600
18331
18368
  };
18332
18369
 
18333
- var styles$e = {"container":"LoadingCircles-module_container__MPCs0","bounce":"LoadingCircles-module_bounce__gCepS"};
18370
+ var styles$f = {"container":"LoadingCircles-module_container__MPCs0","bounce":"LoadingCircles-module_bounce__gCepS"};
18334
18371
 
18335
18372
  var LoadingCircles = function LoadingCircles() {
18336
18373
  return jsxRuntime.jsxs("div", {
18337
- className: styles$e.container,
18374
+ className: styles$f.container,
18338
18375
  children: [jsxRuntime.jsx("span", {}), jsxRuntime.jsx("span", {}), jsxRuntime.jsx("span", {})]
18339
18376
  });
18340
18377
  };
18341
18378
 
18342
- function ownKeys$R(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
18343
- function _objectSpread$R(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$R(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$R(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
18379
+ function ownKeys$S(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
18380
+ function _objectSpread$S(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$S(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$S(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
18344
18381
  function _createForOfIteratorHelper$a(o, allowArrayLike) { var it = typeof Symbol !== "undefined" && o[Symbol.iterator] || o["@@iterator"]; if (!it) { if (Array.isArray(o) || (it = _unsupportedIterableToArray$a(o)) || allowArrayLike && o && typeof o.length === "number") { if (it) o = it; var i = 0; var F = function F() {}; return { s: F, n: function n() { if (i >= o.length) return { done: true }; return { done: false, value: o[i++] }; }, e: function e(_e) { throw _e; }, f: F }; } throw new TypeError("Invalid attempt to iterate non-iterable instance.\nIn order to be iterable, non-array objects must have a [Symbol.iterator]() method."); } var normalCompletion = true, didErr = false, err; return { s: function s() { it = it.call(o); }, n: function n() { var step = it.next(); normalCompletion = step.done; return step; }, e: function e(_e2) { didErr = true; err = _e2; }, f: function f() { try { if (!normalCompletion && it["return"] != null) it["return"](); } finally { if (didErr) throw err; } } }; }
18345
18382
  function _unsupportedIterableToArray$a(o, minLen) { if (!o) return; if (typeof o === "string") return _arrayLikeToArray$a(o, minLen); var n = Object.prototype.toString.call(o).slice(8, -1); if (n === "Object" && o.constructor) n = o.constructor.name; if (n === "Map" || n === "Set") return Array.from(o); if (n === "Arguments" || /^(?:Ui|I)nt(?:8|16|32)(?:Clamped)?Array$/.test(n)) return _arrayLikeToArray$a(o, minLen); }
18346
18383
  function _arrayLikeToArray$a(arr, len) { if (len == null || len > arr.length) len = arr.length; for (var i = 0, arr2 = new Array(len); i < len; i++) arr2[i] = arr[i]; return arr2; }
@@ -18719,7 +18756,7 @@ function findClosestItem(restruct, pos, maps, skip, options) {
18719
18756
  var minDist = res ? res.dist : null;
18720
18757
  var item = findMaps[mp](restruct, pos, skip, minDist, options);
18721
18758
  if (item !== null) {
18722
- var enrichedItem = _objectSpread$R({
18759
+ var enrichedItem = _objectSpread$S({
18723
18760
  map: mp
18724
18761
  }, item);
18725
18762
  if (mp === 'sgroupData') {
@@ -20003,8 +20040,8 @@ var EraserTool = function () {
20003
20040
  return EraserTool;
20004
20041
  }();
20005
20042
 
20006
- function ownKeys$Q(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
20007
- function _objectSpread$Q(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$Q(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$Q(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
20043
+ function ownKeys$R(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
20044
+ function _objectSpread$R(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$R(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$R(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
20008
20045
  var HandTool = function () {
20009
20046
  function HandTool(editor) {
20010
20047
  _classCallCheck__default["default"](this, HandTool);
@@ -20049,7 +20086,7 @@ var HandTool = function () {
20049
20086
  var diff = ketcherCore.Vec2.diff(this.endPos, this.begPos).scaled(1 / rnd.options.zoom);
20050
20087
  this.begPos = this.endPos;
20051
20088
  rnd.setViewBox(function (prev) {
20052
- return _objectSpread$Q(_objectSpread$Q({}, prev), {}, {
20089
+ return _objectSpread$R(_objectSpread$R({}, prev), {}, {
20053
20090
  minX: prev.minX - diff.x,
20054
20091
  minY: prev.minY - diff.y
20055
20092
  });
@@ -20092,8 +20129,8 @@ var HandTool = function () {
20092
20129
  return HandTool;
20093
20130
  }();
20094
20131
 
20095
- function ownKeys$P(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
20096
- function _objectSpread$P(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$P(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$P(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
20132
+ function ownKeys$Q(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
20133
+ function _objectSpread$Q(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$Q(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$Q(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
20097
20134
  var PasteTool = function () {
20098
20135
  function PasteTool(editor, struct) {
20099
20136
  var _struct$functionalGro;
@@ -20207,7 +20244,7 @@ var PasteTool = function () {
20207
20244
  }, {
20208
20245
  key: "mouseup",
20209
20246
  value: function mouseup() {
20210
- var idsOfItemsMerged = this.mergeItems && _objectSpread$P(_objectSpread$P({}, this.mergeItems.atoms && {
20247
+ var idsOfItemsMerged = this.mergeItems && _objectSpread$Q(_objectSpread$Q({}, this.mergeItems.atoms && {
20211
20248
  atoms: Array.from(this.mergeItems.atoms.values())
20212
20249
  }), this.mergeItems.bonds && {
20213
20250
  bonds: Array.from(this.mergeItems.bonds.values())
@@ -20875,8 +20912,8 @@ function normalizeAngle(angle) {
20875
20912
  return angleWithinFullCircle;
20876
20913
  }
20877
20914
 
20878
- function ownKeys$O(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
20879
- function _objectSpread$O(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$O(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$O(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
20915
+ function ownKeys$P(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
20916
+ function _objectSpread$P(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$P(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$P(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
20880
20917
  var SNAP_ANGLES_RELATIVE_TO_FIXED_BOND = [Math.PI / 2, -Math.PI / 2, 2 * Math.PI / 3, -(2 * Math.PI) / 3, Math.PI];
20881
20918
  var MAX_SNAP_DELTA = Math.PI / 18;
20882
20919
  var ANGLE_INDICATOR_VISIBLE_DELTA = Math.PI / 9;
@@ -20953,7 +20990,7 @@ var RotateTool = function () {
20953
20990
  get: function get() {
20954
20991
  var _this$snapInfo;
20955
20992
  if ((_this$snapInfo = this.snapInfo) !== null && _this$snapInfo !== void 0 && _this$snapInfo.snapAngleDrawingProps) {
20956
- return _objectSpread$O({
20993
+ return _objectSpread$P({
20957
20994
  snapMode: this.snapInfo.snapMode
20958
20995
  }, this.snapInfo.snapAngleDrawingProps);
20959
20996
  }
@@ -21473,8 +21510,8 @@ var TemplatePreview = function () {
21473
21510
  function _createForOfIteratorHelper$1(o, allowArrayLike) { var it = typeof Symbol !== "undefined" && o[Symbol.iterator] || o["@@iterator"]; if (!it) { if (Array.isArray(o) || (it = _unsupportedIterableToArray$1(o)) || allowArrayLike && o && typeof o.length === "number") { if (it) o = it; var i = 0; var F = function F() {}; return { s: F, n: function n() { if (i >= o.length) return { done: true }; return { done: false, value: o[i++] }; }, e: function e(_e) { throw _e; }, f: F }; } throw new TypeError("Invalid attempt to iterate non-iterable instance.\nIn order to be iterable, non-array objects must have a [Symbol.iterator]() method."); } var normalCompletion = true, didErr = false, err; return { s: function s() { it = it.call(o); }, n: function n() { var step = it.next(); normalCompletion = step.done; return step; }, e: function e(_e2) { didErr = true; err = _e2; }, f: function f() { try { if (!normalCompletion && it["return"] != null) it["return"](); } finally { if (didErr) throw err; } } }; }
21474
21511
  function _unsupportedIterableToArray$1(o, minLen) { if (!o) return; if (typeof o === "string") return _arrayLikeToArray$1(o, minLen); var n = Object.prototype.toString.call(o).slice(8, -1); if (n === "Object" && o.constructor) n = o.constructor.name; if (n === "Map" || n === "Set") return Array.from(o); if (n === "Arguments" || /^(?:Ui|I)nt(?:8|16|32)(?:Clamped)?Array$/.test(n)) return _arrayLikeToArray$1(o, minLen); }
21475
21512
  function _arrayLikeToArray$1(arr, len) { if (len == null || len > arr.length) len = arr.length; for (var i = 0, arr2 = new Array(len); i < len; i++) arr2[i] = arr[i]; return arr2; }
21476
- function ownKeys$N(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
21477
- function _objectSpread$N(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$N(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$N(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
21513
+ function ownKeys$O(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
21514
+ function _objectSpread$O(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$O(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$O(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
21478
21515
  function getBondFlipSign(struct, bond) {
21479
21516
  var _struct$atoms$get, _struct$halfBonds$get;
21480
21517
  var xy0 = new ketcherCore.Vec2();
@@ -21637,7 +21674,7 @@ var TemplateTool = function () {
21637
21674
  this.event = event;
21638
21675
  (_this$templatePreview = this.templatePreview) === null || _this$templatePreview === void 0 || _this$templatePreview.hidePreview();
21639
21676
  if (this.functionalGroups.size) {
21640
- this.targetGroupsIds = getGroupIdsFromItemArrays(this.struct, _objectSpread$N(_objectSpread$N({}, ((_this$closestItem2 = this.closestItem) === null || _this$closestItem2 === void 0 ? void 0 : _this$closestItem2.map) === 'atoms' && {
21677
+ this.targetGroupsIds = getGroupIdsFromItemArrays(this.struct, _objectSpread$O(_objectSpread$O({}, ((_this$closestItem2 = this.closestItem) === null || _this$closestItem2 === void 0 ? void 0 : _this$closestItem2.map) === 'atoms' && {
21641
21678
  atoms: [this.closestItem.id]
21642
21679
  }), ((_this$closestItem3 = this.closestItem) === null || _this$closestItem3 === void 0 ? void 0 : _this$closestItem3.map) === 'bonds' && {
21643
21680
  bonds: [this.closestItem.id]
@@ -22971,8 +23008,8 @@ var RotateController = function () {
22971
23008
  return RotateController;
22972
23009
  }();
22973
23010
 
22974
- function ownKeys$M(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
22975
- function _objectSpread$M(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$M(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$M(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
23011
+ function ownKeys$N(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
23012
+ function _objectSpread$N(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$N(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$N(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
22976
23013
  function _classPrivateFieldInitSpec(obj, privateMap, value) { _checkPrivateRedeclaration(obj, privateMap); privateMap.set(obj, value); }
22977
23014
  function _checkPrivateRedeclaration(obj, privateCollection) { if (privateCollection.has(obj)) { throw new TypeError("Cannot initialize the same private elements twice on an object"); } }
22978
23015
  var SCALE = 40;
@@ -23127,7 +23164,7 @@ var Editor$3 = function () {
23127
23164
  key: "setOptions",
23128
23165
  value: function setOptions(opts) {
23129
23166
  var options = JSON.parse(opts);
23130
- this.event.apiSettings.dispatch(_objectSpread$M({}, options));
23167
+ this.event.apiSettings.dispatch(_objectSpread$N({}, options));
23131
23168
  return this.render.updateOptions(opts);
23132
23169
  }
23133
23170
  }, {
@@ -23647,7 +23684,7 @@ var Cursor = function Cursor(_ref) {
23647
23684
  });
23648
23685
  };
23649
23686
 
