ketcher-react 2.8.0-rc.3 → 2.8.0-rc.3-dev.2

package/dist/index.modern.js

@@ -24,7 +24,7 @@ import _asyncToGenerator from '@babel/runtime/helpers/asyncToGenerator';
 import _regeneratorRuntime from '@babel/runtime/regenerator';
 import _classCallCheck from '@babel/runtime/helpers/classCallCheck';
 import _createClass from '@babel/runtime/helpers/createClass';
-import { KetSerializer, MolSerializer, Ketcher, FormatterFactory, StereLabelStyleType, StereoColoringType, Bond as Bond$2, Elements, AtomList, StereoLabel, isAttachmentBond, findStereoAtoms, RxnArrowMode, SimpleObjectMode, SGroup, Pile, getStereoAtomsMap, identifyStructFormat, SupportedFormat, ChemicalMimeType, SdfSerializer, FunctionalGroupsProvider, Render, SaltsAndSolventsProvider, KetcherAsyncEvents, ElementColor, FunctionalGroup, fromAtomsAttrs, fracAngle, Vec2, Action, fromSgroupDeletion, fromFragmentDeletion, fromAtomAddition, fromBondAddition, Atom as Atom$2, fromOneBondDeletion, bondChangingAction, fromBondsAttrs, fromChain, getItemsToFuse, getHoverToFuse, fromItemsFuse, fromStereoFlagUpdate, Scale, checkOverlapping, fromSeveralSgroupAddition, SgContexts, fromSgroupAction, fromSimpleObjectResizing, fromArrowResizing, fromMultipleMove, fromTextDeletion, fromTextUpdating, fromOneAtomDeletion, fromArrowDeletion, fromPlusDeletion, fromSimpleObjectDeletion, fromPaste, RGroup as RGroup$2, fromRGroupFragment, fromUpdateIfThen, fromRGroupAttrs, fromArrowAddition, fromPlusAddition, fromRotate, fromFlip, fromBondAlign, fromSimpleObjectAddition, fromTemplateOnBondAction, fromTemplateOnAtom, fromTemplateOnCanvas, fromTextCreation, formatProperties, Fragment as Fragment$1, OperationType, fromHighlightCreate, fromHighlightClear, fromNewCanvas, Struct, fromDescriptorsAlign, setExpandSGroup, getPropertiesByFormat, StereoFlag, getPropertiesByImgFormat, Generics, TextCommand } from 'ketcher-core';
+import { KetSerializer, MolSerializer, Ketcher, FormatterFactory, StereLabelStyleType, StereoColoringType, Bond as Bond$2, Elements, AtomList, StereoLabel, isAttachmentBond, findStereoAtoms, RxnArrowMode, SimpleObjectMode, SGroup, Pile, getStereoAtomsMap, identifyStructFormat, SupportedFormat, ChemicalMimeType, SdfSerializer, Render, FunctionalGroup, FunctionalGroupsProvider, SaltsAndSolventsProvider, KetcherAsyncEvents, ElementColor, fromAtomsAttrs, fracAngle, Vec2, Action, fromSgroupDeletion, fromFragmentDeletion, fromAtomAddition, fromBondAddition, Atom as Atom$2, fromOneBondDeletion, bondChangingAction, fromBondsAttrs, fromChain, getItemsToFuse, getHoverToFuse, fromItemsFuse, fromStereoFlagUpdate, Scale, checkOverlapping, fromSeveralSgroupAddition, SgContexts, fromSgroupAction, fromSimpleObjectResizing, fromArrowResizing, fromMultipleMove, fromTextDeletion, fromTextUpdating, fromOneAtomDeletion, fromArrowDeletion, fromPlusDeletion, fromSimpleObjectDeletion, fromPaste, RGroup as RGroup$2, fromRGroupFragment, fromUpdateIfThen, fromRGroupAttrs, fromArrowAddition, fromPlusAddition, fromRotate, fromFlip, fromBondAlign, fromSimpleObjectAddition, fromTemplateOnBondAction, fromTemplateOnCanvas, fromTemplateOnAtom, fromTextCreation, formatProperties, Fragment as Fragment$1, OperationType, fromHighlightCreate, fromHighlightClear, fromNewCanvas, Struct, fromDescriptorsAlign, setExpandSGroup, getPropertiesByFormat, StereoFlag, getPropertiesByImgFormat, Generics, TextCommand } from 'ketcher-core';
 import * as React from 'react';
 import React__default, { createRef, Component, useState, useEffect, useRef, useMemo, createElement, forwardRef, useCallback, useLayoutEffect, Fragment as Fragment$2, PureComponent } from 'react';
 import _objectWithoutProperties from '@babel/runtime/helpers/objectWithoutProperties';
@@ -41,9 +41,9 @@ import { isMacOs, isIE } from 'react-device-detect';
 import ReactDOM from 'react-dom';
 import { connect, useDispatch, Provider } from 'react-redux';
 import { combineReducers, createStore as createStore$1, applyMiddleware } from 'redux';
+import _, { throttle as throttle$1, inRange, difference, cloneDeep, isEqual as isEqual$1, range as range$1 } from 'lodash';
 import 'redux-logger';
 import thunk from 'redux-thunk';
-import { throttle as throttle$1, inRange, difference, cloneDeep, isEqual as isEqual$1, range as range$1 } from 'lodash';
