ketcher-react 2.21.0-rc.2 → 2.22.0-rc.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$2 from '@babel/runtime/helpers/classCallCheck';
 import _createClass$2 from '@babel/runtime/helpers/createClass';
-import { KetSerializer, MolSerializer, KetcherLogger, Ketcher, defaultBondThickness, FormatterFactory, isClipboardAPIAvailable, notifyCopyCut, notifyRequestCompleted, isControlKey, StereLabelStyleType, StereoColoringType, ShowHydrogenLabels, ShowHydrogenLabelNames, SettingsManager, SdfSerializer, KETCHER_SAVED_OPTIONS_KEY, Bond as Bond$2, Elements, AtomList, getAtomType, StereoLabel, isAttachmentBond, Atom as Atom$2, findStereoAtoms, RxnArrowMode, SimpleObjectMode, SGroup as SGroup$1, Pile, getStereoAtomsMap, identifyStructFormat, SupportedFormat, ChemicalMimeType, RenderStruct, Struct, shortcutStr, MonomerMicromolecule, FunctionalGroupsProvider, SaltsAndSolventsProvider, KetcherAsyncEvents, ElementColor, generateMenuShortcuts, Vec2, Scale, fromMultipleMove, FunctionalGroup, fromSgroupDeletion, fromFragmentDeletion, mergeMapOfItemsToSet, vectorUtils, fromBondAddition, Action, fromAtomAddition, fromAtomsAttrs, checkOverlapping, fromSeveralSgroupAddition, expandSGroupWithMultipleAttachmentPoint, SgContexts, fromSgroupAction, fromItemsFuse, ReBond, setExpandSGroup, fromBondsAttrs, OperationType, ReStruct, fromSimpleObjectResizing, fromArrowResizing, getItemsToFuse, getHoverToFuse, fromTextDeletion, fromTextUpdating, CoordinateTransformation, fromTemplateOnCanvas, fromTemplateOnBondAction, fromTemplateOnAtom, BondAttr, AtomAttr, formatProperties, ketcherProvider, runAsyncAction, getStructStringFromClipboardData, getStructure, initHotKeys, keyNorm, Fragment as Fragment$1, fromRGroupAttachmentPointUpdate, fromOneBondDeletion, bondChangingAction, fromChain, fromStereoFlagUpdate, fromOneAtomDeletion, fromArrowDeletion, fromPlusDeletion, fromSimpleObjectDeletion, fromRGroupAttachmentPointDeletion, notifyItemsToMergeInitializationComplete, fromPaste, RGroup as RGroup$2, fromRGroupFragment, fromUpdateIfThen, fromRGroupAttrs, fromArrowAddition, fromPlusAddition, fromRotate, fromFlip, fromSimpleObjectAddition, fromTextCreation, fromHighlightCreate, fromHighlightClear, provideEditorSettings, fromNewCanvas, Render, fromDescriptorsAlign, atomGetAttr, genericsList, getAtomCustomQuery, getFormatMimeTypeByFileName, getPropertiesByFormat, StereoFlag, getPropertiesByImgFormat, b64toBlob, Generics, TextCommand, DefaultStructServiceOptions } from 'ketcher-core';
+import { KetSerializer, MolSerializer, KetcherLogger, Ketcher, defaultBondThickness, FormatterFactory, isClipboardAPIAvailable, notifyCopyCut, notifyRequestCompleted, isControlKey, StereLabelStyleType, StereoColoringType, ShowHydrogenLabels, ShowHydrogenLabelNames, SettingsManager, SdfSerializer, KETCHER_SAVED_OPTIONS_KEY, Bond as Bond$2, Elements, AtomList, getAtomType, StereoLabel, isAttachmentBond, Atom as Atom$2, findStereoAtoms, RxnArrowMode, SimpleObjectMode, SGroup as SGroup$1, Pile, getStereoAtomsMap, identifyStructFormat, SupportedFormat, ChemicalMimeType, RenderStruct, Struct, shortcutStr, MonomerMicromolecule, FunctionalGroupsProvider, SaltsAndSolventsProvider, KetcherAsyncEvents, ElementColor, generateMenuShortcuts, Vec2, Scale, fromMultipleMove, FunctionalGroup, fromSgroupDeletion, fromFragmentDeletion, mergeMapOfItemsToSet, vectorUtils, fromBondAddition, Action, fromAtomAddition, fromAtomsAttrs, checkOverlapping, fromSeveralSgroupAddition, expandSGroupWithMultipleAttachmentPoint, SgContexts, fromSgroupAction, fromItemsFuse, ReBond, setExpandSGroup, fromBondsAttrs, OperationType, ReStruct, fromSimpleObjectResizing, fromArrowResizing, getItemsToFuse, getHoverToFuse, fromTextDeletion, fromTextUpdating, CoordinateTransformation, fromTemplateOnCanvas, fromTemplateOnBondAction, fromTemplateOnAtom, BondAttr, AtomAttr, formatProperties, ketcherProvider, runAsyncAction, getStructStringFromClipboardData, getStructure, initHotKeys, keyNorm, Fragment as Fragment$1, fromRGroupAttachmentPointUpdate, fromOneBondDeletion, bondChangingAction, fromChain, fromStereoFlagUpdate, fromOneAtomDeletion, fromArrowDeletion, fromPlusDeletion, fromSimpleObjectDeletion, fromRGroupAttachmentPointDeletion, notifyItemsToMergeInitializationComplete, fromPaste, RGroup as RGroup$2, fromRGroupFragment, fromUpdateIfThen, fromRGroupAttrs, fromArrowAddition, fromPlusAddition, fromRotate, fromFlip, fromSimpleObjectAddition, fromTextCreation, fromHighlightCreate, fromHighlightClear, provideEditorSettings, fromNewCanvas, Render, fromDescriptorsAlign, fromSgroupAddition, SGroupAttachmentPoint, fromSgroupAttachmentPointAddition, atomGetAttr, genericsList, getAtomCustomQuery, getFormatMimeTypeByFileName, getPropertiesByFormat, StereoFlag, getPropertiesByImgFormat, b64toBlob, Generics, TextCommand, DefaultStructServiceOptions } from 'ketcher-core';
 import * as React from 'react';
 import React__default, { createRef, Component, useRef, useEffect, useLayoutEffect, useState, useMemo, createElement, forwardRef, useCallback, Fragment as Fragment$2, PureComponent, lazy, Suspense } from 'react';
 import _objectWithoutProperties from '@babel/runtime/helpers/objectWithoutProperties';
@@ -36,6 +36,7 @@ import _typeof$3 from '@babel/runtime/helpers/typeof';
 import Ajv from 'ajv';
 import { pick, range as range$1, capitalize, without, omit, findLastIndex, findIndex, isEmpty, pickBy, isEqual, escapeRegExp, flow, filter, reduce, throttle, xor, debounce, upperFirst } from 'lodash/fp';
 import _toConsumableArray from '@babel/runtime/helpers/toConsumableArray';
+import _, { isNumber, throttle as throttle$1, debounce as debounce$1, intersection, difference, cloneDeep, isEqual as isEqual$1, capitalize as capitalize$1, range as range$2, isEmpty as isEmpty$1, uniqBy } from 'lodash';
 import styled from '@emotion/styled';
 import _taggedTemplateLiteral from '@babel/runtime/helpers/taggedTemplateLiteral';
 import * as KN from 'w3c-keyname';
@@ -43,7 +44,6 @@ import _slicedToArray$1 from '@babel/runtime/helpers/slicedToArray';
 import ReactDOM, { createPortal } from 'react-dom';
 import { connect, useDispatch, useSelector, Provider } from 'react-redux';
 import { combineReducers, createStore as createStore$1, applyMiddleware } from 'redux';
-import _, { throttle as throttle$1, debounce as debounce$1, intersection, difference, cloneDeep, isEqual as isEqual$1, capitalize as capitalize$1, range as range$2, isEmpty as isEmpty$1, uniqBy } from 'lodash';
 import * as CFB from 'cfb';
 import require$$0$2 from 'util';
 import 'redux-logger';
@@ -620,8 +620,8 @@ function exec(action) {
   return enabled;
 }
 
-function ownKeys$1o(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$1o(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1o(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1o(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$1p(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$1p(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1p(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1p(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 var editor = {
   resetToSelect: {
     title: 'Reset to Select Tool',
@@ -876,7 +876,7 @@ var optionsSchema = {
   title: 'Settings',
   type: 'object',
   required: [],
-  properties: _objectSpread$1o(_objectSpread$1o(_objectSpread$1o(_objectSpread$1o(_objectSpread$1o({}, editor), render), server), debug), miew)
+  properties: _objectSpread$1p(_objectSpread$1p(_objectSpread$1p(_objectSpread$1p(_objectSpread$1p({}, editor), render), server), debug), miew)
 };
 function getDefaultOptions() {
   if (!optionsSchema.properties) return {};
@@ -1059,8 +1059,8 @@ function prefetchRender(tmpls, baseUrl, cacheEl) {
   });
 }
 