23650
- var styles$d = {"button-common-styles":"ContextMenu-module_button-common-styles__pshYr","scrollbar":"ContextMenu-module_scrollbar__fCla5","contextMenu":"ContextMenu-module_contextMenu__oqyL-","icon":"ContextMenu-module_icon__KhXEk","sameGroup":"ContextMenu-module_sameGroup__0DPIX","devider":"ContextMenu-module_devider__-K9Bc","subMenu":"ContextMenu-module_subMenu__87kBE"};
23687
+ var styles$e = {"button-common-styles":"ContextMenu-module_button-common-styles__pshYr","scrollbar":"ContextMenu-module_scrollbar__fCla5","contextMenu":"ContextMenu-module_contextMenu__oqyL-","icon":"ContextMenu-module_icon__KhXEk","sameGroup":"ContextMenu-module_sameGroup__0DPIX","devider":"ContextMenu-module_devider__-K9Bc","subMenu":"ContextMenu-module_subMenu__87kBE"};
23651
23688
 
23652
23689
  var CONTEXT_MENU_ID;
23653
23690
  (function (CONTEXT_MENU_ID) {
@@ -23845,8 +23882,8 @@ function ButtonGroup(_ref) {
23845
23882
  });
23846
23883
  }
23847
23884
 
23848
- function ownKeys$L(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
23849
- function _objectSpread$L(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$L(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$L(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
23885
+ function ownKeys$M(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
23886
+ function _objectSpread$M(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$M(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$M(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
23850
23887
  var _atom$properties = atom.properties,
23851
23888
  ringBondCount = _atom$properties.ringBondCount,
23852
23889
  hCount = _atom$properties.hCount,
@@ -23947,20 +23984,20 @@ var AtomMenuItems = function AtomMenuItems(props) {
23947
23984
  atoms: atomIds,
23948
23985
  editor: editor,
23949
23986
  changeAtomPromise: Promise.resolve(properties.includes(key) ? {
23950
- queryProperties: _objectSpread$L(_objectSpread$L({}, getPropertyValue('queryProperties')), {}, _defineProperty__default["default"]({}, key, value))
23987
+ queryProperties: _objectSpread$M(_objectSpread$M({}, getPropertyValue('queryProperties')), {}, _defineProperty__default["default"]({}, key, value))
23951
23988
  } : _defineProperty__default["default"]({}, key, value))
23952
23989
  });
23953
23990
  }
23954
23991
  };
23955
23992
  return jsxRuntime.jsxs(jsxRuntime.Fragment, {
23956
- children: [jsxRuntime.jsx(reactContexify.Item, _objectSpread$L(_objectSpread$L({}, props), {}, {
23993
+ children: [jsxRuntime.jsx(reactContexify.Item, _objectSpread$M(_objectSpread$M({}, props), {}, {
23957
23994
  onClick: handleEdit,
23958
23995
  children: (_props$propsFromTrigg4 = props.propsFromTrigger) !== null && _props$propsFromTrigg4 !== void 0 && _props$propsFromTrigg4.extraItemsSelected ? 'Edit selected atoms...' : 'Edit...'
23959
- })), jsxRuntime.jsx(reactContexify.Item, _objectSpread$L(_objectSpread$L({}, props), {}, {
23996
+ })), jsxRuntime.jsx(reactContexify.Item, _objectSpread$M(_objectSpread$M({}, props), {}, {
23960
23997
  disabled: stereoDisabled,
23961
23998
  onClick: handleStereo,
23962
23999
  children: "Enhanced stereochemistry..."
23963
- })), jsxRuntime.jsx(reactContexify.Submenu, _objectSpread$L(_objectSpread$L({}, props), {}, {
24000
+ })), jsxRuntime.jsx(reactContexify.Submenu, _objectSpread$M(_objectSpread$M({}, props), {}, {
23964
24001
  label: "Query properties",
23965
24002
  style: {
23966
24003
  overflow: 'visible'
@@ -23969,10 +24006,10 @@ var AtomMenuItems = function AtomMenuItems(props) {
23969
24006
  var title = _ref2.title,
23970
24007
  buttons = _ref2.buttons,
23971
24008
  key = _ref2.key;
23972
- return React.createElement(reactContexify.Submenu, _objectSpread$L(_objectSpread$L({}, props), {}, {
24009
+ return React.createElement(reactContexify.Submenu, _objectSpread$M(_objectSpread$M({}, props), {}, {
23973
24010
  label: title,
23974
24011
  key: key,
23975
- className: styles$d.sameGroup
24012
+ className: styles$e.sameGroup
23976
24013
  }), jsxRuntime.jsx(ButtonGroup, {
23977
24014
  buttons: buttons,
23978
24015
  defaultValue: getPropertyValue(key),
@@ -23981,7 +24018,7 @@ var AtomMenuItems = function AtomMenuItems(props) {
23981
24018
  }
23982
24019
  }));
23983
24020
  })
23984
- })), jsxRuntime.jsx(reactContexify.Item, _objectSpread$L(_objectSpread$L({}, props), {}, {
24021
+ })), jsxRuntime.jsx(reactContexify.Item, _objectSpread$M(_objectSpread$M({}, props), {}, {
23985
24022
  onClick: handleDelete,
23986
24023
  children: "Delete"
23987
24024
  }))]
@@ -24127,8 +24164,8 @@ var useBondTypeChange = function useBondTypeChange() {
24127
24164
  return [handler, disabled];
24128
24165
  };
24129
24166
 
24130
- function ownKeys$K(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
24131
- function _objectSpread$K(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$K(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$K(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
24167
+ function ownKeys$L(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
24168
+ function _objectSpread$L(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$L(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$L(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
24132
24169
  var nonQueryBondNames = getNonQueryBondNames(tools);
24133
24170
  var BondMenuItems = function BondMenuItems(props) {
24134
24171
  var _props$propsFromTrigg;
@@ -24150,13 +24187,13 @@ var BondMenuItems = function BondMenuItems(props) {
24150
24187
  var handleDelete = useDelete$1();
24151
24188
  var bondNamesWithoutEmptyValue = nonQueryBondNames.slice(1);
24152
24189
  return jsxRuntime.jsxs(jsxRuntime.Fragment, {
24153
- children: [jsxRuntime.jsx(reactContexify.Item, _objectSpread$K(_objectSpread$K({}, props), {}, {
24190
+ children: [jsxRuntime.jsx(reactContexify.Item, _objectSpread$L(_objectSpread$L({}, props), {}, {
24154
24191
  onClick: handleEdit,
24155
24192
  children: (_props$propsFromTrigg = props.propsFromTrigger) !== null && _props$propsFromTrigg !== void 0 && _props$propsFromTrigg.extraItemsSelected ? 'Edit selected bonds...' : 'Edit...'
24156
24193
  })), bondNamesWithoutEmptyValue.map(function (name, i) {
24157
24194
  var iconName = getIconName(name);
24158
- var classNames = styles$d.sameGroup + (i === bondNamesWithoutEmptyValue.length - 1 ? styles$d.devider : '');
24159
- return React.createElement(reactContexify.Item, _objectSpread$K(_objectSpread$K({
24195
+ var classNames = styles$e.sameGroup + (i === bondNamesWithoutEmptyValue.length - 1 ? styles$e.devider : '');
24196
+ return React.createElement(reactContexify.Item, _objectSpread$L(_objectSpread$L({
24160
24197
  className: classNames
24161
24198
  }, props), {}, {
24162
24199
  id: name,
@@ -24164,37 +24201,37 @@ var BondMenuItems = function BondMenuItems(props) {
24164
24201
  key: name
24165
24202
  }), iconName && jsxRuntime.jsx(Icon, {
24166
24203
  name: iconName,
24167
- className: styles$d.icon
24204
+ className: styles$e.icon
24168
24205
  }), jsxRuntime.jsx("span", {
24169
24206
  children: formatTitle(tools[name].title)
24170
24207
  }));
24171
- }), jsxRuntime.jsx(reactContexify.Submenu, _objectSpread$K(_objectSpread$K({}, props), {}, {
24208
+ }), jsxRuntime.jsx(reactContexify.Submenu, _objectSpread$L(_objectSpread$L({}, props), {}, {
24172
24209
  label: "Query bonds",
24173
- className: styles$d.subMenu,
24210
+ className: styles$e.subMenu,
24174
24211
  children: queryBondNames.map(function (name) {
24175
24212
  var iconName = getIconName(name);
24176
24213
  return jsxRuntime.jsxs(reactContexify.Item, {
24177
- className: styles$d.sameGroup,
24214
+ className: styles$e.sameGroup,
24178
24215
  id: name,
24179
24216
  onClick: handleTypeChange,
24180
24217
  children: [iconName && jsxRuntime.jsx(Icon, {
24181
24218
  name: iconName,
24182
- className: styles$d.icon
24219
+ className: styles$e.icon
24183
24220
  }), jsxRuntime.jsx("span", {
24184
24221
  children: formatTitle(tools[name].title)
24185
24222
  })]
24186
24223
  }, name);
24187
24224
  })
24188
- })), jsxRuntime.jsx(reactContexify.Item, _objectSpread$K(_objectSpread$K({}, props), {}, {
24225
+ })), jsxRuntime.jsx(reactContexify.Item, _objectSpread$L(_objectSpread$L({}, props), {}, {
24189
24226
  hidden: sGroupAttachHidden,
24190
24227
  onClick: handleSGroupAttach,
24191
24228
  children: "Attach S-Group..."
24192
- })), jsxRuntime.jsx(reactContexify.Item, _objectSpread$K(_objectSpread$K({}, props), {}, {
24229
+ })), jsxRuntime.jsx(reactContexify.Item, _objectSpread$L(_objectSpread$L({}, props), {}, {
24193
24230
  hidden: sGroupEditHidden,
24194
24231
  disabled: sGroupEditDisabled,
24195
24232
  onClick: handleSGroupEdit,
24196
24233
  children: "Edit S-Group..."
24197
- })), jsxRuntime.jsx(reactContexify.Item, _objectSpread$K(_objectSpread$K({}, props), {}, {
24234
+ })), jsxRuntime.jsx(reactContexify.Item, _objectSpread$L(_objectSpread$L({}, props), {}, {
24198
24235
  onClick: handleDelete,
24199
24236
  children: "Delete"
24200
24237
  }))]
@@ -24263,8 +24300,8 @@ var useFunctionalGroupRemove = function useFunctionalGroupRemove() {
24263
24300
  return handler;
24264
24301
  };
24265
24302
 