 import useResizeObserver from 'use-resize-observer/polyfilled';
 import { useInView } from 'react-intersection-observer';
 import styled from '@emotion/styled';
@@ -3008,7 +3008,7 @@ var zoom = {
 
 var openHelpLink = function openHelpLink() {
   var _window$open;
-  return (_window$open = window.open("https://github.com/epam/ketcher/blob/".concat("v2.8.0-rc.3\n", "/documentation/help.md#ketcher-overview"))) === null || _window$open === void 0 ? void 0 : _window$open.focus();
+  return (_window$open = window.open("https://github.com/epam/ketcher/blob/".concat("v2.8.0-rc.3-dev.2\n", "/documentation/help.md#ketcher-overview"))) === null || _window$open === void 0 ? void 0 : _window$open.focus();
 };
 var help = {
   help: {
@@ -7862,79 +7862,6 @@ var templatesRawData$1 = "Ac\nKetcher 11161713142D 1   1.00000     0.00000     0
 
 function ownKeys$Z(object, enumerableOnly) { var keys = Object.keys(object); if (Object.getOwnPropertySymbols) { var symbols = Object.getOwnPropertySymbols(object); enumerableOnly && (symbols = symbols.filter(function (sym) { return Object.getOwnPropertyDescriptor(object, sym).enumerable; })), keys.push.apply(keys, symbols); } return keys; }
 function _objectSpread$Z(target) { for (var i = 1; i < arguments.length; i++) { var source = null != arguments[i] ? arguments[i] : {}; i % 2 ? ownKeys$Z(Object(source), !0).forEach(function (key) { _defineProperty(target, key, source[key]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(target, Object.getOwnPropertyDescriptors(source)) : ownKeys$Z(Object(source)).forEach(function (key) { Object.defineProperty(target, key, Object.getOwnPropertyDescriptor(source, key)); }); } return target; }
-var initialState$1 = {
-  lib: [],
-  functionalGroupInfo: null,
-  mode: 'fg'
-};
-var functionalGroupsReducer = function functionalGroupsReducer() {
-  var state = arguments.length > 0 && arguments[0] !== undefined ? arguments[0] : initialState$1;
-  var _ref = arguments.length > 1 ? arguments[1] : undefined,
-      type = _ref.type,
-      payload = _ref.payload;
-  switch (type) {
-    case 'FG_INIT':
-      return _objectSpread$Z(_objectSpread$Z({}, state), payload);
-    case 'FG_HIGHLIGHT':
-      return _objectSpread$Z(_objectSpread$Z({}, state), {}, {
-        functionalGroupInfo: payload
-      });
-    default:
-      return state;
-  }
-};
-var initFGroups = function initFGroups(lib) {
-  return {
-    type: 'FG_INIT',
-    payload: {
-      lib: lib
-    }
-  };
-};
-var highlightFGroup = function highlightFGroup(group) {
-  return {
-    type: 'FG_HIGHLIGHT',
-    payload: group
-  };
-};
-function highlightFG(dispatch, group) {
-  dispatch(highlightFGroup(group));
-}
-function initFGTemplates() {
-  return function () {
-    var _ref2 = _asyncToGenerator( _regeneratorRuntime.mark(function _callee(dispatch) {
-      var provider, sdfSerializer, templates, functionalGroups;
-      return _regeneratorRuntime.wrap(function _callee$(_context) {
-        while (1) {
-          switch (_context.prev = _context.next) {
-            case 0:
-              provider = FunctionalGroupsProvider.getInstance();
-              sdfSerializer = new SdfSerializer();
-              templates = sdfSerializer.deserialize(templatesRawData$1);
-              functionalGroups = templates.reduce(function (acc, _ref3) {
-                var struct = _ref3.struct;
-                return [].concat(_toConsumableArray(acc), [struct]);
-              }, []);
-              provider.setFunctionalGroupsList(functionalGroups);
-              dispatch(initFGroups(templates));
-              dispatch(appUpdate({
-                functionalGroups: true
-              }));
-            case 7:
-            case "end":
-              return _context.stop();
-          }
-        }
-      }, _callee);
-    }));
-    return function (_x) {
-      return _ref2.apply(this, arguments);
-    };
-  }();
-}
-
-function ownKeys$Y(object, enumerableOnly) { var keys = Object.keys(object); if (Object.getOwnPropertySymbols) { var symbols = Object.getOwnPropertySymbols(object); enumerableOnly && (symbols = symbols.filter(function (sym) { return Object.getOwnPropertyDescriptor(object, sym).enumerable; })), keys.push.apply(keys, symbols); } return keys; }