-function ownKeys$1n(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$1n(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1n(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1n(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$1o(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$1o(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1o(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1o(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 var initOptionsState = {
   app: {
     server: false,
@@ -1158,29 +1158,29 @@ function optionsReducer() {
   var action = arguments.length > 1 ? arguments[1] : undefined;
   var type = action.type,
     data = action.data;
-  if (type === 'APP_OPTIONS') return _objectSpread$1n(_objectSpread$1n({}, state), {}, {
-    app: _objectSpread$1n(_objectSpread$1n({}, state.app), data)
+  if (type === 'APP_OPTIONS') return _objectSpread$1o(_objectSpread$1o({}, state), {}, {
+    app: _objectSpread$1o(_objectSpread$1o({}, state.app), data)
   });
   if (type === 'SAVE_SETTINGS') {
-    return _objectSpread$1n(_objectSpread$1n({}, state), {}, {
-      settings: _objectSpread$1n(_objectSpread$1n({}, state.settings), data)
+    return _objectSpread$1o(_objectSpread$1o({}, state), {}, {
+      settings: _objectSpread$1o(_objectSpread$1o({}, state.settings), data)
     });
   }
-  if (type === 'SAVE_CHECK_OPTS') return _objectSpread$1n(_objectSpread$1n({}, state), {}, {
+  if (type === 'SAVE_CHECK_OPTS') return _objectSpread$1o(_objectSpread$1o({}, state), {}, {
     check: data
   });
-  if (type === 'CHANGE_ANALYSE') return _objectSpread$1n(_objectSpread$1n({}, state), {}, {
-    analyse: _objectSpread$1n(_objectSpread$1n(_objectSpread$1n({}, state.analyse), data), {}, {
+  if (type === 'CHANGE_ANALYSE') return _objectSpread$1o(_objectSpread$1o({}, state), {}, {
+    analyse: _objectSpread$1o(_objectSpread$1o(_objectSpread$1o({}, state.analyse), data), {}, {
       loading: false
     })
   });
-  if (type === 'ANALYSE_LOADING') return _objectSpread$1n(_objectSpread$1n({}, state), {}, {
-    analyse: _objectSpread$1n(_objectSpread$1n({}, state.analyse), {}, {
+  if (type === 'ANALYSE_LOADING') return _objectSpread$1o(_objectSpread$1o({}, state), {}, {
+    analyse: _objectSpread$1o(_objectSpread$1o({}, state.analyse), {}, {
       loading: true
     })
   });
-  if (recognizeActions.includes(type)) return _objectSpread$1n(_objectSpread$1n({}, state), {}, {
-    recognize: _objectSpread$1n(_objectSpread$1n({}, state.recognize), data)
+  if (recognizeActions.includes(type)) return _objectSpread$1o(_objectSpread$1o({}, state), {}, {
+    recognize: _objectSpread$1o(_objectSpread$1o({}, state.recognize), data)
   });
   return state;
 }
@@ -1484,8 +1484,8 @@ function getSdataDefault() {
   return schema[context][fieldName] ? schema[context][fieldName].properties.fieldValue["default"] : '';
 }
 
-function ownKeys$1m(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$1m(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1m(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1m(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$1n(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$1n(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1n(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1n(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 var initSdata = function initSdata(schema) {
   var isCustomShema = schema.key === 'Custom';
   var context = isCustomShema ? getSdataDefault(sdataCustomSchema, 'context') : getSdataDefault(sdataSchema);
@@ -1523,7 +1523,7 @@ var onContextChange = function onContextChange(state, payload) {
   var fValue = fieldValue;
   if (fValue === state.result.fieldValue) fValue = getSdataDefault(sdataCustomSchema, 'fieldValue');
   return {
-    result: _objectSpread$1m(_objectSpread$1m({}, payload), {}, {
+    result: _objectSpread$1n(_objectSpread$1n({}, payload), {}, {
       context: context,
       fieldName: fieldName,
       fieldValue: fValue
@@ -1537,7 +1537,7 @@ var onFieldNameChange = function onFieldNameChange(state, payload) {
   if (sdataSchema[context][fieldName]) fieldValue = getSdataDefault(sdataSchema, context, fieldName);
   if (fieldValue === state.result.fieldValue && sdataSchema[context][state.result.fieldName]) fieldValue = '';
   return {
-    result: _objectSpread$1m(_objectSpread$1m({}, payload), {}, {
+    result: _objectSpread$1n(_objectSpread$1n({}, payload), {}, {
       fieldName: fieldName,
       fieldValue: fieldValue
     })
@@ -1545,7 +1545,7 @@ var onFieldNameChange = function onFieldNameChange(state, payload) {
 };
 function sdataReducer(state, action) {
   if (action.data.result.init) {
-    return correctErrors(_objectSpread$1m(_objectSpread$1m({}, state), {}, {
+    return correctErrors(_objectSpread$1n(_objectSpread$1n({}, state), {}, {
       result: Object.assign({}, state.result, action.data.result)
     }), action.data);
   }
@@ -1553,7 +1553,7 @@ function sdataReducer(state, action) {
   var actionFieldName = action.data.result.fieldName;
   var newstate = null;
   if (actionContext !== state.result.context) newstate = onContextChange(state, action.data.result);else if (actionFieldName !== state.result.fieldName) newstate = onFieldNameChange(state, action.data.result);
-  newstate = newstate || _objectSpread$1m(_objectSpread$1m({}, state), {}, {
+  newstate = newstate || _objectSpread$1n(_objectSpread$1n({}, state), {}, {
     result: Object.assign({}, state.result, action.data.result)
   });
   return correctErrors(newstate, action.data);
@@ -1693,8 +1693,8 @@ function formReducer(state, action) {
 var INDIGO_VERIFICATION = 'INDIGO_VERIFICATION';
 var ANALYZING_FILE = 'ANALYZING_FILE';
 
-function ownKeys$1l(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$1l(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1l(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1l(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$1m(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$1m(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1m(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1m(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 function indigoVerification(data) {
   return {
     type: INDIGO_VERIFICATION,
@@ -1719,13 +1719,13 @@ function requestReducer () {
   switch (type) {
     case INDIGO_VERIFICATION:
       {
-        return _objectSpread$1l(_objectSpread$1l({}, state), {}, {
+        return _objectSpread$1m(_objectSpread$1m({}, state), {}, {
           indigoVerification: data
         });
       }
     case ANALYZING_FILE:
       {
-        return _objectSpread$1l(_objectSpread$1l({}, state), {}, {
+        return _objectSpread$1m(_objectSpread$1m({}, state), {}, {
           isAnalyzingFile: data
         });
       }
@@ -1743,8 +1743,8 @@ var supportedSGroupTypes = {
   queryComponent: 'queryComponent'
 };
 
-function ownKeys$1k(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$1k(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1k(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1k(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$1l(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$1l(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1l(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1l(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 var atom = {
   title: 'Atom',
   type: 'object',
@@ -1785,7 +1785,7 @@ var atom = {
     charge: {
       title: 'Charge',
       type: 'string',
-      pattern: '^([+-]?)([0-9]{1,3})([+-]?)$',
+      pattern: '^([+-]?)(1[0-5]|0|[0-9])([+-]?)$',
       maxLength: 4,
       "default": '',
       invalidMessage: 'Invalid charge value'
@@ -1976,7 +1976,7 @@ var sgroup = {
   title: 'SGroup',
   type: 'object',
   required: ['type'],
-  oneOf: [_objectSpread$1k({}, sdataCustomSchema), {
+  oneOf: [_objectSpread$1l({}, sdataCustomSchema), {
     key: 'MUL',
     title: 'Multiple group',
     type: 'object',
@@ -2081,14 +2081,19 @@ var attachSchema = {
   }
 };
 