24266
- function ownKeys$J(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
24267
- function _objectSpread$J(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$J(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$J(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
24303
+ function ownKeys$K(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
24304
+ function _objectSpread$K(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$K(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$K(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
24268
24305
  var FunctionalGroupMenuItems = function FunctionalGroupMenuItems(props) {
24269
24306
  var _useFunctionalGroupEo = useFunctionalGroupEoc(),
24270
24307
  _useFunctionalGroupEo2 = _slicedToArray__default["default"](_useFunctionalGroupEo, 3),
@@ -24273,7 +24310,7 @@ var FunctionalGroupMenuItems = function FunctionalGroupMenuItems(props) {
24273
24310
  ExpandOrContractDisabled = _useFunctionalGroupEo2[2];
24274
24311
  var handleRemove = useFunctionalGroupRemove();
24275
24312
  return jsxRuntime.jsxs(jsxRuntime.Fragment, {
24276
- children: [jsxRuntime.jsx(reactContexify.Item, _objectSpread$J(_objectSpread$J({}, props), {}, {
24313
+ children: [jsxRuntime.jsx(reactContexify.Item, _objectSpread$K(_objectSpread$K({}, props), {}, {
24277
24314
  disabled: function disabled(params) {
24278
24315
  return ExpandOrContractDisabled(params);
24279
24316
  },
@@ -24284,7 +24321,7 @@ var FunctionalGroupMenuItems = function FunctionalGroupMenuItems(props) {
24284
24321
  return handleExpandOrContract(params, true);
24285
24322
  },
24286
24323
  children: "Expand Abbreviation"
24287
- })), jsxRuntime.jsx(reactContexify.Item, _objectSpread$J(_objectSpread$J({}, props), {}, {
24324
+ })), jsxRuntime.jsx(reactContexify.Item, _objectSpread$K(_objectSpread$K({}, props), {}, {
24288
24325
  disabled: function disabled(params) {
24289
24326
  return ExpandOrContractDisabled(params);
24290
24327
  },
@@ -24295,15 +24332,15 @@ var FunctionalGroupMenuItems = function FunctionalGroupMenuItems(props) {
24295
24332
  return handleExpandOrContract(params, false);
24296
24333
  },
24297
24334
  children: "Contract Abbreviation"
24298
- })), jsxRuntime.jsx(reactContexify.Item, _objectSpread$J(_objectSpread$J({}, props), {}, {
24335
+ })), jsxRuntime.jsx(reactContexify.Item, _objectSpread$K(_objectSpread$K({}, props), {}, {
24299
24336
  onClick: handleRemove,
24300
24337
  children: "Remove Abbreviation"
24301
24338
  }))]
24302
24339
  });
24303
24340
  };
24304
24341
 
24305
- function ownKeys$I(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
24306
- function _objectSpread$I(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$I(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$I(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
24342
+ function ownKeys$J(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
24343
+ function _objectSpread$J(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$J(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$J(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
24307
24344
  var bondNames = getBondNames(tools);
24308
24345
  var SelectionMenuItems = function SelectionMenuItems(props) {
24309
24346
  var _useBondEdit = useBondEdit(),
@@ -24324,18 +24361,18 @@ var SelectionMenuItems = function SelectionMenuItems(props) {
24324
24361
  atomStereoDisabled = _useAtomStereo2[1];
24325
24362
  var handleDelete = useDelete$1();
24326
24363
  return jsxRuntime.jsxs(jsxRuntime.Fragment, {
24327
- children: [jsxRuntime.jsx(reactContexify.Item, _objectSpread$I(_objectSpread$I({}, props), {}, {
24364
+ children: [jsxRuntime.jsx(reactContexify.Item, _objectSpread$J(_objectSpread$J({}, props), {}, {
24328
24365
  disabled: bondEditDisabled,
24329
24366
  onClick: handleBondEdit,
24330
24367
  children: "Edit selected bonds..."
24331
- })), jsxRuntime.jsx(reactContexify.Item, _objectSpread$I(_objectSpread$I({}, props), {}, {
24368
+ })), jsxRuntime.jsx(reactContexify.Item, _objectSpread$J(_objectSpread$J({}, props), {}, {
24332
24369
  disabled: atomEditDisabled,
24333
24370
  onClick: handleAtomEdit,
24334
24371
  children: "Edit selected atoms..."
24335
- })), jsxRuntime.jsx(reactContexify.Submenu, _objectSpread$I(_objectSpread$I({}, props), {}, {
24372
+ })), jsxRuntime.jsx(reactContexify.Submenu, _objectSpread$J(_objectSpread$J({}, props), {}, {
24336
24373
  label: "Bond type",
24337
24374
  disabled: bondTypeChangeDisabled,
24338
- className: styles$d.subMenu,
24375
+ className: styles$e.subMenu,
24339
24376
  children: bondNames.map(function (name) {
24340
24377
  var iconName = getIconName(name);
24341
24378
  return jsxRuntime.jsxs(reactContexify.Item, {
@@ -24343,17 +24380,17 @@ var SelectionMenuItems = function SelectionMenuItems(props) {
24343
24380
  onClick: handleTypeChange,
24344
24381
  children: [iconName && jsxRuntime.jsx(Icon, {
24345
24382
  name: iconName,
24346
- className: styles$d.icon
24383
+ className: styles$e.icon
24347
24384
  }), jsxRuntime.jsx("span", {
24348
24385
  children: formatTitle(tools[name].title)
24349
24386
  })]
24350
24387
  }, name);
24351
24388
  })
24352
- })), jsxRuntime.jsx(reactContexify.Item, _objectSpread$I(_objectSpread$I({}, props), {}, {
24389
+ })), jsxRuntime.jsx(reactContexify.Item, _objectSpread$J(_objectSpread$J({}, props), {}, {
24353
24390
  disabled: atomStereoDisabled,
24354
24391
  onClick: handleAtomStereo,
24355
24392
  children: "Enhanced stereochemistry..."
24356
- })), jsxRuntime.jsx(reactContexify.Item, _objectSpread$I(_objectSpread$I({}, props), {}, {
24393
+ })), jsxRuntime.jsx(reactContexify.Item, _objectSpread$J(_objectSpread$J({}, props), {}, {
24357
24394
  onClick: handleDelete,
24358
24395
  children: "Delete"
24359
24396
  }))]
@@ -24436,8 +24473,8 @@ var useRGroupAttachmentPointEdit = function useRGroupAttachmentPointEdit() {
24436
24473
  return [handler, disabled, hidden];
24437
24474
  };
24438
24475
 
24439
- function ownKeys$H(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
24440
- function _objectSpread$H(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$H(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$H(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
24476
+ function ownKeys$I(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
24477
+ function _objectSpread$I(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$I(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$I(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
24441
24478
  var RGroupAttachmentPointMenuItems = function RGroupAttachmentPointMenuItems(props) {
24442
24479
  var handleRemove = useDelete();
24443
24480
  var _useRGroupAttachmentP = useRGroupAttachmentPointEdit(),
@@ -24446,23 +24483,23 @@ var RGroupAttachmentPointMenuItems = function RGroupAttachmentPointMenuItems(pro
24446
24483
  rgroupAttachmentPointDisabled = _useRGroupAttachmentP2[1],
24447
24484
  rgroupAttachmentPointHidden = _useRGroupAttachmentP2[2];
24448
24485
  return jsxRuntime.jsxs(jsxRuntime.Fragment, {
24449
- children: [jsxRuntime.jsx(reactContexify.Item, _objectSpread$H(_objectSpread$H({}, props), {}, {
24486
+ children: [jsxRuntime.jsx(reactContexify.Item, _objectSpread$I(_objectSpread$I({}, props), {}, {
24450
24487
  disabled: rgroupAttachmentPointDisabled,
24451
24488
  hidden: rgroupAttachmentPointHidden,
24452
24489
  onClick: handleEditRGroupAttachmentPoint,
24453
24490
  children: "Edit..."
24454
- })), jsxRuntime.jsx(reactContexify.Item, _objectSpread$H(_objectSpread$H({}, props), {}, {
24491
+ })), jsxRuntime.jsx(reactContexify.Item, _objectSpread$I(_objectSpread$I({}, props), {}, {
24455
24492
  onClick: handleRemove,
24456
24493
  children: "Remove"
24457
24494
  }))]
24458
24495
  });
24459
24496
  };
24460
24497
 
24461
- function ownKeys$G(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
24462
- function _objectSpread$G(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$G(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$G(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
24498
+ function ownKeys$H(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
24499
+ function _objectSpread$H(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$H(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$H(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
24463
24500
  var props = {
24464
24501
  animation: false,
24465
- className: styles$d.contextMenu
24502
+ className: styles$e.contextMenu
24466
24503
  };
24467
24504
  var ContextMenu = function ContextMenu() {
24468
24505
  var _useAppContext = useAppContext(),
@@ -24475,31 +24512,31 @@ var ContextMenu = function ContextMenu() {
24475
24512
  editor.contextMenu[id] = visible;
24476
24513
  }, [getKetcherInstance]);
24477
24514
  return jsxRuntime.jsxs(jsxRuntime.Fragment, {
24478
- children: [jsxRuntime.jsx(reactContexify.Menu, _objectSpread$G(_objectSpread$G({}, props), {}, {
24515
+ children: [jsxRuntime.jsx(reactContexify.Menu, _objectSpread$H(_objectSpread$H({}, props), {}, {
24479
24516
  id: CONTEXT_MENU_ID.FOR_BONDS,
24480
24517
  onVisibilityChange: function onVisibilityChange(visible) {
24481
24518
  return trackVisibility(CONTEXT_MENU_ID.FOR_BONDS, visible);
24482
24519
  },
24483
24520
  children: jsxRuntime.jsx(BondMenuItems, {})
24484
- })), jsxRuntime.jsx(reactContexify.Menu, _objectSpread$G(_objectSpread$G({}, props), {}, {
24521
+ })), jsxRuntime.jsx(reactContexify.Menu, _objectSpread$H(_objectSpread$H({}, props), {}, {
24485
24522
  id: CONTEXT_MENU_ID.FOR_ATOMS,
24486
24523
  onVisibilityChange: function onVisibilityChange(visible) {
24487
24524
  return trackVisibility(CONTEXT_MENU_ID.FOR_ATOMS, visible);
24488
24525
  },
24489
24526
  children: jsxRuntime.jsx(AtomMenuItems, {})
24490
- })), jsxRuntime.jsx(reactContexify.Menu, _objectSpread$G(_objectSpread$G({}, props), {}, {
24527
+ })), jsxRuntime.jsx(reactContexify.Menu, _objectSpread$H(_objectSpread$H({}, props), {}, {
24491
24528
  id: CONTEXT_MENU_ID.FOR_SELECTION,
24492
24529
  onVisibilityChange: function onVisibilityChange(visible) {
24493
24530
  return trackVisibility(CONTEXT_MENU_ID.FOR_SELECTION, visible);
24494
24531
  },
24495
24532
  children: jsxRuntime.jsx(SelectionMenuItems, {})
24496
- })), jsxRuntime.jsx(reactContexify.Menu, _objectSpread$G(_objectSpread$G({}, props), {}, {
24533
+ })), jsxRuntime.jsx(reactContexify.Menu, _objectSpread$H(_objectSpread$H({}, props), {}, {
24497
24534
  id: CONTEXT_MENU_ID.FOR_FUNCTIONAL_GROUPS,
24498
24535
  onVisibilityChange: function onVisibilityChange(visible) {
24499
24536
  return trackVisibility(CONTEXT_MENU_ID.FOR_FUNCTIONAL_GROUPS, visible);
24500
24537
  },
24501
24538
  children: jsxRuntime.jsx(FunctionalGroupMenuItems, {})
24502
- })), jsxRuntime.jsx(reactContexify.Menu, _objectSpread$G(_objectSpread$G({}, props), {}, {
24539
+ })), jsxRuntime.jsx(reactContexify.Menu, _objectSpread$H(_objectSpread$H({}, props), {}, {
24503
24540
  id: CONTEXT_MENU_ID.FOR_R_GROUP_ATTACHMENT_POINT,
24504
24541
  onVisibilityChange: function onVisibilityChange(visible) {
24505
24542
  return trackVisibility(CONTEXT_MENU_ID.FOR_R_GROUP_ATTACHMENT_POINT, visible);
@@ -24824,8 +24861,8 @@ var functionGroupInfoSelector = function functionGroupInfoSelector(state) {
24824
24861
  return state.functionalGroups.functionalGroupInfo;
24825
24862
  };
24826
24863
 