-function _objectSpread$Y(target) { for (var i = 1; i < arguments.length; i++) { var source = null != arguments[i] ? arguments[i] : {}; i % 2 ? ownKeys$Y(Object(source), !0).forEach(function (key) { _defineProperty(target, key, source[key]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(target, Object.getOwnPropertyDescriptors(source)) : ownKeys$Y(Object(source)).forEach(function (key) { Object.defineProperty(target, key, Object.getOwnPropertyDescriptor(source, key)); }); } return target; }
 var renderCache = new Map();
 var RenderStruct = function () {
   function RenderStruct() {
@@ -7968,7 +7895,7 @@ var RenderStruct = function () {
         preparedStruct.initNeighbors();
         preparedStruct.setImplicitHydrogen();
         preparedStruct.markFragments();
-        var rnd = new Render(el, _objectSpread$Y({
+        var rnd = new Render(el, _objectSpread$Z({
           autoScale: true
         }, options));
         rnd.setMolecule(preparedStruct);
@@ -8074,6 +8001,136 @@ var getSelectOptionsFromSchema = function getSelectOptionsFromSchema(schema) {
     return options;
   }, []);
 };
+function memoizedDebounce(func) {
+  var delay = arguments.length > 1 && arguments[1] !== undefined ? arguments[1] : 0;
+  var skipArguments = arguments.length > 2 && arguments[2] !== undefined ? arguments[2] : [];
+  var lastArgs;
+  var debouncedFunction = _.debounce(func, delay);
+  var getArgumentsToCompare = function getArgumentsToCompare(args) {
+    return (args === null || args === void 0 ? void 0 : args.filter(function (_, index) {
+      return !skipArguments.includes(index);
+    })) || [];
+  };
+  return function () {
+    var lastArgsToCompare = getArgumentsToCompare(lastArgs);
+    for (var _len = arguments.length, args = new Array(_len), _key = 0; _key < _len; _key++) {
+      args[_key] = arguments[_key];
+    }
+    var argsToCompare = getArgumentsToCompare(args);
+    if (lastArgs && _.isEqual(argsToCompare, lastArgsToCompare)) {
+      return;
+    }
+    lastArgs = args;
+    debouncedFunction.apply(void 0, args);
+  };
+}
+
+var showTooltipTimer = null;
+var TOOLTIP_DELAY = 300;
+function showTooltip(editor, infoPanelData) {
+  editor.event.showInfo.dispatch(null);
+  if (showTooltipTimer) {
+    clearTimeout(showTooltipTimer);
+  }
+  if (infoPanelData) {
+    showTooltipTimer = setTimeout(function () {
+      editor.event.showInfo.dispatch(infoPanelData);
+    }, TOOLTIP_DELAY);
+  }
+}
+function showFunctionalGroupsTooltip(editor) {
+  var infoPanelData = null;
+  var checkFunctionGroupTypes = ['sgroups', 'functionalGroups'];
+  var closestCollapsibleStructures = editor.findItem(event, checkFunctionGroupTypes);
+  if (closestCollapsibleStructures) {
+    var _editor$struct;
+    var sGroup = (_editor$struct = editor.struct()) === null || _editor$struct === void 0 ? void 0 : _editor$struct.sgroups.get(closestCollapsibleStructures.id);
+    if (sGroup && !sGroup.data.expanded) {
+      var groupName = sGroup.data.name;
+      var groupStruct = FunctionalGroup.getFunctionalGroupByName(groupName);
+      infoPanelData = {
+        groupStruct: groupStruct,
+        event: event,
+        sGroup: sGroup
+      };
+    }
+  }
+  showTooltip(editor, infoPanelData);
+}
+
+function ownKeys$Y(object, enumerableOnly) { var keys = Object.keys(object); if (Object.getOwnPropertySymbols) { var symbols = Object.getOwnPropertySymbols(object); enumerableOnly && (symbols = symbols.filter(function (sym) { return Object.getOwnPropertyDescriptor(object, sym).enumerable; })), keys.push.apply(keys, symbols); } return keys; }
+function _objectSpread$Y(target) { for (var i = 1; i < arguments.length; i++) { var source = null != arguments[i] ? arguments[i] : {}; i % 2 ? ownKeys$Y(Object(source), !0).forEach(function (key) { _defineProperty(target, key, source[key]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(target, Object.getOwnPropertyDescriptors(source)) : ownKeys$Y(Object(source)).forEach(function (key) { Object.defineProperty(target, key, Object.getOwnPropertyDescriptor(source, key)); }); } return target; }
+var initialState$1 = {
+  lib: [],
+  functionalGroupInfo: null,
+  mode: 'fg'
+};
+var functionalGroupsReducer = function functionalGroupsReducer() {
+  var state = arguments.length > 0 && arguments[0] !== undefined ? arguments[0] : initialState$1;
+  var _ref = arguments.length > 1 ? arguments[1] : undefined,