+function matchCharge(charge) {
+  var regex = new RegExp(atom.properties.charge.pattern);
+  return regex.exec(charge);
+}
+
 var _excluded$z = ["aromaticity", "ringMembership", "ringSize", "connectivity", "chirality", "customQuery"],
   _excluded2$7 = ["type", "radiobuttons"];
-function ownKeys$1j(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$1j(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1j(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1j(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$1k(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$1k(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1k(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1k(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 var DefaultStereoGroupNumber = 1;
 function fromElement(selem) {
   if (selem.label === 'R#') {
-    return _objectSpread$1j({
+    return _objectSpread$1k({
       type: 'rlabel',
       values: fromRlabel(selem.rglabel)
     }, selem);
@@ -2181,21 +2186,21 @@ function fromAtom(satom) {
     customQuery: satom.queryProperties.customQuery === null ? '' : satom.queryProperties.customQuery.toString()
   };
 }
-function toAtom(atom$1) {
+function toAtom(atom) {
   var _restAtom$exactChange, _restAtom$unsaturated;
-  var _atom$aromaticity = atom$1.aromaticity,
+  var _atom$aromaticity = atom.aromaticity,
     aromaticity = _atom$aromaticity === void 0 ? null : _atom$aromaticity,
-    _atom$ringMembership = atom$1.ringMembership,
+    _atom$ringMembership = atom.ringMembership,
     ringMembership = _atom$ringMembership === void 0 ? null : _atom$ringMembership,
-    _atom$ringSize = atom$1.ringSize,
+    _atom$ringSize = atom.ringSize,
     ringSize = _atom$ringSize === void 0 ? null : _atom$ringSize,
-    _atom$connectivity = atom$1.connectivity,
+    _atom$connectivity = atom.connectivity,
     connectivity = _atom$connectivity === void 0 ? null : _atom$connectivity,
-    _atom$chirality = atom$1.chirality,
+    _atom$chirality = atom.chirality,
     chirality = _atom$chirality === void 0 ? null : _atom$chirality,
-    _atom$customQuery = atom$1.customQuery,
+    _atom$customQuery = atom.customQuery,
     customQuery = _atom$customQuery === void 0 ? '' : _atom$customQuery,
-    restAtom = _objectWithoutProperties(atom$1, _excluded$z);
+    restAtom = _objectWithoutProperties(atom, _excluded$z);
   if (customQuery && customQuery !== '') {
     return Object.assign({}, restAtom, {
       label: 'A',
@@ -2224,12 +2229,11 @@ function toAtom(atom$1) {
       exactChangeFlag: 0
     });
   }
-  var chargeRegexp = new RegExp(atom.properties.charge.pattern);
-  var pch = chargeRegexp.exec(restAtom.charge);
+  var pch = matchCharge(restAtom.charge);
   var charge = pch ? parseInt(pch[1] + pch[3] + pch[2]) : restAtom.charge;
   var conv = Object.assign({}, restAtom, {
     isotope: restAtom.isotope ? Number(restAtom.isotope) : null,
-    charge: restAtom.charge ? Number(charge) : null,
+    charge: restAtom.charge && charge !== 0 ? Number(charge) : null,
     alias: restAtom.alias || null,
     exactChangeFlag: +((_restAtom$exactChange = restAtom.exactChangeFlag) !== null && _restAtom$exactChange !== void 0 ? _restAtom$exactChange : false),
     unsaturatedAtom: +((_restAtom$unsaturated = restAtom.unsaturatedAtom) !== null && _restAtom$unsaturated !== void 0 ? _restAtom$unsaturated : false),
@@ -2345,7 +2349,7 @@ function fromBond(sbond) {
 }
 function toBond(bond) {
   var isCustomQuery = bond.customQuery !== '';
-  return _objectSpread$1j({
+  return _objectSpread$1k({
     topology: bond.topology,
     reactingCenterStatus: bond.center,
     customQuery: !isCustomQuery ? null : bond.customQuery
@@ -2441,7 +2445,7 @@ function toSgroup(sgroup) {
   var type = sgroup.type,
     radiobuttons = sgroup.radiobuttons,
     props = _objectWithoutProperties(sgroup, _excluded2$7);
-  var attrs = _objectSpread$1j({}, props);
+  var attrs = _objectSpread$1k({}, props);
   var absolute = 'absolute';
   var attached = 'attached';
   switch (radiobuttons) {
@@ -2996,8 +3000,8 @@ var tools = typeSchema$1["enum"].reduce(function (res, type, i) {
 
 var _excluded$y = ["rescale", "fragment"],
   _excluded2$6 = ["isPaste", "method"];
-function ownKeys$1i(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$1i(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1i(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1i(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$1j(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$1j(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1j(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1j(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 function onAction(action) {
   if (action && action.dialog) {
     return {
@@ -3057,7 +3061,7 @@ var getSelectionFromStruct = function getSelectionFromStruct(struct) {
 function load(struct, options) {
   return function () {
     var _ref = _asyncToGenerator( _regeneratorRuntime.mark(function _callee(dispatch, getState) {
-      var state, editor, server, errorHandler, _options2, isPaste, method, otherOptions, parsedStruct, _otherOptions, fragment, hasUnsupportedGroups, oldStruct, stereAtomsMap, isIndigoFunctionCalled;
+      var state, editor, server, errorHandler, _options2, isPaste, method, otherOptions, parsedStruct, _otherOptions, fragment, hasUnsupportedGroups, hasMoleculeToMonomerConnections, oldStruct, stereAtomsMap, isIndigoFunctionCalled;
       return _regeneratorRuntime.wrap(function _callee$(_context) {
         while (1) switch (_context.prev = _context.next) {
           case 0:
@@ -3067,7 +3071,7 @@ function load(struct, options) {
             errorHandler = editor.errorHandler;
             options = options || {};
             _options2 = options, isPaste = _options2.isPaste, method = _options2.method, otherOptions = _objectWithoutProperties(_options2, _excluded2$6);
-            otherOptions = _objectSpread$1i(_objectSpread$1i({}, otherOptions), {}, {
+            otherOptions = _objectSpread$1j(_objectSpread$1j({}, otherOptions), {}, {
               'dearomatize-on-load': editor.options()['dearomatize-on-load'],
               ignoreChiralFlag: editor.options().ignoreChiralFlag
             });
@@ -3081,18 +3085,23 @@ function load(struct, options) {
             hasUnsupportedGroups = parsedStruct.sgroups.some(function (sGroup) {
               return !supportedSGroupTypes[sGroup.type];
             });
+            hasMoleculeToMonomerConnections = parsedStruct.bonds.find(function (_, bond) {
+              return isNumber(bond.beginSuperatomAttachmentPointNumber) || isNumber(bond.endSuperatomAttachmentPointNumber);
+            });
             if (!hasUnsupportedGroups) {
-              _context.next = 18;
+              _context.next = 19;
               break;
             }
-            _context.next = 17;
+            _context.next = 18;
             return editor.event.confirm.dispatch();
-          case 17:
+          case 18:
             parsedStruct.sgroups = parsedStruct.sgroups.filter(function (_key, sGroup) {
               return supportedSGroupTypes[sGroup.type];
             });
-          case 18:
-            parsedStruct.rescale();
+          case 19:
+            if (!hasMoleculeToMonomerConnections) {
+              parsedStruct.rescale();
+            }
             if (editor.struct().atoms.size) {
               oldStruct = editor.struct().clone();
               parsedStruct.sgroups.forEach(function (sg, sgId) {
@@ -3146,23 +3155,23 @@ function load(struct, options) {
             dispatch({
               type: 'MODAL_CLOSE'
             });
-            _context.next = 40;
+            _context.next = 41;
             break;
-          case 35:
-            _context.prev = 35;
+          case 36:
+            _context.prev = 36;
             _context.t0 = _context["catch"](8);
             KetcherLogger.error('shared.ts::load', _context.t0);
             dispatch(setAnalyzingFile(false));
             _context.t0 && errorHandler && errorHandler(_context.t0.message);
-          case 40:
-            _context.prev = 40;
+          case 41:
+            _context.prev = 41;
             notifyRequestCompleted();
-            return _context.finish(40);
-          case 43:
+            return _context.finish(41);
+          case 44:
           case "end":
             return _context.stop();
         }
-      }, _callee, null, [[8, 35, 40, 43]]);
+      }, _callee, null, [[8, 36, 41, 44]]);
     }));
     return function (_x, _x2) {
       return _ref.apply(this, arguments);
@@ -3192,8 +3201,8 @@ function openInfoModalWithCustomMessage(message) {
   };
 }
 
-function ownKeys$1h(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$1h(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1h(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1h(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$1i(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$1i(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1i(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1i(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 function checkServer() {
   return function (dispatch, getState) {
     var _getState = getState(),
@@ -3334,7 +3343,7 @@ function serverCall(editor, server, method, options, struct) {
     resetStereoFlagsPosition(currentStruct);
   }
   var ketSerializer = new KetSerializer();
-  var serializedStruct = ketSerializer.serialize(currentStruct, undefined, _objectSpread$1h(_objectSpread$1h({}, selection), {}, {
+  var serializedStruct = ketSerializer.serialize(currentStruct, undefined, _objectSpread$1i(_objectSpread$1i({}, selection), {}, {
     atoms: selectedAtoms,
     bonds: selectedBonds
   }));
@@ -3586,7 +3595,7 @@ var zoom = {
 
 var openHelpLink = function openHelpLink() {
   var _window$open;
-  return (_window$open = window.open("https://github.com/epam/ketcher/blob/".concat("v2.21.0-rc.2\n", "/documentation/help.md#ketcher-overview"))) === null || _window$open === void 0 ? void 0 : _window$open.focus();
+  return (_window$open = window.open("https://github.com/epam/ketcher/blob/".concat("v2.22.0-rc.2\n", "/documentation/help.md#ketcher-overview"))) === null || _window$open === void 0 ? void 0 : _window$open.focus();
 };
 var help = {
   help: {
@@ -3660,9 +3669,9 @@ var fullscreen = {
   }
 };
 