24827
- function ownKeys$F(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
24828
- function _objectSpread$F(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$F(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$F(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
24864
+ function ownKeys$G(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
24865
+ function _objectSpread$G(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$G(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$G(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
24829
24866
  var HOVER_PANEL_PADDING$1 = 20;
24830
24867
  var MAX_INFO_PANEL_SIZE = 200;
24831
24868
  function getPanelPosition$1(clientX, clientY, render, sGroup) {
@@ -24910,7 +24947,7 @@ var InfoPanel = function InfoPanel(props) {
24910
24947
  className: clsx__default["default"](classes$E.infoPanel, className),
24911
24948
  children: jsxRuntime.jsx(StructRender, {
24912
24949
  struct: molecule,
24913
- options: _objectSpread$F(_objectSpread$F({}, render.options), {}, {
24950
+ options: _objectSpread$G(_objectSpread$G({}, render.options), {}, {
24914
24951
  downScale: true,
24915
24952
  cachePrefix: 'infoPanel',
24916
24953
  needCache: false,
@@ -25029,8 +25066,8 @@ var InfoTooltip$1 = reactRedux.connect(function (store) {
25029
25066
  })(InfoTooltip);
25030
25067
 
25031
25068
  var _excluded$o = ["Tag", "className", "indigoVerification", "struct", "tool", "toolOpts", "options", "onInit", "onSelectionChange", "onElementEdit", "onEnhancedStereoEdit", "onQuickEdit", "onBondEdit", "onZoomIn", "onZoomOut", "onRgroupEdit", "onSgroupEdit", "onRemoveFG", "onMessage", "onAromatizeStruct", "onDearomatizeStruct", "onAttachEdit", "onCipChange", "onConfirm", "onShowInfo", "onApiSettings", "showAttachmentPoints", "onUpdateFloatingTools", "onShowMacromoleculesErrorMessage"];
25032
- function ownKeys$E(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
25033
- function _objectSpread$E(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$E(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$E(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
25069
+ function ownKeys$F(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
25070
+ function _objectSpread$F(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$F(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$F(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
25034
25071
  function _callSuper$9(t, o, e) { return o = _getPrototypeOf__default["default"](o), _possibleConstructorReturn__default["default"](t, _isNativeReflectConstruct$9() ? Reflect.construct(o, e || [], _getPrototypeOf__default["default"](t).constructor) : o.apply(t, e)); }
25035
25072
  function _isNativeReflectConstruct$9() { try { var t = !Boolean.prototype.valueOf.call(Reflect.construct(Boolean, [], function () {})); } catch (t) {} return (_isNativeReflectConstruct$9 = function _isNativeReflectConstruct() { return !!t; })(); }
25036
25073
  function setupEditor(editor, props) {
@@ -25114,7 +25151,7 @@ var StructEditor = function (_Component) {
25114
25151
  value: function handleHorizontalScroll(event) {
25115
25152
  var _this2 = this;
25116
25153
  this.editor.render.setViewBox(function (prev) {
25117
- return _objectSpread$E(_objectSpread$E({}, prev), {}, {
25154
+ return _objectSpread$F(_objectSpread$F({}, prev), {}, {
25118
25155
  minX: prev.minX - getSmoothScrollDelta(event.wheelDelta, _this2.editor.zoom())
25119
25156
  });
25120
25157
  });
@@ -25124,7 +25161,7 @@ var StructEditor = function (_Component) {
25124
25161
  value: function handleScroll(event) {
25125
25162
  var _this3 = this;
25126
25163
  this.editor.render.setViewBox(function (prev) {
25127
- return _objectSpread$E(_objectSpread$E({}, prev), {}, {
25164
+ return _objectSpread$F(_objectSpread$F({}, prev), {}, {
25128
25165
  minX: prev.minX + getSmoothScrollDelta(event.deltaX, _this3.editor.zoom()),
25129
25166
  minY: prev.minY + getSmoothScrollDelta(event.deltaY, _this3.editor.zoom())
25130
25167
  });
@@ -25144,7 +25181,7 @@ var StructEditor = function (_Component) {
25144
25181
  key: "componentDidMount",
25145
25182
  value: function componentDidMount() {
25146
25183
  var _this4 = this;
25147
- this.editor = new Editor$3(this.editorRef.current, _objectSpread$E({}, this.props.options));
25184
+ this.editor = new Editor$3(this.editorRef.current, _objectSpread$F({}, this.props.options));
25148
25185
  var ketcher = ketcherCore.ketcherProvider.getKetcher();
25149
25186
  if (ketcher !== null && ketcher !== void 0 && ketcher.editor.macromoleculeConvertionError) {
25150
25187
  this.props.onShowMacromoleculesErrorMessage(ketcher.editor.macromoleculeConvertionError);
@@ -25277,7 +25314,7 @@ var StructEditor = function (_Component) {
25277
25314
  clientX = _this$state$clientX === void 0 ? 0 : _this$state$clientX,
25278
25315
  _this$state$clientY = _this$state.clientY,
25279
25316
  clientY = _this$state$clientY === void 0 ? 0 : _this$state$clientY;
25280
- return jsxRuntime.jsxs(Tag, _objectSpread$E(_objectSpread$E({
25317
+ return jsxRuntime.jsxs(Tag, _objectSpread$F(_objectSpread$F({
25281
25318
  className: clsx__default["default"](classes$G.canvas, className)
25282
25319
  }, props), {}, {
25283
25320
  "data-testid": "ketcher-canvas",
@@ -25509,8 +25546,8 @@ var _excluded$n = ["schema", "value", "onChange", "innerRef", "type", "isFocused
25509
25546
  _excluded7$1 = ["children", "onChange", "innerRef"];
25510
25547
  function _callSuper$8(t, o, e) { return o = _getPrototypeOf__default["default"](o), _possibleConstructorReturn__default["default"](t, _isNativeReflectConstruct$8() ? Reflect.construct(o, e || [], _getPrototypeOf__default["default"](t).constructor) : o.apply(t, e)); }
25511
25548
  function _isNativeReflectConstruct$8() { try { var t = !Boolean.prototype.valueOf.call(Reflect.construct(Boolean, [], function () {})); } catch (t) {} return (_isNativeReflectConstruct$8 = function _isNativeReflectConstruct() { return !!t; })(); }
25512
- function ownKeys$D(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
25513
- function _objectSpread$D(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$D(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$D(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
25549
+ function ownKeys$E(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
25550
+ function _objectSpread$E(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$E(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$E(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
25514
25551
  function GenericInput(_ref) {
25515
25552
  _ref.schema;
25516
25553
  var value = _ref.value,
@@ -25533,7 +25570,7 @@ function GenericInput(_ref) {
25533
25570
  }
25534
25571
  }, [inputRef, isFocused]);
25535
25572
  return jsxRuntime.jsxs(jsxRuntime.Fragment, {
25536
- children: [jsxRuntime.jsx("input", _objectSpread$D({
25573
+ children: [jsxRuntime.jsx("input", _objectSpread$E({
25537
25574
  type: type,
25538
25575
  value: value !== null && value !== void 0 ? value : '',
25539
25576
  onInput: onChange,
@@ -25559,7 +25596,7 @@ function TextArea(_ref2) {
25559
25596
  onChange = _ref2.onChange,
25560
25597
  innerRef = _ref2.innerRef,
25561
25598
  rest = _objectWithoutProperties__default["default"](_ref2, _excluded2$4);
25562
- return jsxRuntime.jsx("textarea", _objectSpread$D({
25599
+ return jsxRuntime.jsx("textarea", _objectSpread$E({
25563
25600
  value: value !== null && value !== void 0 ? value : '',
25564
25601
  ref: innerRef,
25565
25602
  onInput: onChange
@@ -25577,7 +25614,7 @@ function CheckBox(_ref3) {
25577
25614
  rest = _objectWithoutProperties__default["default"](_ref3, _excluded3$1);
25578
25615
  return jsxRuntime.jsxs("div", {
25579
25616
  className: classes$C.fieldSetItem,
25580
- children: [jsxRuntime.jsx("input", _objectSpread$D({
25617
+ children: [jsxRuntime.jsx("input", _objectSpread$E({
25581
25618
  type: "checkbox",
25582
25619
  checked: Boolean(value),
25583
25620
  onClick: onChange,
@@ -25640,7 +25677,7 @@ function FieldSet(_ref5) {
25640
25677
  className: classes$C.fieldSetItem,
25641
25678
  children: jsxRuntime.jsxs("label", {
25642
25679
  className: classes$C.fieldSetLabel,
25643
- children: [jsxRuntime.jsx("input", _objectSpread$D({
25680
+ children: [jsxRuntime.jsx("input", _objectSpread$E({
25644
25681
  ref: innerRef,
25645
25682
  type: type,
25646
25683
  defaultChecked: type === 'radio' ? selected(val, checked) : selected(val, value),
@@ -25681,7 +25718,7 @@ function Slider(_ref6) {
25681
25718
  rest = _objectWithoutProperties__default["default"](_ref6, _excluded5$1);
25682
25719
  return jsxRuntime.jsxs("div", {
25683
25720
  className: classes$C.slider,
25684
- children: [jsxRuntime.jsx("input", _objectSpread$D({
25721
+ children: [jsxRuntime.jsx("input", _objectSpread$E({
25685
25722
  ref: innerRef,
25686
25723
  type: "checkbox",
25687
25724
  checked: value,
@@ -25715,7 +25752,7 @@ function inputCtrl(component, schema, _onChange) {
25715
25752
  type: 'text'
25716
25753
  };
25717
25754
  }
25718
- return _objectSpread$D({
25755
+ return _objectSpread$E({
25719
25756
  onChange: function onChange(ev) {
25720
25757
  var val = !component.val ? ev : component.val(ev, schema);
25721
25758
  _onChange(val);
@@ -25777,7 +25814,7 @@ function componentMap(props) {
25777
25814
  var AnyComponentWithRef = React__default["default"].forwardRef(function (_ref7, ref) {
25778
25815
  var Component = _ref7.Component,
25779
25816
  props = _objectWithoutProperties__default["default"](_ref7, _excluded6$1);
25780
- return jsxRuntime.jsx(Component, _objectSpread$D(_objectSpread$D({}, props), {}, {
25817
+ return jsxRuntime.jsx(Component, _objectSpread$E(_objectSpread$E({}, props), {}, {
25781
25818
  innerRef: ref
25782
25819
  }));
25783
25820
  });
@@ -25799,7 +25836,7 @@ var Input = function (_PureComponent) {
25799
25836
  _this$props.onChange;
25800
25837
  var innerRef = _this$props.innerRef,
25801
25838
  restProps = _objectWithoutProperties__default["default"](_this$props, _excluded7$1);
25802
- return jsxRuntime.jsx(AnyComponentWithRef, _objectSpread$D(_objectSpread$D({
25839
+ return jsxRuntime.jsx(AnyComponentWithRef, _objectSpread$E(_objectSpread$E({
25803
25840
  Component: this.component,
25804
25841
  ref: innerRef
25805
25842
  }, this.ctrl), restProps));
@@ -25808,7 +25845,7 @@ var Input = function (_PureComponent) {
25808
25845
  return Input;
25809
25846
  }(React.PureComponent);
25810
25847
  var Input$1 = React__default["default"].forwardRef(function (props, ref) {
25811
- return jsxRuntime.jsx(Input, _objectSpread$D({
25848
+ return jsxRuntime.jsx(Input, _objectSpread$E({
25812
25849
  innerRef: ref
25813
25850
  }, props));
25814
25851
  });
@@ -25886,8 +25923,8 @@ var _excluded$m = ["schema", "result"],
25886
25923
  _excluded8 = ["dataError"],
25887
25924
  _excluded9 = ["title", "name", "schema"],
25888
25925
  _excluded10 = ["pattern", "maxLength", "enum", "enumNames"];
25889
- function ownKeys$C(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
25890
- function _objectSpread$C(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$C(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$C(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
25926
+ function ownKeys$D(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
25927
+ function _objectSpread$D(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$D(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$D(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
25891
25928
  function _callSuper$7(t, o, e) { return o = _getPrototypeOf__default["default"](o), _possibleConstructorReturn__default["default"](t, _isNativeReflectConstruct$7() ? Reflect.construct(o, e || [], _getPrototypeOf__default["default"](t).constructor) : o.apply(t, e)); }
25892
25929
  function _isNativeReflectConstruct$7() { try { var t = !Boolean.prototype.valueOf.call(Reflect.construct(Boolean, [], function () {})); } catch (t) {} return (_isNativeReflectConstruct$7 = function _isNativeReflectConstruct() { return !!t; })(); }
25893
25930
  var Form = function (_Component) {
@@ -25906,7 +25943,7 @@ var Form = function (_Component) {
25906
25943
  valid = _this$schema$serializ.valid,
25907
25944
  errors = _this$schema$serializ.errors;
25908
25945
  var errs = getErrorsObj(errors);
25909
- var initialState = _objectSpread$C(_objectSpread$C({}, init), {}, {
25946
+ var initialState = _objectSpread$D(_objectSpread$D({}, init), {}, {
25910
25947
  init: true
25911
25948
  });
25912
25949
  onUpdate(initialState, valid, errs);
@@ -25992,7 +26029,7 @@ function Label(_ref) {
25992
26029
  children = _ref.children,
25993
26030
  props = _objectWithoutProperties__default["default"](_ref, _excluded2$3);
25994
26031
  var tooltip = props.tooltip ? props.tooltip : null;
25995
- return jsxRuntime.jsxs("label", _objectSpread$C(_objectSpread$C({}, props), {}, {
26032
+ return jsxRuntime.jsxs("label", _objectSpread$D(_objectSpread$D({}, props), {}, {
25996
26033
  children: [title && labelPos !== 'after' ? jsxRuntime.jsx("span", {
25997
26034
  title: tooltip,
25998
26035
  children: title
@@ -26027,11 +26064,11 @@ function Field(props) {
26027
26064
  dataError = _stateStore$field.dataError,
26028
26065
  fieldOpts = _objectWithoutProperties__default["default"](_stateStore$field, _excluded4);
26029
26066
  var Component = component;
26030
- var formField = component ? jsxRuntime.jsx(Component, _objectSpread$C(_objectSpread$C({
26067
+ var formField = component ? jsxRuntime.jsx(Component, _objectSpread$D(_objectSpread$D({
26031
26068
  name: name,
26032
26069
  schema: desc,
26033
26070
  className: className
26034
- }, fieldOpts), rest)) : jsxRuntime.jsx(Input$1, _objectSpread$C(_objectSpread$C(_objectSpread$C({
26071
+ }, fieldOpts), rest)) : jsxRuntime.jsx(Input$1, _objectSpread$D(_objectSpread$D(_objectSpread$D({
26035
26072
  name: name,
26036
26073
  schema: desc
26037
26074
  }, fieldOpts), rest), {}, {
@@ -26093,7 +26130,7 @@ function FieldWithModal(props) {
26093
26130
  className: clsx__default["default"](_defineProperty__default["default"](_defineProperty__default["default"](_defineProperty__default["default"]({}, classes$B.dataError, dataError), classes$B.inputWithEditButtonWrapper, true), classes$B.inputWrapper, true)),
26094
26131
  onMouseEnter: handlePopoverOpen,
26095
26132
  onMouseLeave: handlePopoverClose,
26096
- children: [jsxRuntime.jsx(Input$1, _objectSpread$C(_objectSpread$C({
26133
+ children: [jsxRuntime.jsx(Input$1, _objectSpread$D(_objectSpread$D({
26097
26134
  name: name,
26098
26135
  schema: desc
26099
26136
  }, fieldOpts), rest)), jsxRuntime.jsx(IconButton, {
@@ -26158,7 +26195,7 @@ function CustomQueryField(props) {
26158
26195
  onMouseEnter: handlePopoverOpen,
26159
26196
  onMouseLeave: handlePopoverClose,
26160
26197
  className: clsx__default["default"](_defineProperty__default["default"](_defineProperty__default["default"]({}, classes$B.dataError, dataError), classes$B.inputWrapper, true)),
26161
- children: jsxRuntime.jsx(Input$1, _objectSpread$C(_objectSpread$C({
26198
+ children: jsxRuntime.jsx(Input$1, _objectSpread$D(_objectSpread$D({
26162
26199
  type: "textarea",
26163
26200
  "data-testid": "atomCustomQuery",
26164
26201
  name: name,
@@ -26187,7 +26224,7 @@ var SelectOneOf = function SelectOneOf(props) {
26187
26224
  selectDesc["enum"].push(item);
26188
26225
  selectDesc.enumNames.push(schema[item].title || item);
26189
26226
  });
26190
- return jsxRuntime.jsx(Field, _objectSpread$C(_objectSpread$C({
26227
+ return jsxRuntime.jsx(Field, _objectSpread$D(_objectSpread$D({
26191
26228
  name: name,
26192
26229
  options: getSelectOptionsFromSchema(selectDesc),
26193
26230
  title: title
@@ -26220,7 +26257,7 @@ function propSchema(schema, _ref2) {
26220
26257
  _schemaCopy$propertie["enum"];
26221
26258
  _schemaCopy$propertie.enumNames;
26222
26259
  var rest = _objectWithoutProperties__default["default"](_schemaCopy$propertie, _excluded10);
26223
- schemaCopy.properties[formatName] = _objectSpread$C(_objectSpread$C({}, rest), {}, {
26260
+ schemaCopy.properties[formatName] = _objectSpread$D(_objectSpread$D({}, rest), {}, {
26224
26261
  format: formatName
26225
26262
  });
26226
26263
  });
@@ -26379,11 +26416,11 @@ var ColorPicker = function ColorPicker(props) {
26379
26416
  });
26380
26417
  };
26381
26418
 