+      type = _ref.type,
+      payload = _ref.payload;
+  switch (type) {
+    case 'FG_INIT':
+      return _objectSpread$Y(_objectSpread$Y({}, state), payload);
+    case 'FG_HIGHLIGHT':
+      return _objectSpread$Y(_objectSpread$Y({}, state), {}, {
+        functionalGroupInfo: payload
+      });
+    default:
+      return state;
+  }
+};
+var initFGroups = function initFGroups(lib) {
+  return {
+    type: 'FG_INIT',
+    payload: {
+      lib: lib
+    }
+  };
+};
+var highlightFGroup = function highlightFGroup(group) {
+  return {
+    type: 'FG_HIGHLIGHT',
+    payload: group
+  };
+};
+function notDebouncedHighlightFG(dispatch, group) {
+  dispatch(highlightFGroup(group));
+}
+var highlightFG = memoizedDebounce(notDebouncedHighlightFG, TOOLTIP_DELAY / 3, [0]);
+function initFGTemplates() {
+  return function () {
+    var _ref2 = _asyncToGenerator( _regeneratorRuntime.mark(function _callee(dispatch) {
+      var provider, sdfSerializer, templates, functionalGroups;
+      return _regeneratorRuntime.wrap(function _callee$(_context) {
+        while (1) {
+          switch (_context.prev = _context.next) {
+            case 0:
+              provider = FunctionalGroupsProvider.getInstance();
+              sdfSerializer = new SdfSerializer();
+              templates = sdfSerializer.deserialize(templatesRawData$1);
+              functionalGroups = templates.reduce(function (acc, _ref3) {
+                var struct = _ref3.struct;
+                return [].concat(_toConsumableArray(acc), [struct]);
+              }, []);
+              provider.setFunctionalGroupsList(functionalGroups);
+              dispatch(initFGroups(templates));
+              dispatch(appUpdate({
+                functionalGroups: true
+              }));
+            case 7:
+            case "end":
+              return _context.stop();
+          }
+        }
+      }, _callee);
+    }));
+    return function (_x) {
+      return _ref2.apply(this, arguments);
+    };
+  }();
+}
 
 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";
 
@@ -12041,6 +12098,17 @@ function generateCommonProperties(selectedElements) {
   });
   return resultAtomAttributes;
 }
+function castAtomPropToType(property, value) {
+  var typesMapping = {
+    charge: Number,
+    exactChangeFlag: Number,
+    unsaturatedAtom: Number
+  };
+  if (typesMapping[property]) {
+    return typesMapping[property](value);
+  }
+  return value;
+}
 function updateOnlyChangedProperties(atomId, userChangedAtom, molecule) {
   var unchangedAtom = molecule.atoms.get(atomId);
   var updatedKeys = Object.getOwnPropertyNames(userChangedAtom).filter(function (key) {
@@ -12049,10 +12117,7 @@ function updateOnlyChangedProperties(atomId, userChangedAtom, molecule) {
   return Object.getOwnPropertyNames(unchangedAtom).reduce(function (updatedAtom, key) {
     var isPropertyChanged = updatedKeys.includes(key);
     if (isPropertyChanged) {
-      updatedAtom[key] = userChangedAtom[key];
-      if (key === 'charge') {
-        updatedAtom[key] = Number(updatedAtom[key]);
-      }
+      updatedAtom[key] = castAtomPropToType(key, userChangedAtom[key]);
     } else {
       updatedAtom[key] = unchangedAtom[key];
     }
@@ -14078,12 +14143,12 @@ var TemplateTool = function () {
       }
       var dragCtx = this.dragCtx;
       var ci = dragCtx.item;
-      var pos0 = null;
-      var pos1 = this.editor.render.page2obj(event);
+      var targetPos = null;
+      var eventPos = this.editor.render.page2obj(event);
       var struct = restruct.molecule;
       if (ci && ci.map === 'bonds' && this.mode !== 'fg') {
         var bond = struct.bonds.get(ci.id);
-        var sign = getSign(struct, bond, pos1);
+        var sign = getSign(struct, bond, eventPos);
         if (dragCtx.sign1 * this.template.sign > 0) {
           sign = -sign;
         }
@@ -14105,18 +14170,18 @@ var TemplateTool = function () {
       }
       var extraBond = null;
       if (!ci) {
-        pos0 = dragCtx.xy0;
+        targetPos = dragCtx.xy0;
       } else if (ci.map === 'atoms') {
         var _struct$atoms$get;
-        pos0 = (_struct$atoms$get = struct.atoms.get(ci.id)) === null || _struct$atoms$get === void 0 ? void 0 : _struct$atoms$get.pp;
-        if (pos0) {