-function ownKeys$1g(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$1g(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1g(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1g(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
-var config = _objectSpread$1g(_objectSpread$1g(_objectSpread$1g(_objectSpread$1g(_objectSpread$1g(_objectSpread$1g(_objectSpread$1g(_objectSpread$1g(_objectSpread$1g({
+function ownKeys$1h(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$1h(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1h(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1h(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+var config = _objectSpread$1h(_objectSpread$1h(_objectSpread$1h(_objectSpread$1h(_objectSpread$1h(_objectSpread$1h(_objectSpread$1h(_objectSpread$1h(_objectSpread$1h({
   clear: {
     shortcut: ['Mod+Delete', 'Mod+Backspace'],
     title: 'Clear Canvas',
@@ -7911,12 +7920,12 @@ var StyledButton = styled.button({
 });
 
 var _excluded$x = ["children"];
-function ownKeys$1f(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$1f(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1f(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1f(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$1g(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$1g(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1g(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1g(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 var Button = function Button(_ref) {
   var children = _ref.children,
     props = _objectWithoutProperties(_ref, _excluded$x);
-  return jsx(StyledButton, _objectSpread$1f(_objectSpread$1f({}, props), {}, {
+  return jsx(StyledButton, _objectSpread$1g(_objectSpread$1g({}, props), {}, {
     children: children
   }));
 };
@@ -7974,10 +7983,10 @@ var StyledInput$1 = styled.input({
   }
 });
 
-function ownKeys$1e(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$1e(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1e(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1e(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$1f(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$1f(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1f(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1f(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 var Input$2 = function Input(props) {
-  return jsx(StyledInput$1, _objectSpread$1e({}, props));
+  return jsx(StyledInput$1, _objectSpread$1f({}, props));
 };
 
 var Container = styled.div({
@@ -8066,8 +8075,8 @@ var InfoModal$1 = function InfoModal(_ref) {
 var styles$g = {"button-common-styles":"Dialog-module_button-common-styles__Xehyp","scrollbar":"Dialog-module_scrollbar__L8hUr","dialog":"Dialog-module_dialog__hiRBI","hide":"Dialog-module_hide__bbkvB","header":"Dialog-module_header__8QGek","btnContainer":"Dialog-module_btnContainer__ulrFM","buttonTop":"Dialog-module_buttonTop__91ha8","closeButton":"Dialog-module_closeButton__XyaAE","footer":"Dialog-module_footer__PliV0","ok":"Dialog-module_ok__BUQ6q","cancel":"Dialog-module_cancel__8d83c","withDivider":"Dialog-module_withDivider__YBKiQ","body":"Dialog-module_body__EWh4H","withMargin":"Dialog-module_withMargin__-zVS4"};
 
 var _excluded$w = ["children", "title", "params", "result", "valid", "buttons", "headerContent", "footerContent", "className", "buttonsNameMap", "needMargin", "withDivider", "focusable"];
-function ownKeys$1d(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$1d(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1d(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1d(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$1e(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$1e(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1e(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1e(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 var Dialog = function Dialog(props) {
   var children = props.children,
     title = props.title,
@@ -8122,7 +8131,7 @@ var Dialog = function Dialog(props) {
       event.stopPropagation();
     }
   };
-  return jsxs("div", _objectSpread$1d(_objectSpread$1d({
+  return jsxs("div", _objectSpread$1e(_objectSpread$1e({
     ref: dialogRef,
     role: "dialog",
     onSubmit: function onSubmit(event) {
@@ -8448,8 +8457,8 @@ function usePortalStyle(_ref) {
   return [portalStyle];
 }
 
-function ownKeys$1c(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$1c(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1c(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1c(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$1d(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$1d(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1d(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1d(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 var ToolbarMultiToolItem = function ToolbarMultiToolItem(props) {
   var id = props.id,
     options = props.options,
@@ -8523,7 +8532,7 @@ var ToolbarMultiToolItem = function ToolbarMultiToolItem(props) {
     ref: ref,
     className: classes$O.root,
     "data-testid": "".concat(dataTestId || iconName, "-in-toolbar"),
-    children: [jsx(ActionButton, _objectSpread$1c(_objectSpread$1c({}, actionButtonProps), {}, {
+    children: [jsx(ActionButton, _objectSpread$1d(_objectSpread$1d({}, actionButtonProps), {}, {
       className: className,
       name: iconName,
       action: config[currentId],
@@ -8629,8 +8638,8 @@ var TemplatesList = function TemplatesList(props) {
 var classes$N = {"button-common-styles":"BottomToolbar-module_button-common-styles__PbtE9","scrollbar":"BottomToolbar-module_scrollbar__i1f8P","group":"BottomToolbar-module_group__b-pGt","root":"BottomToolbar-module_root__kjkSm"};
 
 var _excluded$v = ["className"];
-function ownKeys$1b(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$1b(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1b(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1b(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$1c(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$1c(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1c(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1c(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 var Group$1 = function Group(_ref) {
   var children = _ref.children,
     className = _ref.className;
@@ -8655,22 +8664,22 @@ var BottomToolbar = function BottomToolbar(props) {
         indigoVerification: indigoVerification,
         disableableButtons: disableableButtons,
         onAction: onAction
-      }), jsx(ToolbarGroupItem, _objectSpread$1b({
+      }), jsx(ToolbarGroupItem, _objectSpread$1c({
         id: "template-lib"
       }, rest))]
     })
   });
 };
 
-function ownKeys$1a(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$1a(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1a(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1a(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$1b(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$1b(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1b(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1b(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 function openDialog(dispatch, dialogName, props) {
   return new Promise(function (resolve, reject) {
     dispatch({
       type: 'MODAL_OPEN',
       data: {
         name: dialogName,
-        prop: _objectSpread$1a(_objectSpread$1a({}, props), {}, {
+        prop: _objectSpread$1b(_objectSpread$1b({}, props), {}, {
           onResult: resolve,
           onCancel: reject
         })
@@ -8689,14 +8698,14 @@ function modalReducer() {
       return null;
     }
     var formState = formReducer(state.form, action);
-    return _objectSpread$1a(_objectSpread$1a({}, state), {}, {
+    return _objectSpread$1b(_objectSpread$1b({}, state), {}, {
       form: formState
     });
   }
   switch (type) {
     case 'MODAL_CLOSE':
       if (state !== null && state !== void 0 && state.parentModal) {
-        state.parentModal.prop = _objectSpread$1a(_objectSpread$1a(_objectSpread$1a({}, state.parentModal.prop), state.parentModal.form.result), {}, {
+        state.parentModal.prop = _objectSpread$1b(_objectSpread$1b(_objectSpread$1b({}, state.parentModal.prop), state.parentModal.form.result), {}, {
           isRestoredModal: true
         });
         return state.parentModal;
@@ -8714,8 +8723,8 @@ function modalReducer() {
   }
 }
 
-function ownKeys$19(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$19(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$19(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$19(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$1a(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$1a(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$1a(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$1a(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 function selectTmpl(tmpl) {
   return {
     type: 'TMPL_SELECT',
@@ -8823,7 +8832,7 @@ function saveUserTmpl(struct) {
       var name = _ref.name,
         attach = _ref.attach;
       tmpl.struct.name = name.trim();
-      tmpl.props = _objectSpread$19(_objectSpread$19({}, attach), {}, {
+      tmpl.props = _objectSpread$1a(_objectSpread$1a({}, attach), {}, {
         group: 'User Templates'
       });
       var lib = getState().templates.lib.concat(tmpl);
@@ -8863,7 +8872,7 @@ function templatesReducer() {
   if (tmplActions.includes(action.type)) return Object.assign({}, state, action.data);
   if (attachActions.includes(action.type)) {
     var attach = Object.assign({}, state.attach, action.data);
-    return _objectSpread$19(_objectSpread$19({}, state), {}, {
+    return _objectSpread$1a(_objectSpread$1a({}, state), {}, {
       attach: attach
     });
   }
@@ -8872,7 +8881,7 @@ function templatesReducer() {
     var lib = currentState.lib.filter(function (value) {
       return value !== action.data.tmpl;
     });
-    return _objectSpread$19(_objectSpread$19({}, currentState), {}, {
+    return _objectSpread$1a(_objectSpread$1a({}, currentState), {}, {
       lib: lib
     });
   }
@@ -8934,8 +8943,8 @@ function abbreviationLookupReducer() {
   }
 }
 
-function ownKeys$18(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$18(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$18(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$18(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$19(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$19(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$19(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$19(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 var initialState$3 = {
   cursorPosition: {
     x: 0,
@@ -8960,7 +8969,7 @@ function commonReducer() {
   switch (action.type) {
     case COMMON_ACTIONS.COMMON_UPDATE_CURSOR_POSITION:
       {
-        return _objectSpread$18(_objectSpread$18({}, state), {}, {
+        return _objectSpread$19(_objectSpread$19({}, state), {}, {
           cursorPosition: {
             x: action.data.x,
             y: action.data.y
@@ -8973,8 +8982,8 @@ function commonReducer() {
 }
 
 var _excluded$u = ["type", "action"];
-function ownKeys$17(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$17(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$17(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$17(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$18(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$18(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$18(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$18(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 function execute(activeTool, _ref) {
   var action = _ref.action,
     editor = _ref.editor,
@@ -9032,7 +9041,7 @@ function actionStateReducer () {
       }
     case 'ACTION':
       {
-        activeTool = execute(state && state.activeTool, _objectSpread$17(_objectSpread$17({}, params), {}, {
+        activeTool = execute(state && state.activeTool, _objectSpread$18(_objectSpread$18({}, params), {}, {
           action: action
         }));
         if (activeTool.tool === 'select') {
@@ -11637,8 +11646,8 @@ var errors = {
 	codes: codes_1
 };
 