26382
- var styles$c = {"measureInput":"measure-input-module_measureInput__uZQ-j","select":"measure-input-module_select__1ZFmv"};
26419
+ var styles$d = {"measureInput":"measure-input-module_measureInput__uZQ-j","select":"measure-input-module_select__1ZFmv"};
26383
26420
 
26384
26421
  var _excluded$l = ["schema", "value", "onChange", "name", "className"];
26385
- function ownKeys$B(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
26386
- function _objectSpread$B(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$B(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$B(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
26422
+ function ownKeys$C(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
26423
+ function _objectSpread$C(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$C(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$C(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
26387
26424
  var selectOptions$1 = getSelectOptionsFromSchema({
26388
26425
  "enum": ['cm', 'px', 'pt', 'inch']
26389
26426
  });
@@ -26427,8 +26464,8 @@ var MeasureInput = function MeasureInput(_ref) {
26427
26464
  calcValue();
26428
26465
  }, [value, measure, calcValue]);
26429
26466
  var desc = schema || schema.properties[name];
26430
- return jsxRuntime.jsxs("div", _objectSpread$B(_objectSpread$B({
26431
- className: clsx__default["default"](styles$c.measureInput, className)
26467
+ return jsxRuntime.jsxs("div", _objectSpread$C(_objectSpread$C({
26468
+ className: clsx__default["default"](styles$d.measureInput, className)
26432
26469
  }, rest), {}, {
26433
26470
  children: [jsxRuntime.jsx("span", {
26434
26471
  children: rest.title || desc.title
@@ -26445,7 +26482,7 @@ var MeasureInput = function MeasureInput(_ref) {
26445
26482
  onChange: handleMeasChange,
26446
26483
  options: selectOptions$1,
26447
26484
  value: measure,
26448
- className: styles$c.select
26485
+ className: styles$d.select
26449
26486
  })]
26450
26487
  })]
26451
26488
  }));
@@ -26464,8 +26501,8 @@ function convertValue(value, measureFrom, measureTo) {
26464
26501
  var classes$z = {"button-common-styles":"buttons-module_button-common-styles__qWDOz","scrollbar":"buttons-module_scrollbar__SpaVV","openButton":"buttons-module_openButton__wErm9"};
26465
26502
 
26466
26503
  var _excluded$k = ["children", "type", "server", "className"];
26467
- function ownKeys$A(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
26468
- function _objectSpread$A(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$A(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$A(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
26504
+ function ownKeys$B(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
26505
+ function _objectSpread$B(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$B(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$B(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
26469
26506
  function _callSuper$6(t, o, e) { return o = _getPrototypeOf__default["default"](o), _possibleConstructorReturn__default["default"](t, _isNativeReflectConstruct$6() ? Reflect.construct(o, e || [], _getPrototypeOf__default["default"](t).constructor) : o.apply(t, e)); }
26470
26507
  function _isNativeReflectConstruct$6() { try { var t = !Boolean.prototype.valueOf.call(Reflect.construct(Boolean, [], function () {})); } catch (t) {} return (_isNativeReflectConstruct$6 = function _isNativeReflectConstruct() { return !!t; })(); }
26471
26508
  var OpenButton = function (_Component) {
@@ -26510,7 +26547,7 @@ var OpenButton = function (_Component) {
26510
26547
  _this$props2.server;
26511
26548
  var className = _this$props2.className,
26512
26549
  props = _objectWithoutProperties__default["default"](_this$props2, _excluded$k);
26513
- return jsxRuntime.jsxs("button", _objectSpread$A(_objectSpread$A({
26550
+ return jsxRuntime.jsxs("button", _objectSpread$B(_objectSpread$B({
26514
26551
  onClick: function onClick() {
26515
26552
  return _this2.btn.click();
26516
26553
  },
@@ -26775,8 +26812,8 @@ var fieldGroups = {
26775
26812
  };
26776
26813
 
26777
26814
  var _excluded$j = ["initState", "formState", "server", "onOpenFile", "onReset", "appOpts"];
26778
- function ownKeys$z(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
26779
- function _objectSpread$z(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$z(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$z(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
26815
+ function ownKeys$A(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
26816
+ function _objectSpread$A(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$A(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$A(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
26780
26817
  var defaultSettings = getDefaultOptions();
26781
26818
  var HeaderContent$1 = function HeaderContent(_ref) {
26782
26819
  var server = _ref.server,
@@ -27029,7 +27066,7 @@ var SettingsDialog = function SettingsDialog(props) {
27029
27066
  formState: formState,
27030
27067
  initState: initState
27031
27068
  }),
27032
- children: jsxRuntime.jsx(Form$1, _objectSpread$z(_objectSpread$z({
27069
+ children: jsxRuntime.jsx(Form$1, _objectSpread$A(_objectSpread$A({
27033
27070
  schema: optionsSchema,
27034
27071
  init: initState
27035
27072
  }, formState), {}, {
@@ -27102,8 +27139,8 @@ function ErrorsCheck(props) {
27102
27139
  var style = {"button-common-styles":"Check-module_button-common-styles__WPocW","scrollbar":"Check-module_scrollbar__3jzOc","dialog_body":"Check-module_dialog_body__wHZMM","buttons":"Check-module_buttons__cjuqO","buttonSecondary":"Check-module_buttonSecondary__2482r","buttonPrimary":"Check-module_buttonPrimary__1h5p1","buttonsRight":"Check-module_buttonsRight__L1v9A","wrapper":"Check-module_wrapper__27SOp","checkInfo":"Check-module_checkInfo__Iqq6t","settings":"Check-module_settings__knuQF","warnings":"Check-module_warnings__b4ozd","centeredContainer":"Check-module_centeredContainer__t61r8","warningsContainer":"Check-module_warningsContainer__vSbyK","checkBoxesDisabled":"Check-module_checkBoxesDisabled__EAdRo"};
27103
27140
 