-          extraBond = this.mode === 'fg' ? true : Vec2.dist(pos0, pos1) > 1;
+        targetPos = (_struct$atoms$get = struct.atoms.get(ci.id)) === null || _struct$atoms$get === void 0 ? void 0 : _struct$atoms$get.pp;
+        if (targetPos) {
+          extraBond = this.mode === 'fg' ? true : Vec2.dist(targetPos, eventPos) > 1;
         }
       }
-      if (!pos0) {
+      if (!targetPos) {
         return true;
       }
-      var angle = utils.calcAngle(pos0, pos1);
+      var angle = utils.calcAngle(targetPos, eventPos);
       if (!event.ctrlKey) {
         angle = utils.fracAngle(angle, null);
       }
@@ -14135,7 +14200,17 @@ var TemplateTool = function () {
       dragCtx.angle = degrees;
       var action = null;
       var pasteItems;
-      if ((ci === null || ci === void 0 ? void 0 : ci.map) === 'atoms') {
+      if (!ci) {
+        var _this$template, _this$template$molecu;
+        var isAddingFunctionalGroup = (_this$template = this.template) === null || _this$template === void 0 ? void 0 : (_this$template$molecu = _this$template.molecule) === null || _this$template$molecu === void 0 ? void 0 : _this$template$molecu.sgroups.size;
+        if (isAddingFunctionalGroup) {
+          return true;
+        }
+        var _fromTemplateOnCanvas = fromTemplateOnCanvas(restruct, this.template, targetPos, angle);
+        var _fromTemplateOnCanvas2 = _slicedToArray(_fromTemplateOnCanvas, 2);
+        action = _fromTemplateOnCanvas2[0];
+        pasteItems = _fromTemplateOnCanvas2[1];
+      } else if ((ci === null || ci === void 0 ? void 0 : ci.map) === 'atoms') {
         var _fromTemplateOnAtom = fromTemplateOnAtom(restruct, this.template, ci.id, angle, extraBond);
         var _fromTemplateOnAtom2 = _slicedToArray(_fromTemplateOnAtom, 2);
         action = _fromTemplateOnAtom2[0];
@@ -14153,14 +14228,14 @@ var TemplateTool = function () {
   }, {
     key: "mouseup",
     value: function mouseup(event) {
-      var _this = this;
+      var _this = this,
+          _ci;
       var dragCtx = this.dragCtx;
       if (!dragCtx) {
         return true;
       }
       delete this.dragCtx;
       var restruct = this.editor.render.ctab;
-      var sgroups = restruct.sgroups;
       var struct = restruct.molecule;
       var ci = dragCtx.item;
       var functionalGroups = struct.functionalGroups;
@@ -14179,24 +14254,43 @@ var TemplateTool = function () {
       }
       var action;
       var pasteItems = null;
-      var isFunctionalGroupReplace = false;
       if (SGroup.isSaltOrSolvent(this.template.molecule.name)) {
         addSaltsAndSolventsOnCanvasWithoutMerge(restruct, this.template, dragCtx, this.editor);
         return true;
-      } else if ((ci === null || ci === void 0 ? void 0 : ci.map) === 'functionalGroups' && FunctionalGroup.isContractedFunctionalGroup(ci.id, functionalGroups) && this.mode === 'fg') {
-        var sGroup = sgroups.get(ci.id);
+      } else if (((_ci = ci) === null || _ci === void 0 ? void 0 : _ci.map) === 'functionalGroups' && FunctionalGroup.isContractedFunctionalGroup(ci.id, functionalGroups) && this.mode === 'fg') {
+        var closestGroup = this.editor.struct().sgroups.get(ci.id);
+        var isClosestGroupAttached = closestGroup && closestGroup.isGroupAttached(this.editor.struct());
+        if (isClosestGroupAttached) {
+          var groupAttachmentAtomId = this.editor.struct().atoms.find(function (atomId) {
+            var _this$editor$struct$a;
+            return !!((_this$editor$struct$a = _this.editor.struct().atomGetNeighbors(atomId)) !== null && _this$editor$struct$a !== void 0 && _this$editor$struct$a.find(function (neighbor) {
+              return neighbor.aid === closestGroup.getAttAtomId(_this.editor.struct());
+            }));
+          });
+          if (groupAttachmentAtomId !== null) {
+            var _this$editor$struct$a2;
+            var targetPos = ((_this$editor$struct$a2 = this.editor.struct().atoms.get(groupAttachmentAtomId)) === null || _this$editor$struct$a2 === void 0 ? void 0 : _this$editor$struct$a2.pp) || dragCtx.xy0;
+            var eventPos = this.editor.render.page2obj(event);
+            var dist = Vec2.dist(targetPos, eventPos);
+            ci = {
+              map: 'atoms',
+              dist: dist,
+              id: groupAttachmentAtomId
+            };
+          }