-function ownKeys$16(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$16(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$16(Object(t), !0).forEach(function (r) { _defineProperty(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$16(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$17(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$17(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$17(Object(t), !0).forEach(function (r) { _defineProperty(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$17(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 function _defineProperty(obj, key, value) { key = _toPropertyKey(key); if (key in obj) { Object.defineProperty(obj, key, { value: value, enumerable: true, configurable: true, writable: true }); } else { obj[key] = value; } return obj; }
 function _classCallCheck(instance, Constructor) { if (!(instance instanceof Constructor)) { throw new TypeError("Cannot call a class as a function"); } }
 function _defineProperties(target, props) { for (var i = 0; i < props.length; i++) { var descriptor = props[i]; descriptor.enumerable = descriptor.enumerable || false; descriptor.configurable = true; if ("value" in descriptor) descriptor.writable = true; Object.defineProperty(target, _toPropertyKey(descriptor.key), descriptor); } }
@@ -12066,7 +12075,7 @@ var AssertionError = /*#__PURE__*/function (_Error, _inspect$custom) {
       // the minimum depth. Otherwise those values would be too verbose compared
       // to the actual error message which contains a combined view of these two
       // input values.
-      return inspect(this, _objectSpread$16(_objectSpread$16({}, ctx), {}, {
+      return inspect(this, _objectSpread$17(_objectSpread$17({}, ctx), {}, {
         customInspect: false,
         depth: 0
       }));
@@ -13686,8 +13695,8 @@ function setFunctionalGroupsTooltip(_ref) {
   showTooltip(editor, infoPanelData);
 }
 
-function ownKeys$15(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$15(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$15(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$15(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$16(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$16(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$16(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$16(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 var initialState$2 = {
   lib: [],
   functionalGroupInfo: null,
@@ -13700,9 +13709,9 @@ var functionalGroupsReducer = function functionalGroupsReducer() {
     payload = _ref.payload;
   switch (type) {
     case 'FG_INIT':
-      return _objectSpread$15(_objectSpread$15({}, state), payload);
+      return _objectSpread$16(_objectSpread$16({}, state), payload);
     case 'FG_HIGHLIGHT':
-      return _objectSpread$15(_objectSpread$15({}, state), {}, {
+      return _objectSpread$16(_objectSpread$16({}, state), {}, {
         functionalGroupInfo: payload
       });
     default:
@@ -13760,8 +13769,8 @@ function initFGTemplates() {
 
 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";
 
-function ownKeys$14(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$14(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$14(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$14(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$15(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$15(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$15(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$15(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 var initialState$1 = {
   lib: [],
   mode: MODES.FG
@@ -13773,7 +13782,7 @@ var saltsAndSolventsReducer = function saltsAndSolventsReducer() {
     payload = _ref.payload;
   switch (type) {
     case 'SALTS_AND_SOLVENTS_INIT':
-      return _objectSpread$14(_objectSpread$14({}, state), payload);
+      return _objectSpread$15(_objectSpread$15({}, state), payload);
     default:
       return state;
   }
@@ -13822,8 +13831,8 @@ function initSaltsAndSolventsTemplates() {
   }();
 }
 
-function ownKeys$13(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$13(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$13(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$13(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$14(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$14(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$14(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$14(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 var initial = {
   freqAtoms: [],
   currentAtom: 0,
@@ -13843,7 +13852,7 @@ function updateVisibleTools(visibleTool, activeTool) {
     if (key === 'shape' && menuHeight > 900) return res;
     if (!key.match(regExp) || menuHeight > 700) res[key] = visibleTool[key];
     return res;
-  }, _objectSpread$13({}, activeTool));
+  }, _objectSpread$14({}, activeTool));
 }
 function initResize() {
   return function (dispatch, getState) {
@@ -13867,41 +13876,41 @@ function toolbarReducer () {
     case 'ACTION':
       {
         var visibleTool = toolInMenu(action.action);
-        return visibleTool ? _objectSpread$13(_objectSpread$13({}, state), {}, {
+        return visibleTool ? _objectSpread$14(_objectSpread$14({}, state), {}, {
           opened: null,
-          visibleTools: _objectSpread$13(_objectSpread$13({}, state.visibleTools), visibleTool)
-        }) : _objectSpread$13(_objectSpread$13({}, state), {}, {
+          visibleTools: _objectSpread$14(_objectSpread$14({}, state.visibleTools), visibleTool)
+        }) : _objectSpread$14(_objectSpread$14({}, state), {}, {
           opened: null
         });
       }
     case 'ADD_ATOMS':
       {
         var newState = addFreqAtom(data, state.freqAtoms, state.currentAtom);
-        return _objectSpread$13(_objectSpread$13({}, state), newState);
+        return _objectSpread$14(_objectSpread$14({}, state), newState);
       }
     case 'CLEAR_VISIBLE':
       {
         var activeTool = toolInMenu(action.data);
         var correctTools = updateVisibleTools(state.visibleTools, activeTool);
-        return _objectSpread$13(_objectSpread$13({}, state), {}, {
+        return _objectSpread$14(_objectSpread$14({}, state), {}, {
           opened: null,
-          visibleTools: _objectSpread$13({}, correctTools)
+          visibleTools: _objectSpread$14({}, correctTools)
         });
       }
     case 'OPENED':
       {
-        return data.isSelected && state.opened ? _objectSpread$13(_objectSpread$13({}, state), {}, {
+        return data.isSelected && state.opened ? _objectSpread$14(_objectSpread$14({}, state), {}, {
           opened: null
-        }) : _objectSpread$13(_objectSpread$13({}, state), {}, {
+        }) : _objectSpread$14(_objectSpread$14({}, state), {}, {
           opened: data.menuName
         });
       }
     case 'UPDATE':
-      return _objectSpread$13(_objectSpread$13({}, state), {}, {
+      return _objectSpread$14(_objectSpread$14({}, state), {}, {
         opened: null
       });
     case 'MODAL_OPEN':
-      return _objectSpread$13(_objectSpread$13({}, state), {}, {
+      return _objectSpread$14(_objectSpread$14({}, state), {}, {
         opened: null
       });
     default:
@@ -13944,8 +13953,8 @@ function hiddenAncestor(el, base) {
   return findEl;
 }
 
-function ownKeys$12(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$12(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$12(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$12(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$13(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$13(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$13(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$13(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 var initialState = {
   visible: false,
   rotateHandlePosition: {
@@ -13967,7 +13976,7 @@ var floatingToolsReducer = function floatingToolsReducer() {
     payload = _ref.payload;
   switch (type) {
     case 'UPDATE_FLOATING_TOOLS':
-      return _objectSpread$12(_objectSpread$12({}, state), payload);
+      return _objectSpread$13(_objectSpread$13({}, state), payload);
     default:
       return state;
   }
@@ -13975,8 +13984,8 @@ var floatingToolsReducer = function floatingToolsReducer() {
 
 var _excluded$t = ["type"],
   _excluded2$5 = ["buttons"];
-function ownKeys$11(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$11(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$11(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$11(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$12(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$12(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$12(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$12(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 var shared = combineReducers({
   common: commonReducer,
   actionState: actionStateReducer,
@@ -14009,11 +14018,11 @@ function getRootReducer(setEditor) {
         {
           action.type;
             var data = _objectWithoutProperties(action, _excluded$t);
-          if (data) state = _objectSpread$11(_objectSpread$11({}, state), data);
+          if (data) state = _objectSpread$12(_objectSpread$12({}, state), data);
         }
     }
-    var sh = shared(state, _objectSpread$11(_objectSpread$11({}, action), pick(['editor', 'server', 'options'], state)));
-    var finalState = sh === state.shared ? state : _objectSpread$11(_objectSpread$11({}, state), sh);
+    var sh = shared(state, _objectSpread$12(_objectSpread$12({}, action), pick(['editor', 'server', 'options'], state)));
+    var finalState = sh === state.shared ? state : _objectSpread$12(_objectSpread$12({}, state), sh);
     global.currentState = finalState;
     return finalState;
   };
@@ -14102,8 +14111,8 @@ function useSettingsContext() {
   return React__default.useContext(settingsContext);
 }
 