27104
27141
  var _excluded$i = ["formState", "checkState", "onCheck", "onApply", "onCancel"];
27105
- function ownKeys$y(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
27106
- function _objectSpread$y(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$y(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$y(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
27142
+ function ownKeys$z(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
27143
+ function _objectSpread$z(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$z(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$z(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
27107
27144
  var checkSchema = {
27108
27145
  title: 'Check',
27109
27146
  type: 'object',
@@ -27197,7 +27234,7 @@ function CheckDialog(props) {
27197
27234
  return jsxRuntime.jsx(Dialog, {
27198
27235
  title: "Structure Check",
27199
27236
  className: style.dialog_body,
27200
- params: _objectSpread$y(_objectSpread$y({}, restProps), {}, {
27237
+ params: _objectSpread$z(_objectSpread$z({}, restProps), {}, {
27201
27238
  onCancel: onCancel
27202
27239
  }),
27203
27240
  buttons: [],
@@ -27209,7 +27246,7 @@ function CheckDialog(props) {
27209
27246
  isCheckedWithNewSettings: isCheckedWithNewSettings
27210
27247
  }),
27211
27248
  withDivider: true,
27212
- children: jsxRuntime.jsx(Form$1, _objectSpread$y(_objectSpread$y({
27249
+ children: jsxRuntime.jsx(Form$1, _objectSpread$z(_objectSpread$z({
27213
27250
  schema: checkSchema,
27214
27251
  init: checkState
27215
27252
  }, formState), {}, {
@@ -27269,7 +27306,7 @@ var mapDispatchToProps$c = function mapDispatchToProps(dispatch, ownProps) {
27269
27306
  };
27270
27307
  var Check = reactRedux.connect(mapStateToProps$e, mapDispatchToProps$c)(CheckDialog);
27271
27308
 
27272
- var styles$b = {"button-common-styles":"FormulaInput-module_button-common-styles__xQ8ZA","scrollbar":"FormulaInput-module_scrollbar__8TUkb","chem_input":"FormulaInput-module_chem_input__oprB3"};
27309
+ var styles$c = {"button-common-styles":"FormulaInput-module_button-common-styles__xQ8ZA","scrollbar":"FormulaInput-module_scrollbar__8TUkb","chem_input":"FormulaInput-module_chem_input__oprB3"};
27273
27310
 
27274
27311
  var formulaRegexp = /\b(\d*)([A-Z][a-z]{0,3}#?)(\d*)\s*\b/g;
27275
27312
  var errorRegexp = /error:.*/g;
@@ -27283,7 +27320,7 @@ function formulaInputMarkdown(contentData) {
27283
27320
  }
27284
27321
  };
27285
27322
  return jsxRuntime.jsx("div", {
27286
- className: styles$b.chem_input,
27323
+ className: styles$c.chem_input,
27287
27324
  onKeyPress: function onKeyPress(e) {
27288
27325
  return e.preventDefault();
27289
27326
  },
@@ -27484,8 +27521,8 @@ var DialogActionButton = function DialogActionButton(_ref) {
27484
27521
 
27485
27522
  var _excluded$g = ["file", "structStr", "fragment", "version", "imagoVersions", "onOk"],
27486
27523
  _excluded2$2 = ["onRecognize", "isFragment", "onImage", "onChangeImago"];
27487
- function ownKeys$x(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
27488
- function _objectSpread$x(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$x(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$x(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
27524
+ function ownKeys$y(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
27525
+ function _objectSpread$y(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$y(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$y(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
27489
27526
  function isImage(file) {
27490
27527
  var _file$type;
27491
27528
  return file === null || file === void 0 || (_file$type = file.type) === null || _file$type === void 0 ? void 0 : _file$type.includes('image');
@@ -27567,7 +27604,7 @@ function RecognizeDialog(prop) {
27567
27604
  return jsxRuntime.jsxs(Dialog, {
27568
27605
  title: "Import Structure from Image",
27569
27606
  className: classes$v.recognize,
27570
- params: _objectSpread$x(_objectSpread$x({}, props), {}, {
27607
+ params: _objectSpread$y(_objectSpread$y({}, props), {}, {
27571
27608
  onOk: onOk
27572
27609
  }),
27573
27610
  result: function result() {
@@ -27894,8 +27931,8 @@ var ElementNumber = function ElementNumber(props) {
27894
27931
  });
27895
27932
  };
27896
27933
 
27897
- function ownKeys$w(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
27898
- function _objectSpread$w(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$w(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$w(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
27934
+ function ownKeys$x(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
27935
+ function _objectSpread$x(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$x(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$x(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
27899
27936
  var atomProps$1 = atom.properties;
27900
27937
  var AtomElement = function AtomElement(_ref) {
27901
27938
  var formState = _ref.formState;
@@ -27907,7 +27944,7 @@ var AtomElement = function AtomElement(_ref) {
27907
27944
  label = _formState$result.label;
27908
27945
  var dispatch = reactRedux.useDispatch();
27909
27946
  var openNestedDialog = function openNestedDialog(modalName, props, onChange) {
27910
- openDialog(dispatch, modalName, _objectSpread$w(_objectSpread$w({}, props), {}, {
27947
+ openDialog(dispatch, modalName, _objectSpread$x(_objectSpread$x({}, props), {}, {
27911
27948
  isNestedModal: true
27912
27949
  })).then(function (el) {
27913
27950
  var _el$values;
@@ -27968,8 +28005,8 @@ var AtomElement = function AtomElement(_ref) {
27968
28005
  };
27969
28006
 
27970
28007
  var _excluded$e = ["formState", "stereoParity", "isMultipleAtoms", "isRestoredModal"];
27971
- function ownKeys$v(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
27972
- function _objectSpread$v(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$v(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$v(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
28008
+ function ownKeys$w(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
28009
+ function _objectSpread$w(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$w(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$w(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
27973
28010
  var atomProps = atom.properties;
27974
28011
  var querySpecificFields = [{
27975
28012
  name: 'ringBondCount',
@@ -28095,7 +28132,7 @@ var Atom = function Atom(props) {
28095
28132
  "data-testid": field.name
28096
28133
  }, field.name);
28097
28134
  } else {
28098
- return jsxRuntime.jsx(Field, _objectSpread$v({}, field), field.name);
28135
+ return jsxRuntime.jsx(Field, _objectSpread$w({}, field), field.name);
28099
28136
  }
28100
28137
  })
28101
28138
  })
@@ -28129,7 +28166,7 @@ var Atom = function Atom(props) {
28129
28166
  },
28130
28167
  buttons: ['Cancel', 'OK'],
28131
28168
  withDivider: true,
28132
- children: jsxRuntime.jsx(Form$1, _objectSpread$v(_objectSpread$v({
28169
+ children: jsxRuntime.jsx(Form$1, _objectSpread$w(_objectSpread$w({
28133
28170
  schema: atom,
28134
28171
  customValid: customValid,
28135
28172
  init: isRestoredModal ? null : rest
@@ -28190,8 +28227,8 @@ var AtomContainer = reactRedux.connect(mapStateToProps$a)(Atom);
28190
28227
  var classes$s = {"attachPoints":"Attach-module_attachPoints__5QEAv"};
28191
28228
 
28192
28229
  var _excluded$d = ["formState"];
28193
- function ownKeys$u(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
28194
- function _objectSpread$u(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$u(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$u(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
28230
+ function ownKeys$v(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
28231
+ function _objectSpread$v(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$v(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$v(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
28195
28232
  var AttachPoints = function AttachPoints(props) {
28196
28233
  var formState = props.formState,
28197
28234
  rest = _objectWithoutProperties__default["default"](props, _excluded$d);
@@ -28210,7 +28247,7 @@ var AttachPoints = function AttachPoints(props) {
28210
28247
  },
28211
28248
  buttons: ['Cancel', 'OK'],
28212
28249
  withDivider: true,
28213
- children: jsxRuntime.jsxs(Form$1, _objectSpread$u(_objectSpread$u({
28250
+ children: jsxRuntime.jsxs(Form$1, _objectSpread$v(_objectSpread$v({
28214
28251
  schema: attachmentPoints,
28215
28252
  init: rest
28216
28253
  }, formState), {}, {
@@ -28233,8 +28270,8 @@ var AttachPointsContainer = reactRedux.connect(mapStateToProps$9)(AttachPoints);
28233
28270
  var classes$r = {"automap":"Automap-module_automap__531ko"};
28234
28271
 
28235
28272
  var _excluded$c = ["formState"];
28236
- function ownKeys$t(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
28237
- function _objectSpread$t(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$t(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$t(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
28273
+ function ownKeys$u(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
28274
+ function _objectSpread$u(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$u(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$u(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
28238
28275
  var automapSchema = {
28239
28276
  title: 'Reaction Auto-Mapping',
28240
28277
  type: 'object',
@@ -28266,10 +28303,10 @@ var Automap = function Automap(props) {
28266
28303
  buttonsNameMap: {
28267
28304
  OK: 'Apply'
28268
28305
  },
28269
- children: jsxRuntime.jsx(Form$1, _objectSpread$t(_objectSpread$t({
28306
+ children: jsxRuntime.jsx(Form$1, _objectSpread$u(_objectSpread$u({
28270
28307
  schema: automapSchema
28271
28308
  }, formState), {}, {
28272
- children: jsxRuntime.jsx(Field, _objectSpread$t(_objectSpread$t({
28309
+ children: jsxRuntime.jsx(Field, _objectSpread$u(_objectSpread$u({
28273
28310
  name: "mode",
28274
28311
  options: getSelectOptionsFromSchema(automapSchema.properties.mode)
28275
28312
  }, props), {}, {
@@ -28298,8 +28335,8 @@ var AutomapContainer = reactRedux.connect(mapStateToProps$8, mapDispatchToProps$
28298
28335
  var classes$q = {"bond":"Bond-module_bond__EDfLY","customQueryWrapper":"Bond-module_customQueryWrapper__mKGLY"};
28299
28336
 
28300
28337
  var _excluded$b = ["formState"];
28301
- function ownKeys$s(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
28302
- function _objectSpread$s(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$s(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$s(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
28338
+ function ownKeys$t(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
28339
+ function _objectSpread$t(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$t(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$t(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
28303
28340
  var Bond = function Bond(props) {
28304
28341
  var formState = props.formState,
28305
28342
  rest = _objectWithoutProperties__default["default"](props, _excluded$b);
@@ -28357,7 +28394,7 @@ var Bond = function Bond(props) {
28357
28394
  },
28358
28395
  buttons: ['Cancel', 'OK'],
28359
28396
  withDivider: true,
28360
- children: jsxRuntime.jsxs(Form$1, _objectSpread$s(_objectSpread$s({
28397
+ children: jsxRuntime.jsxs(Form$1, _objectSpread$t(_objectSpread$t({
28361
28398
  schema: bond,
28362
28399
  init: rest
28363
28400
  }, formState), {}, {
@@ -28443,8 +28480,8 @@ var BondContainer = reactRedux.connect(mapStateToProps$7)(Bond);
28443
28480
 
28444
28481
  var classes$p = {"field":"IfThenSelect-module_field__9YaPA"};
28445
28482
 