+        }
         this.editor.update(fromFragmentDeletion(this.editor.render.ctab, {
-          atoms: _toConsumableArray(SGroup.getAtoms(struct, sGroup === null || sGroup === void 0 ? void 0 : sGroup.item)),
-          bonds: _toConsumableArray(SGroup.getBonds(struct, sGroup === null || sGroup === void 0 ? void 0 : sGroup.item))
+          atoms: _toConsumableArray(SGroup.getAtoms(struct, closestGroup)),
+          bonds: _toConsumableArray(SGroup.getBonds(struct, closestGroup))
         }));
-        isFunctionalGroupReplace = true;
+        if (!isClosestGroupAttached) ci = null;
       }
       if (!dragCtx.action) {
-        if (!ci || isFunctionalGroupReplace) {
-          var _fromTemplateOnCanvas = fromTemplateOnCanvas(restruct, this.template, dragCtx.xy0, 0);
-          var _fromTemplateOnCanvas2 = _slicedToArray(_fromTemplateOnCanvas, 2);
-          action = _fromTemplateOnCanvas2[0];
-          pasteItems = _fromTemplateOnCanvas2[1];
+        if (!ci) {
+          var _fromTemplateOnCanvas3 = fromTemplateOnCanvas(restruct, this.template, dragCtx.xy0, 0);
+          var _fromTemplateOnCanvas4 = _slicedToArray(_fromTemplateOnCanvas3, 2);
+          action = _fromTemplateOnCanvas4[0];
+          pasteItems = _fromTemplateOnCanvas4[1];
           dragCtx.action = action;
         } else if (ci.map === 'atoms') {
           var _restruct$atoms$get;
@@ -14267,9 +14361,9 @@ var TemplateTool = function () {
   return TemplateTool;
 }();
 function addSaltsAndSolventsOnCanvasWithoutMerge(restruct, template, dragCtx, editor) {
-  var _fromTemplateOnCanvas3 = fromTemplateOnCanvas(restruct, template, dragCtx.xy0, 0),
-      _fromTemplateOnCanvas4 = _slicedToArray(_fromTemplateOnCanvas3, 1),
-      action = _fromTemplateOnCanvas4[0];
+  var _fromTemplateOnCanvas5 = fromTemplateOnCanvas(restruct, template, dragCtx.xy0, 0),
+      _fromTemplateOnCanvas6 = _slicedToArray(_fromTemplateOnCanvas5, 1),
+      action = _fromTemplateOnCanvas6[0];
   editor.update(action);
   editor.selection(null);
   editor.hover(null);
@@ -15868,33 +15962,13 @@ var Editor$3 = function () {
     key: "hover",
     value: function hover(ci, newTool, event) {
       var tool = newTool || this._tool;
-      var infoPanelData = null;
       if ('ci' in tool && (!ci || tool.ci.map !== ci.map || tool.ci.id !== ci.id)) {
         setHover(tool.ci, false, this.render);
         delete tool.ci;
       }
       if (ci && setHover(ci, true, this.render)) tool.ci = ci;
       if (!event) return;
-      var checkFunctionGroupTypes = ['sgroups', 'functionalGroups'];
-      var closestCollapsibleStructures = this.findItem(event, checkFunctionGroupTypes);
-      if (closestCollapsibleStructures) {
-        var _this$struct;
-        var sGroup = (_this$struct = this.struct()) === null || _this$struct === void 0 ? void 0 : _this$struct.sgroups.get(closestCollapsibleStructures.id);
-        if (sGroup && !sGroup.data.expanded) {
-          var groupName = sGroup.data.name;
-          var groupStruct = FunctionalGroup.getFunctionalGroupByName(groupName);
-          infoPanelData = {
-            groupStruct: groupStruct,
-            event: event,
-            sGroup: sGroup
-          };
-        }
-      }
-      if (infoPanelData) {
-        this.event.showInfo.dispatch(infoPanelData);
-      } else {
-        this.event.showInfo.dispatch(null);
-      }
+      showFunctionalGroupsTooltip(this);
     }
   }, {
     key: "update",
@@ -17028,7 +17102,6 @@ var classes$C = {"infoPanel":"InfoPanel-module_infoPanel__irvZL"};
 
 function ownKeys$C(object, enumerableOnly) { var keys = Object.keys(object); if (Object.getOwnPropertySymbols) { var symbols = Object.getOwnPropertySymbols(object); enumerableOnly && (symbols = symbols.filter(function (sym) { return Object.getOwnPropertyDescriptor(object, sym).enumerable; })), keys.push.apply(keys, symbols); } return keys; }
 function _objectSpread$C(target) { for (var i = 1; i < arguments.length; i++) { var source = null != arguments[i] ? arguments[i] : {}; i % 2 ? ownKeys$C(Object(source), !0).forEach(function (key) { _defineProperty(target, key, source[key]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(target, Object.getOwnPropertyDescriptors(source)) : ownKeys$C(Object(source)).forEach(function (key) { Object.defineProperty(target, key, Object.getOwnPropertyDescriptor(source, key)); }); } return target; }