-function ownKeys$10(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$10(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$10(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$10(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$11(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$11(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$11(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$11(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 var throttleMilliseconds = 100;
 function useThrottleResizeObserver() {
   var options = arguments.length > 0 && arguments[0] !== undefined ? arguments[0] : {};
@@ -14117,11 +14126,11 @@ function useThrottleResizeObserver() {
   var onResize = useMemo(function () {
     return throttle$1(setSize, throttleMilliseconds);
   }, []);
-  var _useResizeObserver = useResizeObserver(_objectSpread$10({
+  var _useResizeObserver = useResizeObserver(_objectSpread$11({
       onResize: onResize
     }, options)),
     ref = _useResizeObserver.ref;
-  return _objectSpread$10({
+  return _objectSpread$11({
     ref: ref
   }, size);
 }
@@ -14251,13 +14260,13 @@ var mediaSizes$2 = {
 };
 
 var _excluded$s = ["height"];
-function ownKeys$$(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$$(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$$(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$$(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$10(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$10(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$10(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$10(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 var Bond$1 = function Bond(props) {
   var height = props.height,
     rest = _objectWithoutProperties(props, _excluded$s);
   if (height && height <= mediaSizes$2.bondCollapsableHeight) {
-    return jsx(ToolbarMultiToolItem, _objectSpread$$({
+    return jsx(ToolbarMultiToolItem, _objectSpread$10({
       id: "bonds",
       options: groupOptions,
       variant: "grouped",
@@ -14265,35 +14274,35 @@ var Bond$1 = function Bond(props) {
     }, rest));
   }
   return jsxs(Fragment, {
-    children: [jsx(ToolbarMultiToolItem, _objectSpread$$({
+    children: [jsx(ToolbarMultiToolItem, _objectSpread$10({
       id: "bond-common",
       options: bondCommon
-    }, rest)), jsx(ToolbarMultiToolItem, _objectSpread$$({
+    }, rest)), jsx(ToolbarMultiToolItem, _objectSpread$10({
       id: "bond-stereo",
       options: bondStereo
-    }, rest)), jsx(ToolbarMultiToolItem, _objectSpread$$({
+    }, rest)), jsx(ToolbarMultiToolItem, _objectSpread$10({
       id: "bond-query",
       options: bondQuery
-    }, rest)), jsx(ToolbarMultiToolItem, _objectSpread$$({
+    }, rest)), jsx(ToolbarMultiToolItem, _objectSpread$10({
       id: "bond-special",
       options: bondSpecial
     }, rest))]
   });
 };
 
-function ownKeys$_(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$_(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$_(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$_(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$$(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$$(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$$(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$$(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 var RGroup$1 = function RGroup(props) {
-  return jsx(ToolbarGroupItem, _objectSpread$_({
+  return jsx(ToolbarGroupItem, _objectSpread$$({
     id: "rgroup",
     options: rGroupOptions
   }, props));
 };
 
-function ownKeys$Z(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$Z(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$Z(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$Z(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$_(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$_(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$_(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$_(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 var Shape = function Shape(props) {
-  return jsx(ToolbarGroupItem, _objectSpread$Z({
+  return jsx(ToolbarGroupItem, _objectSpread$_({
     id: "shapes",
     options: shapeOptions
   }, props));
@@ -14302,8 +14311,8 @@ var Shape = function Shape(props) {
 var classes$L = {"button-common-styles":"LeftToolbar-module_button-common-styles__WgnON","scrollbar":"LeftToolbar-module_scrollbar__OBwid","group":"LeftToolbar-module_group__0s41t","root":"LeftToolbar-module_root__yhhZm","buttons":"LeftToolbar-module_buttons__lnIjn","borderOff":"LeftToolbar-module_borderOff__om425","groupItem":"LeftToolbar-module_groupItem__OqQu0"};
 
 var _excluded$r = ["className"];
-function ownKeys$Y(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$Y(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$Y(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$Y(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$Z(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$Z(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$Z(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$Z(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 var LeftToolbar = function LeftToolbar(props) {
   var _scrollRef$current;
   var className = props.className,
@@ -14329,7 +14338,7 @@ var LeftToolbar = function LeftToolbar(props) {
     var id = _ref.id,
       options = _ref.options,
       dataTestId = _ref.dataTestId;
-    return ToolbarGroupItem(_objectSpread$Y({
+    return ToolbarGroupItem(_objectSpread$Z({
       id: id,
       options: options,
       dataTestId: dataTestId
@@ -14366,16 +14375,16 @@ var LeftToolbar = function LeftToolbar(props) {
       children: visibleItems.map(function (item) {
         switch (item.id) {
           case 'bond-common':
-            return createElement(Bond$1, _objectSpread$Y(_objectSpread$Y({}, rest), {}, {
+            return createElement(Bond$1, _objectSpread$Z(_objectSpread$Z({}, rest), {}, {
               height: height,
               key: item.id
             }));
           case 'rgroup':
-            return createElement(RGroup$1, _objectSpread$Y(_objectSpread$Y({}, rest), {}, {
+            return createElement(RGroup$1, _objectSpread$Z(_objectSpread$Z({}, rest), {}, {
               key: item.id
             }));
           case 'shapes':
-            return createElement(Shape, _objectSpread$Y(_objectSpread$Y({}, rest), {}, {
+            return createElement(Shape, _objectSpread$Z(_objectSpread$Z({}, rest), {}, {
               key: item.id
             }));
           case 'bonds':
@@ -14503,14 +14512,14 @@ var LeftToolbarContainer = connect(mapStateToProps$k, mapDispatchToProps$k)(Left
 var classes$K = {"button-common-styles":"Atom-module_button-common-styles__j3EUJ","scrollbar":"Atom-module_scrollbar__iO-Ni","atom":"Atom-module_atom__g2RUu"};
 
 var _excluded$q = ["el", "shortcut", "selected"];
-function ownKeys$X(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$X(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$X(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$X(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$Y(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$Y(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$Y(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$Y(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 function Atom$1(_ref) {
   var el = _ref.el,
     shortcut = _ref.shortcut,
     selected = _ref.selected,
     props = _objectWithoutProperties(_ref, _excluded$q);
-  return jsx("button", _objectSpread$X(_objectSpread$X({
+  return jsx("button", _objectSpread$Y(_objectSpread$Y({
     title: shortcut ? "".concat(el.title, " (").concat(shortcut, ")") : el.title,
     className: clsx(classes$K.atom, {
       selected: selected
@@ -14571,8 +14580,8 @@ var HorizontalDivider = function HorizontalDivider() {
 };
 
 var _excluded$p = ["className"];
-function ownKeys$W(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$W(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$W(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$W(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$X(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$X(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$X(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$X(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 var Group = function Group(_ref) {
   var children = _ref.children,
     className = _ref.className;
@@ -14638,7 +14647,7 @@ var RightToolbar = function RightToolbar(props) {
             atoms: freqAtoms,
             active: active,
             onAction: onAction
-          }), jsx(ToolbarGroupItem, _objectSpread$W({
+          }), jsx(ToolbarGroupItem, _objectSpread$X({
             id: "period-table"
           }, rest))]
         })
@@ -14648,11 +14657,11 @@ var RightToolbar = function RightToolbar(props) {
           className: classes$J.groupItem,
           children: jsxs("div", {
             ref: sizeRef,
-            children: [jsx(ToolbarGroupItem, _objectSpread$W({
+            children: [jsx(ToolbarGroupItem, _objectSpread$X({
               id: "any-atom"
             }, rest)), jsx("div", {
               className: classes$J.button,
-              children: jsx(ToolbarGroupItem, _objectSpread$W({
+              children: jsx(ToolbarGroupItem, _objectSpread$X({
                 id: "extended-table"
               }, rest))
             })]
@@ -15510,8 +15519,8 @@ var selectAbbreviationLookupValue = function selectAbbreviationLookupValue(state
   return (_state$abbreviationLo = state.abbreviationLookup.lookupValue) !== null && _state$abbreviationLo !== void 0 ? _state$abbreviationLo : '';
 };
 
-function ownKeys$V(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
-function _objectSpread$V(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$V(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$V(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
+function ownKeys$W(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$W(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$W(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$W(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 var destinationVectorMapping = {
   ArrowUp: new Vec2(0, -1),
   ArrowDown: new Vec2(0, 1),
@@ -15536,7 +15545,7 @@ function moveSelectedItems(editor, key, isShiftPressed) {
   if (isClose) {
     var moveStep = isShiftPressed ? getFasterStep(destinationVectorInCanvas) : destinationVectorInCanvas;
     editor.render.setViewBox(function (prev) {
-      return _objectSpread$V(_objectSpread$V({}, prev), {}, {
+      return _objectSpread$W(_objectSpread$W({}, prev), {}, {
         minX: prev.minX + moveStep.x,
         minY: prev.minY + moveStep.y
       });
@@ -16178,9 +16187,53 @@ function atomLongtapEvent(tool, render) {
   };
 }
 