28446
- function ownKeys$r(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
28447
- function _objectSpread$r(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$r(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$r(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
28483
+ function ownKeys$s(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
28484
+ function _objectSpread$s(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$s(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$s(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
28448
28485
  var IfThenSelect = function IfThenSelect(props) {
28449
28486
  var rgroupLabels = props.rgroupLabels,
28450
28487
  label = props.label,
@@ -28462,7 +28499,7 @@ var IfThenSelect = function IfThenSelect(props) {
28462
28499
  desc.enumNames.push("IF R".concat(label, " THEN R").concat(rgroupLabel));
28463
28500
  }
28464
28501
  });
28465
- return jsxRuntime.jsx(Field, _objectSpread$r(_objectSpread$r({
28502
+ return jsxRuntime.jsx(Field, _objectSpread$s(_objectSpread$s({
28466
28503
  schema: desc,
28467
28504
  className: classes$p.field
28468
28505
  }, props), {}, {
@@ -28474,8 +28511,8 @@ var IfThenSelect = function IfThenSelect(props) {
28474
28511
  var classes$o = {"button-common-styles":"RgroupLogic-module_button-common-styles__P-ABP","scrollbar":"RgroupLogic-module_scrollbar__gDniy","rgroupLogic":"RgroupLogic-module_rgroupLogic__q4RTy","resth":"RgroupLogic-module_resth__RL2qE"};
28475
28512
 
28476
28513
  var _excluded$a = ["formState", "label", "rgroupLabels"];
28477
- function ownKeys$q(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
28478
- function _objectSpread$q(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$q(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$q(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
28514
+ function ownKeys$r(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
28515
+ function _objectSpread$r(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$r(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$r(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
28479
28516
  var RgroupLogic = function RgroupLogic(props) {
28480
28517
  var formState = props.formState,
28481
28518
  label = props.label,
@@ -28496,7 +28533,7 @@ var RgroupLogic = function RgroupLogic(props) {
28496
28533
  },
28497
28534
  buttons: ['Cancel', 'OK'],
28498
28535
  withDivider: true,
28499
- children: jsxRuntime.jsxs(Form$1, _objectSpread$q(_objectSpread$q({
28536
+ children: jsxRuntime.jsxs(Form$1, _objectSpread$r(_objectSpread$r({
28500
28537
  schema: rgroupLogic,
28501
28538
  customValid: {
28502
28539
  range: function range(r) {
@@ -28535,15 +28572,15 @@ var RgroupLogicContainer = reactRedux.connect(mapStateToProps$6)(RgroupLogic);
28535
28572
 
28536
28573
  var classes$n = {"button-common-styles":"Open-module_button-common-styles__NBSQP","scrollbar":"Open-module_scrollbar__sRvYM","open":"Open-module_open__m8V9g","textareaEditor":"Open-module_textareaEditor__ZbEVj","footerContent":"Open-module_footerContent__Q0hTw","buttonsContainer":"Open-module_buttonsContainer__L1HqU","openButton":"Open-module_openButton__cj3oU","cancelButton":"Open-module_cancelButton__0TQzA","copyButton":"Open-module_copyButton__KlXKd"};
28537
28574
 
28538
- var styles$a = {"analyzingFileWrapper":"AnalyzingFile-module_analyzingFileWrapper__j0Ltf","fileBox":"AnalyzingFile-module_fileBox__ywFIh"};
28575
+ var styles$b = {"analyzingFileWrapper":"AnalyzingFile-module_analyzingFileWrapper__j0Ltf","fileBox":"AnalyzingFile-module_fileBox__ywFIh"};
28539
28576
 
28540
28577
  var ICON_NAME = 'file-thumbnail';
28541
28578
  var AnalyzingFile = function AnalyzingFile(_ref) {
28542
28579
  var fileName = _ref.fileName;
28543
28580
  return jsxRuntime.jsxs("div", {
28544
- className: styles$a.analyzingFileWrapper,
28581
+ className: styles$b.analyzingFileWrapper,
28545
28582
  children: [fileName && jsxRuntime.jsxs("div", {
28546
- className: styles$a.fileBox,
28583
+ className: styles$b.fileBox,
28547
28584
  children: [jsxRuntime.jsx(Icon, {
28548
28585
  name: ICON_NAME
28549
28586
  }), jsxRuntime.jsx("p", {
@@ -28553,13 +28590,13 @@ var AnalyzingFile = function AnalyzingFile(_ref) {
28553
28590
  });
28554
28591
  };
28555
28592
 
28556
- var styles$9 = {"optionsContainer":"OpenOptions-module_optionsContainer__-WqT8","dropContainer":"OpenOptions-module_dropContainer__PL6Tg","buttonLabelWrapper":"OpenOptions-module_buttonLabelWrapper__h2YsI","buttonLabel":"OpenOptions-module_buttonLabel__LiY--","textLabelWrapper":"OpenOptions-module_textLabelWrapper__Vx8NF","textLabel":"OpenOptions-module_textLabel__TlOfz","dropIconWrapper":"OpenOptions-module_dropIconWrapper__ibBQx"};
28593
+ var styles$a = {"optionsContainer":"OpenOptions-module_optionsContainer__-WqT8","dropContainer":"OpenOptions-module_dropContainer__PL6Tg","buttonLabelWrapper":"OpenOptions-module_buttonLabelWrapper__h2YsI","buttonLabel":"OpenOptions-module_buttonLabel__LiY--","textLabelWrapper":"OpenOptions-module_textLabelWrapper__Vx8NF","textLabel":"OpenOptions-module_textLabel__TlOfz","dropIconWrapper":"OpenOptions-module_dropIconWrapper__ibBQx"};
28557
28594
 
28558
- var styles$8 = {"isHovered":"FileDrop-module_isHovered__c-CDn","isDisabled":"FileDrop-module_isDisabled__Ejuyq"};
28595
+ var styles$9 = {"isHovered":"FileDrop-module_isHovered__c-CDn","isDisabled":"FileDrop-module_isDisabled__Ejuyq"};
28559
28596
 
28560
28597
  var _excluded$9 = ["buttonLabel", "textLabel", "iconName", "disabled", "disabledText"];
28561
- function ownKeys$p(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
28562
- function _objectSpread$p(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$p(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$p(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
28598
+ function ownKeys$q(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
28599
+ function _objectSpread$q(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$q(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$q(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
28563
28600
  var FileDrop = function FileDrop(_ref) {
28564
28601
  var buttonLabel = _ref.buttonLabel,
28565
28602
  textLabel = _ref.textLabel,
@@ -28567,7 +28604,7 @@ var FileDrop = function FileDrop(_ref) {
28567
28604
  disabled = _ref.disabled,
28568
28605
  disabledText = _ref.disabledText,
28569
28606
  rest = _objectWithoutProperties__default["default"](_ref, _excluded$9);
28570
- var _useDropzone = reactDropzone.useDropzone(_objectSpread$p({
28607
+ var _useDropzone = reactDropzone.useDropzone(_objectSpread$q({
28571
28608
  multiple: false,
28572
28609
  disabled: disabled
28573
28610
  }, rest)),
@@ -28576,33 +28613,33 @@ var FileDrop = function FileDrop(_ref) {
28576
28613
  isDragActive = _useDropzone.isDragActive,
28577
28614
  open = _useDropzone.open;
28578
28615
  var getClassesString = React.useMemo(function () {
28579
- var classes = [styles$9.dropContainer, isDragActive ? styles$8.isHovered : null, disabled ? styles$8.isDisabled : null];
28616
+ var classes = [styles$a.dropContainer, isDragActive ? styles$9.isHovered : null, disabled ? styles$9.isDisabled : null];
28580
28617
  return classes.join(' ');
28581
28618
  }, [isDragActive]);
28582
- return jsxRuntime.jsxs("div", _objectSpread$p(_objectSpread$p({
28619
+ return jsxRuntime.jsxs("div", _objectSpread$q(_objectSpread$q({
28583
28620
  onKeyDown: open
28584
28621
  }, getRootProps({
28585
28622
  className: getClassesString
28586
28623
  })), {}, {
28587
- children: [jsxRuntime.jsx("input", _objectSpread$p({}, getInputProps())), jsxRuntime.jsx("div", {
28588
- className: styles$9.dropIconWrapper,
28624
+ children: [jsxRuntime.jsx("input", _objectSpread$q({}, getInputProps())), jsxRuntime.jsx("div", {
28625
+ className: styles$a.dropIconWrapper,
28589
28626
  children: jsxRuntime.jsx(Icon, {
28590
28627
  name: iconName
28591
28628
  })
28592
28629
  }), disabled ? jsxRuntime.jsx("p", {
28593
- className: styles$9.textLabel,
28630
+ className: styles$a.textLabel,
28594
28631
  children: disabledText
28595
28632
  }) : jsxRuntime.jsxs(jsxRuntime.Fragment, {
28596
28633
  children: [jsxRuntime.jsx("div", {
28597
- className: styles$9.textLabelWrapper,
28634
+ className: styles$a.textLabelWrapper,
28598
28635
  children: jsxRuntime.jsx("p", {
28599
- className: styles$9.textLabel,
28636
+ className: styles$a.textLabel,
28600
28637
  children: textLabel
28601
28638
  })
28602
28639
  }), jsxRuntime.jsx("div", {
28603
- className: styles$9.buttonLabelWrapper,
28640
+ className: styles$a.buttonLabelWrapper,
28604
28641
  children: jsxRuntime.jsx("p", {
28605
- className: styles$9.buttonLabel,
28642
+ className: styles$a.buttonLabel,
28606
28643
  children: buttonLabel
28607
28644
  })
28608
28645
  })]
@@ -28622,21 +28659,21 @@ var OpenOptions = function OpenOptions(_ref) {
28622
28659
  isRecognizeDisabled = _ref.isRecognizeDisabled,
28623
28660
  errorHandler = _ref.errorHandler;
28624
28661
  return jsxRuntime.jsxs("div", {
28625
- className: styles$9.optionsContainer,
28662
+ className: styles$a.optionsContainer,
28626
28663
  children: [jsxRuntime.jsxs("div", {
28627
28664
  onClick: selectClipboard,
28628
- className: styles$9.dropContainer,
28665
+ className: styles$a.dropContainer,
28629
28666
  children: [jsxRuntime.jsx("div", {
28630
- className: styles$9.dropIconWrapper,
28667
+ className: styles$a.dropIconWrapper,
28631
28668
  children: jsxRuntime.jsx(Icon, {
28632
28669
  name: ICON_NAMES.PASTE
28633
28670
  })
28634
28671
  }), jsxRuntime.jsx("div", {
28635
- className: styles$9.textLabelWrapper
28672
+ className: styles$a.textLabelWrapper
28636
28673
  }), jsxRuntime.jsx("div", {
28637
- className: styles$9.buttonLabelWrapper,
28674
+ className: styles$a.buttonLabelWrapper,
28638
28675
  children: jsxRuntime.jsx("p", {
28639
- className: styles$9.buttonLabel,
28676
+ className: styles$a.buttonLabel,
28640
28677
  children: "Paste from clipboard"
28641
28678
  })
28642
28679
  })]
@@ -28680,6 +28717,144 @@ var TextEditor = function TextEditor(_ref) {
28680
28717
  });
28681
28718
  };
28682
28719
 