-var HOVER_DELAY = 400;
 var HOVER_PANEL_PADDING = 20;
 function getSGroupFirstAtom(sGroup, render) {
   var _render$ctab$atoms, _render$ctab$atoms$ge;
@@ -17076,10 +17149,8 @@ function getPanelPosition(clientX, clientY, render, sGroup) {
 }
 var InfoPanel = function InfoPanel(props) {
   var _sGroup$data;
-  var _props$clientX = props.clientX,
-      clientX = _props$clientX === void 0 ? 0 : _props$clientX,
-      _props$clientY = props.clientY,
-      clientY = _props$clientY === void 0 ? 0 : _props$clientY,
+  var clientX = props.clientX,
+      clientY = props.clientY,
       render = props.render,
       className = props.className,
       groupStruct = props.groupStruct,
@@ -17103,18 +17174,11 @@ var InfoPanel = function InfoPanel(props) {
     }
   }, [groupStruct, sGroup]);
   useEffect(function () {
-    var timer;
-    if (groupStruct) {
-      timer = setTimeout(function () {
-        setMolecule(groupStruct.clone());
-      }, HOVER_DELAY);
-    } else {
-      setMolecule(null);
-    }
-    return function () {
-      return clearTimeout(timer);
-    };
+    setMolecule(groupStruct ? groupStruct.clone() : null);
   }, [groupName, groupStruct]);
+  if (!molecule && !sGroupData || clientX === undefined || clientY === undefined) {
+    return null;
+  }
   var _getPanelPosition = getPanelPosition(clientX, clientY, render, sGroup),
       _getPanelPosition2 = _slicedToArray(_getPanelPosition, 2),
       position = _getPanelPosition2[0],
@@ -17123,9 +17187,6 @@ var InfoPanel = function InfoPanel(props) {
       y = position.y;
   var width = size.x;
   var height = size.y;
-  if (!molecule && !sGroupData) {
-    return null;
-  }
   return molecule ? jsx("div", {
     style: {
       left: x + 'px',
@@ -17158,8 +17219,8 @@ var InfoPanel = function InfoPanel(props) {
 var InfoPanel$1 = connect(function (store) {
   var _functionGroupInfoSel, _functionGroupInfoSel2, _functionGroupInfoSel3, _functionGroupInfoSel4, _functionGroupInfoSel5, _functionGroupInfoSel6, _store$editor, _store$editor$render, _store$editor$render$;
   return {
-    clientX: ((_functionGroupInfoSel = functionGroupInfoSelector(store)) === null || _functionGroupInfoSel === void 0 ? void 0 : (_functionGroupInfoSel2 = _functionGroupInfoSel.event) === null || _functionGroupInfoSel2 === void 0 ? void 0 : _functionGroupInfoSel2.clientX) || 0,
-    clientY: ((_functionGroupInfoSel3 = functionGroupInfoSelector(store)) === null || _functionGroupInfoSel3 === void 0 ? void 0 : (_functionGroupInfoSel4 = _functionGroupInfoSel3.event) === null || _functionGroupInfoSel4 === void 0 ? void 0 : _functionGroupInfoSel4.clientY) || 0,
+    clientX: (_functionGroupInfoSel = functionGroupInfoSelector(store)) === null || _functionGroupInfoSel === void 0 ? void 0 : (_functionGroupInfoSel2 = _functionGroupInfoSel.event) === null || _functionGroupInfoSel2 === void 0 ? void 0 : _functionGroupInfoSel2.clientX,
+    clientY: (_functionGroupInfoSel3 = functionGroupInfoSelector(store)) === null || _functionGroupInfoSel3 === void 0 ? void 0 : (_functionGroupInfoSel4 = _functionGroupInfoSel3.event) === null || _functionGroupInfoSel4 === void 0 ? void 0 : _functionGroupInfoSel4.clientY,
     groupStruct: ((_functionGroupInfoSel5 = functionGroupInfoSelector(store)) === null || _functionGroupInfoSel5 === void 0 ? void 0 : _functionGroupInfoSel5.groupStruct) || null,
     sGroup: ((_functionGroupInfoSel6 = functionGroupInfoSelector(store)) === null || _functionGroupInfoSel6 === void 0 ? void 0 : _functionGroupInfoSel6.sGroup) || null,
     render: (_store$editor = store.editor) === null || _store$editor === void 0 ? void 0 : (_store$editor$render = _store$editor.render) === null || _store$editor$render === void 0 ? void 0 : (_store$editor$render$ = _store$editor$render.ctab) === null || _store$editor$render$ === void 0 ? void 0 : _store$editor$render$.render
@@ -22566,7 +22627,7 @@ function useSaltsAndSolvents(saltsAndSolvents, filter) {
 }
 
 var _excluded$1 = ["children", "value", "index"],
-    _excluded2 = ["filter", "onFilter", "onTabChange", "onChangeGroup", "mode", "tab", "functionalGroups", "lib", "saltsAndSolvents", "onSelect"];