+function filterNotInContractedSGroup(itemsToFilter, struct) {
+  var _itemsToFilter$atoms$, _itemsToFilter$atoms, _itemsToFilter$bonds$, _itemsToFilter$bonds;
+  return {
+    atoms: (_itemsToFilter$atoms$ = (_itemsToFilter$atoms = itemsToFilter.atoms) === null || _itemsToFilter$atoms === void 0 ? void 0 : _itemsToFilter$atoms.filter(function (atomId) {
+      var groupId = struct.getGroupIdFromAtomId(atomId);
+      if (isNotCollapsedSGroup(groupId, struct)) {
+        return true;
+      } else {
+        var sGroup = struct.sgroups.get(groupId);
+        return (sGroup === null || sGroup === void 0 ? void 0 : sGroup.getAttachmentAtomId()) === atomId;
+      }
+    })) !== null && _itemsToFilter$atoms$ !== void 0 ? _itemsToFilter$atoms$ : [],
+    bonds: (_itemsToFilter$bonds$ = (_itemsToFilter$bonds = itemsToFilter.bonds) === null || _itemsToFilter$bonds === void 0 ? void 0 : _itemsToFilter$bonds.filter(function (bondId) {
+      var groupId = struct.getGroupIdFromBondId(bondId);
+      return isNotCollapsedSGroup(groupId, struct);
+    })) !== null && _itemsToFilter$bonds$ !== void 0 ? _itemsToFilter$bonds$ : []
+  };
+}
+function isNotCollapsedSGroup(groupId, struct) {
+  if (groupId === null) {
+    return true;
+  }
+  var sGroup = struct.sgroups.get(groupId);
+  if (!sGroup) {
+    throw new Error("sGroup with id = \"".concat(groupId, "\" must be defined, unexpected behaviour"));
+  }
+  return sGroup.checkAttr('expanded', true);
+}
+function filterNotPartOfSuperatomWithoutLabel(itemsToFilter, struct) {
+  var _itemsToFilter$atoms$2, _itemsToFilter$atoms2, _itemsToFilter$bonds$2, _itemsToFilter$bonds2;
+  return {
+    atoms: (_itemsToFilter$atoms$2 = (_itemsToFilter$atoms2 = itemsToFilter.atoms) === null || _itemsToFilter$atoms2 === void 0 ? void 0 : _itemsToFilter$atoms2.filter(function (atomId) {
+      var _struct$getGroupFromA;
+      return !((_struct$getGroupFromA = struct.getGroupFromAtomId(atomId)) !== null && _struct$getGroupFromA !== void 0 && _struct$getGroupFromA.isSuperatomWithoutLabel);
+    })) !== null && _itemsToFilter$atoms$2 !== void 0 ? _itemsToFilter$atoms$2 : [],
+    bonds: (_itemsToFilter$bonds$2 = (_itemsToFilter$bonds2 = itemsToFilter.bonds) === null || _itemsToFilter$bonds2 === void 0 ? void 0 : _itemsToFilter$bonds2.filter(function (bondId) {
+      var _struct$getGroupFromB;
+      return !((_struct$getGroupFromB = struct.getGroupFromBondId(bondId)) !== null && _struct$getGroupFromB !== void 0 && _struct$getGroupFromB.isSuperatomWithoutLabel);
+    })) !== null && _itemsToFilter$bonds$2 !== void 0 ? _itemsToFilter$bonds$2 : []
+  };
+}
+
 function _createForOfIteratorHelper$d(o, allowArrayLike) { var it = typeof Symbol !== "undefined" && o[Symbol.iterator] || o["@@iterator"]; if (!it) { if (Array.isArray(o) || (it = _unsupportedIterableToArray$d(o)) || allowArrayLike && o && typeof o.length === "number") { if (it) o = it; var i = 0; var F = function F() {}; return { s: F, n: function n() { if (i >= o.length) return { done: true }; return { done: false, value: o[i++] }; }, e: function e(_e) { throw _e; }, f: F }; } throw new TypeError("Invalid attempt to iterate non-iterable instance.\nIn order to be iterable, non-array objects must have a [Symbol.iterator]() method."); } var normalCompletion = true, didErr = false, err; return { s: function s() { it = it.call(o); }, n: function n() { var step = it.next(); normalCompletion = step.done; return step; }, e: function e(_e2) { didErr = true; err = _e2; }, f: function f() { try { if (!normalCompletion && it["return"] != null) it["return"](); } finally { if (didErr) throw err; } } }; }
 function _unsupportedIterableToArray$d(o, minLen) { if (!o) return; if (typeof o === "string") return _arrayLikeToArray$d(o, minLen); var n = Object.prototype.toString.call(o).slice(8, -1); if (n === "Object" && o.constructor) n = o.constructor.name; if (n === "Map" || n === "Set") return Array.from(o); if (n === "Arguments" || /^(?:Ui|I)nt(?:8|16|32)(?:Clamped)?Array$/.test(n)) return _arrayLikeToArray$d(o, minLen); }
 function _arrayLikeToArray$d(arr, len) { if (len == null || len > arr.length) len = arr.length; for (var i = 0, arr2 = new Array(len); i < len; i++) arr2[i] = arr[i]; return arr2; }
+function ownKeys$V(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
+function _objectSpread$V(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$V(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$V(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 var searchMaps = ['atoms', 'bonds', 'sgroups', 'functionalGroups', 'sgroupData'];
 var SGroupTool = function () {
   function SGroupTool(editor) {
@@ -16193,11 +16246,22 @@ var SGroupTool = function () {
     key: "checkSelection",
     value: function checkSelection() {
       var selection = this.editor.selection() || {};
+      var struct = this.editor.render.ctab;
+      var molecule = struct.molecule;
+      var filteredAtomsAndBonds = filterNotPartOfSuperatomWithoutLabel({
+        atoms: selection.atoms,
+        bonds: selection.bonds
+      }, molecule);
+      selection = _objectSpread$V(_objectSpread$V({}, selection), {}, {
+        atoms: filteredAtomsAndBonds.atoms,
+        bonds: filteredAtomsAndBonds.bonds
+      });
+      selection = this.editor.selection(selection) || {};
+      this.editor.rotateController.rerender();
+      this.editor.update(true);
       if (selection.atoms && selection.bonds) {
         var _this$editor$selectio;
         var selectedAtoms = (_this$editor$selectio = this.editor.selection()) === null || _this$editor$selectio === void 0 ? void 0 : _this$editor$selectio.atoms;
-        var struct = this.editor.render.ctab;
-        var molecule = struct.molecule;
         var sgroups = molecule.sgroups;
         var newSelected = {
           atoms: [],
@@ -16470,6 +16534,9 @@ var SGroupTool = function () {
         atomsResult.forEach(function (id) {
           var _struct$sgroups$get3, _newSelected$atoms3;
           var fgId = FunctionalGroup.findFunctionalGroupByAtom(functionalGroups, id);
+          if (fgId === null) {
+            return;
+          }
           var sgroupAtoms = SGroup$1.getAtoms(molecule, (_struct$sgroups$get3 = struct.sgroups.get(fgId)) === null || _struct$sgroups$get3 === void 0 ? void 0 : _struct$sgroups$get3.item);
           (_newSelected$atoms3 = newSelected.atoms).push.apply(_newSelected$atoms3, _toConsumableArray(sgroupAtoms));
         });
@@ -16478,6 +16545,9 @@ var SGroupTool = function () {
         bondsResult.forEach(function (id) {
           var _struct$sgroups$get4, _newSelected$bonds3;
           var fgId = FunctionalGroup.findFunctionalGroupByBond(molecule, functionalGroups, id);
+          if (fgId === null) {
+            return;
+          }
           var sgroupBonds = SGroup$1.getBonds(molecule, (_struct$sgroups$get4 = struct.sgroups.get(fgId)) === null || _struct$sgroups$get4 === void 0 ? void 0 : _struct$sgroups$get4.item);
           (_newSelected$bonds3 = newSelected.bonds).push.apply(_newSelected$bonds3, _toConsumableArray(sgroupBonds));
         });
@@ -16532,6 +16602,14 @@ var SGroupTool = function () {
       var selection = null;
       if (this.lassoHelper.running(event)) {
         selection = newSelected.atoms.length > 0 ? selMerge(this.lassoHelper.end(event), newSelected, false) : this.lassoHelper.end(event);
+        var filteredAtomsAndBonds = filterNotPartOfSuperatomWithoutLabel({
+          atoms: selection.atoms,
+          bonds: selection.bonds
+        }, molecule);
+        selection = _objectSpread$V(_objectSpread$V({}, selection), {}, {
+          atoms: filteredAtomsAndBonds.atoms,
+          bonds: filteredAtomsAndBonds.bonds
+        });
         this.editor.selection(selection);
       } else {
         if (!ci) {
@@ -16876,35 +16954,6 @@ function updateSelectedBonds(_ref) {
   }
 }
 