28720
+ var serverSelector = function serverSelector(state) {
28721
+ return state.options.app.server ? state.server : null;
28722
+ };
28723
+
28724
+ var styles$8 = {"wrapper":"CDXStructuresViewer-module_wrapper__7nZbQ","structuresWrapper":"CDXStructuresViewer-module_structuresWrapper__kZN0N","menuListWrapper":"CDXStructuresViewer-module_menuListWrapper__za1za","header":"CDXStructuresViewer-module_header__107Fj","fileName":"CDXStructuresViewer-module_fileName__BkvUb","menuItem":"CDXStructuresViewer-module_menuItem__21Wb1","centerWrapper":"CDXStructuresViewer-module_centerWrapper__T26wg","imageWrapper":"CDXStructuresViewer-module_imageWrapper__m54Wi","image":"CDXStructuresViewer-module_image__7Q-Ah"};
28725
+
28726
+ var editorOptionsSelector = function editorOptionsSelector(state) {
28727
+ var _state$editor;
28728
+ return (_state$editor = state.editor) === null || _state$editor === void 0 || (_state$editor = _state$editor.render) === null || _state$editor === void 0 ? void 0 : _state$editor.options;
28729
+ };
28730
+
28731
+ function ownKeys$p(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
28732
+ function _objectSpread$p(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$p(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$p(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
28733
+ var CDXStructuresViewer = function CDXStructuresViewer(_ref) {
28734
+ var _ref$structList = _ref.structList,
28735
+ structList = _ref$structList === void 0 ? [] : _ref$structList,
28736
+ inputHandler = _ref.inputHandler,
28737
+ fileName = _ref.fileName;
28738
+ var server = reactRedux.useSelector(serverSelector);
28739
+ var editorOptions = reactRedux.useSelector(editorOptionsSelector);
28740
+ var _useState = React.useState(0),
28741
+ _useState2 = _slicedToArray__default["default"](_useState, 2),
28742
+ selectedIndex = _useState2[0],
28743
+ setSelectedIndex = _useState2[1];
28744
+ var _useState3 = React.useState({}),
28745
+ _useState4 = _slicedToArray__default["default"](_useState3, 2),
28746
+ itemsMap = _useState4[0],
28747
+ setItemsMap = _useState4[1];
28748
+ var _useState5 = React.useState(false),
28749
+ _useState6 = _slicedToArray__default["default"](_useState5, 2),
28750
+ loading = _useState6[0],
28751
+ setLoading = _useState6[1];
28752
+ React.useEffect(function () {
28753
+ if (!itemsMap[selectedIndex] || itemsMap[selectedIndex].error) {
28754
+ inputHandler('');
28755
+ } else {
28756
+ inputHandler(itemsMap[selectedIndex].base64struct);
28757
+ }
28758
+ }, [inputHandler, itemsMap, selectedIndex]);
28759
+ var getImages = React.useCallback(function () {
28760
+ var itemsList = {};
28761
+ setLoading(true);
28762
+ var promises = structList.map(function (str) {
28763
+ return parseStruct(str, server).then(function (struct) {
28764
+ return {
28765
+ base64struct: str,
28766
+ struct: struct
28767
+ };
28768
+ })["catch"](function (error) {
28769
+ return {
28770
+ base64struct: str,
28771
+ error: error.message || error
28772
+ };
28773
+ });
28774
+ });
28775
+ Promise.allSettled(promises).then(function (values) {
28776
+ values.forEach(function (el, index) {
28777
+ if (el.status === 'fulfilled') {
28778
+ itemsList[index] = el.value;
28779
+ }
28780
+ });
28781
+ setItemsMap(itemsList);
28782
+ setLoading(false);
28783
+ setSelectedIndex(0);
28784
+ });
28785
+ }, [server, structList]);
28786
+ React.useEffect(function () {
28787
+ getImages();
28788
+ }, [getImages]);
28789
+ var renderStructure = function renderStructure(structure) {
28790
+ if (structure !== null && structure !== void 0 && structure.error) {
28791
+ var _itemsMap$selectedInd;
28792
+ return jsxRuntime.jsxs("div", {
28793
+ children: ["Error: ", (_itemsMap$selectedInd = itemsMap[selectedIndex]) === null || _itemsMap$selectedInd === void 0 ? void 0 : _itemsMap$selectedInd.error]
28794
+ });
28795
+ }
28796
+ if (structure !== null && structure !== void 0 && structure.struct) {
28797
+ return jsxRuntime.jsx(StructRender, {
28798
+ className: styles$8.image,
28799
+ struct: structure.struct,
28800
+ options: _objectSpread$p(_objectSpread$p({}, editorOptions), {}, {
28801
+ autoScale: true,
28802
+ needCache: false
28803
+ })
28804
+ });
28805
+ }
28806
+ return null;
28807
+ };
28808
+ var renderStructures = function renderStructures() {
28809
+ if (!(structList !== null && structList !== void 0 && structList.length)) {
28810
+ return jsxRuntime.jsx("div", {
28811
+ className: styles$8.centerWrapper,
28812
+ children: jsxRuntime.jsx("div", {
28813
+ children: "No embedded structures found in the file"
28814
+ })
28815
+ });
28816
+ }
28817
+ var menuList = Object.values(itemsMap) || [];
28818
+ return jsxRuntime.jsxs("div", {
28819
+ className: styles$8.structuresWrapper,
28820
+ children: [jsxRuntime.jsxs("div", {
28821
+ className: styles$8.menuListWrapper,
28822
+ children: [jsxRuntime.jsx("div", {
28823
+ className: styles$8.header,
28824
+ children: "Select structure"
28825
+ }), jsxRuntime.jsx(material.MenuList, {
28826
+ children: menuList.map(function (value, index) {
28827
+ return jsxRuntime.jsxs(MenuItem__default["default"], {
28828
+ selected: index === selectedIndex,
28829
+ onClick: function onClick() {
28830
+ return setSelectedIndex(index);
28831
+ },
28832
+ children: ["Structure ".concat(index + 1), value.error && jsxRuntime.jsx(Icon, {
28833
+ name: "error"
28834
+ })]
28835
+ }, value.base64struct + index);
28836
+ })
28837
+ })]
28838
+ }), jsxRuntime.jsx("div", {
28839
+ className: styles$8.imageWrapper,
28840
+ children: renderStructure(itemsMap[selectedIndex])
28841
+ })]
28842
+ });
28843
+ };
28844
+ return jsxRuntime.jsxs("div", {
28845
+ className: styles$8.wrapper,
28846
+ children: [jsxRuntime.jsxs("div", {
28847
+ children: ["File: ", jsxRuntime.jsx("span", {
28848
+ className: styles$8.fileName,
28849
+ children: fileName
28850
+ })]
28851
+ }), loading ? jsxRuntime.jsx("div", {
28852
+ className: styles$8.centerWrapper,
28853
+ children: jsxRuntime.jsx(LoadingCircles, {})
28854
+ }) : renderStructures()]
28855
+ });
28856
+ };
28857
+
28683
28858
  function ownKeys$o(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
28684
28859
  function _objectSpread$o(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$o(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$o(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
28685
28860
  var ViewSwitcher = function ViewSwitcher(props) {
@@ -28693,6 +28868,8 @@ var ViewSwitcher = function ViewSwitcher(props) {
28693
28868
  return jsxRuntime.jsx(OpenOptions, _objectSpread$o({}, props));
28694
28869
  case props.states.textEditor:
28695
28870
  return jsxRuntime.jsx(TextEditor, _objectSpread$o({}, props));
28871
+ case props.states.presentationViewer:
28872
+ return jsxRuntime.jsx(CDXStructuresViewer, _objectSpread$o({}, props));
28696
28873
  default:
28697
28874
  return null;
28698
28875
  }
@@ -28705,7 +28882,8 @@ function _objectSpread$n(e) { for (var r = 1; r < arguments.length; r++) { var t
28705
28882
  var MODAL_STATES = {
28706
28883
  idle: 'idle',
28707
28884
  textEditor: 'textEditor',
28708
- imageRec: 'imageRec'
28885
+ imageRec: 'imageRec',
28886
+ presentationViewer: 'presentationViewer'
28709
28887
  };
28710
28888
  var FooterContent$1 = function FooterContent(_ref) {
28711
28889
  var structStr = _ref.structStr,
@@ -28747,18 +28925,22 @@ var Open = function Open(props) {
28747
28925
  _useState2 = _slicedToArray__default["default"](_useState, 2),
28748
28926
  structStr = _useState2[0],
28749
28927
  setStructStr = _useState2[1];
28750
- var _useState3 = React.useState(''),
28928
+ var _useState3 = React.useState([]),
28751
28929
  _useState4 = _slicedToArray__default["default"](_useState3, 2),
28752
- fileName = _useState4[0],
28753
- setFileName = _useState4[1];
28754
- var _useState5 = React.useState(),
28930
+ structList = _useState4[0],
28931
+ setStructList = _useState4[1];
28932
+ var _useState5 = React.useState(''),
28755
28933
  _useState6 = _slicedToArray__default["default"](_useState5, 2),
28756
- opener = _useState6[0],
28757
- setOpener = _useState6[1];
28758
- var _useState7 = React.useState(MODAL_STATES.idle),
28934
+ fileName = _useState6[0],
28935
+ setFileName = _useState6[1];
28936
+ var _useState7 = React.useState(),
28759
28937
  _useState8 = _slicedToArray__default["default"](_useState7, 2),
28760
- currentState = _useState8[0],
28761
- setCurrentState = _useState8[1];
28938
+ opener = _useState8[0],
28939
+ setOpener = _useState8[1];
28940
+ var _useState9 = React.useState(MODAL_STATES.idle),
28941
+ _useState10 = _slicedToArray__default["default"](_useState9, 2),
28942
+ currentState = _useState10[0],
28943
+ setCurrentState = _useState10[1];
28762
28944
  React.useEffect(function () {
28763
28945
  if (server) {
28764
28946
  fileOpener(server).then(function (chosenOpener) {
@@ -28770,8 +28952,14 @@ var Open = function Open(props) {
28770
28952
  }, [server]);
28771
28953
  var onFileLoad = function onFileLoad(files) {
28772
28954
  var onLoad = function onLoad(fileContent) {
28773
- setStructStr(fileContent);
28774
- setCurrentState(MODAL_STATES.textEditor);
28955
+ if (fileContent.isPPTX) {
28956
+ setStructStr('');
28957
+ setStructList(fileContent.structures);
28958
+ setCurrentState(MODAL_STATES.presentationViewer);
28959
+ } else {
28960
+ setStructStr(fileContent);
28961
+ setCurrentState(MODAL_STATES.textEditor);
28962
+ }
28775
28963
  };
28776
28964
  var onError = function onError() {
28777
28965
  return errorHandler('Error processing file');
@@ -28798,7 +28986,7 @@ var Open = function Open(props) {
28798
28986
  fragment: false
28799
28987
  });
28800
28988
  };
28801
- var withFooterContent = currentState === MODAL_STATES.textEditor && !isAnalyzingFile;
28989
+ var withFooterContent = (currentState === MODAL_STATES.textEditor || currentState === MODAL_STATES.presentationViewer) && !isAnalyzingFile;
28802
28990
  if (currentState === MODAL_STATES.imageRec) {
28803
28991
  return jsxRuntime.jsx(Recognize, _objectSpread$n({}, rest));
28804
28992
  }
@@ -28832,7 +29020,8 @@ var Open = function Open(props) {
28832
29020
  isRecognizeDisabled: isRecognizeDisabled,
28833
29021
  structStr: structStr,
28834
29022
  inputHandler: setStructStr,
28835
- autoFocus: true
29023
+ autoFocus: true,
29024
+ structList: structList
28836
29025
  })
28837
29026
  });
28838
29027
  };
@@ -32531,8 +32720,8 @@ var KetcherBuilder = function () {
32531
32720
  initApp(element, appRoot, staticResourcesUrl, {
32532
32721
  buttons: buttons || {},
32533
32722
  errorHandler: errorHandler || null,
32534
- version: "2.18.0-rc.2" ,
32535
- buildDate: "2024-01-17T14:23:52" ,
32723
+ version: "2.18.0-rc.3" ,
32724
+ buildDate: "2024-01-31T10:46:48" ,
32536
32725
  buildNumber: ''
32537
32726
  }, structService, resolve, togglerComponent);
32538
32727
  });