+    _excluded2 = ["filter", "onFilter", "onTabChange", "onChangeGroup", "mode", "tab", "initialTab", "functionalGroups", "lib", "saltsAndSolvents", "onSelect"];
 function ownKeys$4(object, enumerableOnly) { var keys = Object.keys(object); if (Object.getOwnPropertySymbols) { var symbols = Object.getOwnPropertySymbols(object); enumerableOnly && (symbols = symbols.filter(function (sym) { return Object.getOwnPropertyDescriptor(object, sym).enumerable; })), keys.push.apply(keys, symbols); } return keys; }
 function _objectSpread$4(target) { for (var i = 1; i < arguments.length; i++) { var source = null != arguments[i] ? arguments[i] : {}; i % 2 ? ownKeys$4(Object(source), !0).forEach(function (key) { _defineProperty(target, key, source[key]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(target, Object.getOwnPropertyDescriptors(source)) : ownKeys$4(Object(source)).forEach(function (key) { Object.defineProperty(target, key, Object.getOwnPropertyDescriptor(source, key)); }); } return target; }
 function TabPanel(props) {
@@ -22644,21 +22705,27 @@ var TemplateDialog = function TemplateDialog(props) {
       onChangeGroup = props.onChangeGroup;
       props.mode;
       var tab = props.tab,
+      _props$initialTab = props.initialTab,
+      initialTab = _props$initialTab === void 0 ? null : _props$initialTab,
       functionalGroups = props.functionalGroups,
       templateLib = props.lib,
       saltsAndSolvents = props.saltsAndSolvents,
       onSelect = props.onSelect,
       rest = _objectWithoutProperties(props, _excluded2);
   var searchInputRef = useRef(null);
-  var _useState = useState([props.group]),
+  var _useState = useState(initialTab),
       _useState2 = _slicedToArray(_useState, 2),
-      expandedAccordions = _useState2[0],
-      setExpandedAccordions = _useState2[1];
-  var filteredSaltsAndSolvents = useSaltsAndSolvents(saltsAndSolvents, filter);
-  var _useState3 = useState(functionalGroups[FUNCTIONAL_GROUPS]),
+      thisInitialTab = _useState2[0],
+      setThisInitialTab = _useState2[1];
+  var _useState3 = useState([props.group]),
       _useState4 = _slicedToArray(_useState3, 2),
-      filteredFG = _useState4[0],
-      setFilteredFG = _useState4[1];
+      expandedAccordions = _useState4[0],
+      setExpandedAccordions = _useState4[1];
+  var filteredSaltsAndSolvents = useSaltsAndSolvents(saltsAndSolvents, filter);
+  var _useState5 = useState(functionalGroups[FUNCTIONAL_GROUPS]),
+      _useState6 = _slicedToArray(_useState5, 2),
+      filteredFG = _useState6[0],
+      setFilteredFG = _useState6[1];
   var filteredTemplateLib = filterLibSelector(props);
   useEffect(function () {
     setFilteredFG(filterFGLib(functionalGroups, filter)[FUNCTIONAL_GROUPS]);
@@ -22675,6 +22742,10 @@ var TemplateDialog = function TemplateDialog(props) {
       }));
     };
   };
+  var handleTabChange = function handleTabChange(value) {
+    setThisInitialTab(null);
+    onTabChange(value);
+  };
   var sdfSerializer = new SdfSerializer();
   var serializerMapper = (_serializerMapper = {}, _defineProperty(_serializerMapper, TemplateTabs.TemplateLibrary, templateLib), _defineProperty(_serializerMapper, TemplateTabs.FunctionalGroupLibrary, functionalGroups), _defineProperty(_serializerMapper, TemplateTabs.SaltsAndSolvents, saltsAndSolvents), _serializerMapper);
   var data = sdfSerializer.serialize(serializerMapper[tab]);
@@ -22709,9 +22780,9 @@ var TemplateDialog = function TemplateDialog(props) {
         className: classes$8.searchIcon
       })]
     }), jsxs(Tabs$1, {
-      value: tab,
+      value: thisInitialTab !== null ? initialTab : tab,
       onChange: function onChange(_, value) {
-        return onTabChange(value);
+        return handleTabChange(value);
       },
       className: classes$8.tabs,
       children: [jsx(Tab, _objectSpread$4({
@@ -23591,8 +23662,8 @@ var KetcherBuilder = function () {
                   initApp(element, staticResourcesUrl, {
                     buttons: buttons || {},
                     errorHandler: errorHandler || null,
-                    version: "2.8.0-rc.3" ,
-                    buildDate: "2023-02-15T12:49:59" ,
+                    version: "2.8.0-rc.3-dev.2" ,
+                    buildDate: "2023-02-22T07:23:07" ,
                     buildNumber: ''
                   }, structService, resolve);
                 });