-function filterNotInContractedSGroup(itemsToFilter, struct) {
-  var _itemsToFilter$atoms$, _itemsToFilter$atoms, _itemsToFilter$bonds$, _itemsToFilter$bonds;
-  return {
-    atoms: (_itemsToFilter$atoms$ = (_itemsToFilter$atoms = itemsToFilter.atoms) === null || _itemsToFilter$atoms === void 0 ? void 0 : _itemsToFilter$atoms.filter(function (atomId) {
-      var groupId = struct.getGroupIdFromAtomId(atomId);
-      if (isNotCollapsedSGroup(groupId, struct)) {
-        return true;
-      } else {
-        var sGroup = struct.sgroups.get(groupId);
-        return (sGroup === null || sGroup === void 0 ? void 0 : sGroup.getAttachmentAtomId()) === atomId;
-      }
-    })) !== null && _itemsToFilter$atoms$ !== void 0 ? _itemsToFilter$atoms$ : [],
-    bonds: (_itemsToFilter$bonds$ = (_itemsToFilter$bonds = itemsToFilter.bonds) === null || _itemsToFilter$bonds === void 0 ? void 0 : _itemsToFilter$bonds.filter(function (bondId) {
-      var groupId = struct.getGroupIdFromBondId(bondId);
-      return isNotCollapsedSGroup(groupId, struct);
-    })) !== null && _itemsToFilter$bonds$ !== void 0 ? _itemsToFilter$bonds$ : []
-  };
-}
-function isNotCollapsedSGroup(groupId, struct) {
-  if (groupId === null) {
-    return true;
-  }
-  var sGroup = struct.sgroups.get(groupId);
-  if (!sGroup) {
-    throw new Error("sGroup with id = \"".concat(groupId, "\" must be defined, unexpected behaviour"));
-  }
-  return sGroup.checkAttr('expanded', true);
-}
-
 function customOnChangeHandler(action, handler) {
   var data = [];
   action.operations.reverse().forEach(function (operation) {
@@ -17595,9 +17644,10 @@ function getNewSelectedItems(editor, selectedSgroups) {
     _step3;
   try {
     for (_iterator3.s(); !(_step3 = _iterator3.n()).done;) {
+      var _sgroup$item;
       var sgId = _step3.value;
       var sgroup = editor.render.ctab.sgroups.get(sgId);
-      if (sgroup) {
+      if (sgroup && !((_sgroup$item = sgroup.item) !== null && _sgroup$item !== void 0 && _sgroup$item.isSuperatomWithoutLabel)) {
         var _newSelected$atoms2, _newSelected$bonds2;
         var sgroupAtoms = SGroup$1.getAtoms(editor.struct(), sgroup.item);
         var sgroupBonds = SGroup$1.getBonds(editor.struct(), sgroup.item);
@@ -19208,7 +19258,7 @@ function findClosestAtom(restruct, pos, skip, minDist) {
   minDist = minDist || maxMinDist;
   minDist = Math.min(minDist, maxMinDist);
   restruct.atoms.forEach(function (atom, aid) {
-    if (FunctionalGroup.isAtomInContractedFunctionalGroup(atom.a, sGroups, functionalGroups, true)) {
+    if (FunctionalGroup.isAtomInContractedFunctionalGroup(atom.a, sGroups, functionalGroups, true) || Atom$2.isHiddenLeavingGroupAtom(restruct.molecule, aid)) {
       return null;
     }
     var isSkippedAtom = aid === skipId || atom.a.isPreview;
@@ -19246,7 +19296,7 @@ function findClosestBond(restruct, pos, skip, minDist, options) {
     }
     var p1 = restruct.atoms.get(bond.b.begin).a.pp;
     var p2 = restruct.atoms.get(bond.b.end).a.pp;
-    if (FunctionalGroup.isBondInContractedFunctionalGroup(bond.b, sGroups, functionalGroups) || SGroup$1.isBondInContractedSGroup(bond.b, sGroups)) {
+    if (FunctionalGroup.isBondInContractedFunctionalGroup(bond.b, sGroups, functionalGroups) || SGroup$1.isBondInContractedSGroup(bond.b, sGroups) || Bond$2.isBondToHiddenLeavingGroup(restruct.molecule, bond.b)) {
       return null;
     }
     var mid = Vec2.lc2(p1, 0.5, p2, 0.5);
@@ -19418,7 +19468,7 @@ function findClosestSGroup(restruct, pos) {
   var ret = null;
   var minDist = SELECTION_DISTANCE_COEFFICIENT;
   restruct.molecule.sgroups.forEach(function (sg, sgid) {
-    if (sg.isContracted()) return null;
+    if (sg.isContracted() || sg.isSuperatomWithoutLabel) return null;
     var d = sg.bracketDirection;
     var n = d.rotateSC(1, 0);
     var pg = new Vec2(Vec2.dot(pos, d), Vec2.dot(pos, n));
@@ -19854,10 +19904,12 @@ var BondTool = function () {
         } finally {
           _iterator.f();
         }
-        this.editor.event.removeFG.dispatch({
-          fgIds: result
-        });
-        return;
+        if (result.length) {
+          this.editor.event.removeFG.dispatch({
+            fgIds: result
+          });
+          return;
+        }
       } else if (bondResult.length > 0) {
         var _iterator2 = _createForOfIteratorHelper$6(bondResult),
           _step2;
@@ -19874,10 +19926,12 @@ var BondTool = function () {
         } finally {
           _iterator2.f();
         }
-        this.editor.event.removeFG.dispatch({
-          fgIds: result
-        });
-        return;
+        if (result.length) {
+          this.editor.event.removeFG.dispatch({
+            fgIds: result
+          });
+          return;
+        }
       }
       var attachmentAtomId;
       if ((ci === null || ci === void 0 ? void 0 : ci.map) === 'functionalGroups') {
@@ -20167,10 +20221,12 @@ var ChainTool = function () {
         } finally {
           _iterator.f();
         }
-        this.editor.event.removeFG.dispatch({
-          fgIds: result
-        });
-        return;
+        if (result.length) {
+          this.editor.event.removeFG.dispatch({
+            fgIds: result
+          });
+          return;
+        }
       } else if (bondResult.length > 0) {
         var _iterator2 = _createForOfIteratorHelper$5(bondResult),
           _step2;
@@ -20187,10 +20243,12 @@ var ChainTool = function () {
         } finally {
           _iterator2.f();
         }
-        this.editor.event.removeFG.dispatch({
-          fgIds: result
-        });
-        return;
+        if (result.length) {
+          this.editor.event.removeFG.dispatch({
+            fgIds: result
+          });
+          return;
+        }
       }
       this.editor.hover(null);
       this.dragCtx = {
@@ -20724,6 +20782,9 @@ var EraserTool = function () {
         this.editor.update(fromOneBondDeletion(restruct, ci.id));
       } else if (ci.map === 'functionalGroups' && FunctionalGroup.isContractedFunctionalGroup(ci.id, functionalGroups)) {
         var _sGroup = sgroups.get(ci.id);
+        if ((_sGroup === null || _sGroup === void 0 ? void 0 : _sGroup.item) instanceof MonomerMicromolecule) {
+          return;
+        }
         this.editor.update(fromFragmentDeletion(rnd.ctab, {
           atoms: _toConsumableArray(SGroup$1.getAtoms(molecule, _sGroup === null || _sGroup === void 0 ? void 0 : _sGroup.item)),
           bonds: _toConsumableArray(SGroup$1.getBonds(molecule, _sGroup === null || _sGroup === void 0 ? void 0 : _sGroup.item))
@@ -20976,12 +21037,6 @@ var PasteTool = function () {
         this.dragCtx.action = action;
         this.editor.update(this.dragCtx.action, true);
       } else {
-        var _struct = this.editor.struct();
-        this.struct.sgroups.forEach(function (sgroup) {
-          if (sgroup.isNotContractible(_struct)) {
-            sgroup.setAttr('expanded', true);
-          }
-        });
         var _fromPaste5 = fromPaste(this.restruct, this.struct, this.editor.render.page2obj(event)),
           _fromPaste6 = _slicedToArray$1(_fromPaste5, 2),
           _action = _fromPaste6[0],
@@ -23888,6 +23943,106 @@ function ButtonGroup(_ref) {
   });
 }
 
+var useAddAttachmentPoint = function useAddAttachmentPoint() {
+  var _useAppContext = useAppContext(),
+    getKetcherInstance = _useAppContext.getKetcherInstance;
+  var handler = useCallback( function () {
+    var _ref2 = _asyncToGenerator( _regeneratorRuntime.mark(function _callee(_ref) {
+      var _props$atomIds;
+      var props, editor, restruct, struct, atomId, sgroup, bondAdditionResult, action, addedLeavingGroupAtomId, moleculeAtoms, sgroupAttachmentPoints, lastAttachmentPoint;
+      return _regeneratorRuntime.wrap(function _callee$(_context) {
+        while (1) switch (_context.prev = _context.next) {
+          case 0:
+            props = _ref.props;
+            editor = getKetcherInstance().editor;
+            restruct = editor.render.ctab;
+            struct = editor.struct();
+            atomId = props === null || props === void 0 || (_props$atomIds = props.atomIds) === null || _props$atomIds === void 0 ? void 0 : _props$atomIds[0];
+            sgroup = struct.getGroupFromAtomId(atomId);
+            if (isNumber(atomId)) {
+              _context.next = 8;
+              break;
+            }
+            return _context.abrupt("return");
+          case 8:
+            bondAdditionResult = fromBondAddition(restruct, {
+              type: Bond$2.PATTERN.TYPE.SINGLE
+            }, atomId, {
+              label: 'H'
+            });
+            action = bondAdditionResult[0];
+            addedLeavingGroupAtomId = bondAdditionResult[2];
+            if (!sgroup) {
+              moleculeAtoms = struct.findConnectedComponent(atomId);
+              action.mergeWith(fromSgroupAddition(restruct, SGroup$1.TYPES.SUP, moleculeAtoms, {
+                expanded: true
+              }, restruct.molecule.sgroups.newId(), [new SGroupAttachmentPoint(atomId, addedLeavingGroupAtomId, undefined, 1)]));
+            } else {
+              sgroupAttachmentPoints = (sgroup === null || sgroup === void 0 ? void 0 : sgroup.getAttachmentPoints()) || [];
+              lastAttachmentPoint = sgroupAttachmentPoints[sgroupAttachmentPoints.length - 1];
+              action.mergeWith(fromSgroupAttachmentPointAddition(restruct, sgroup.id, new SGroupAttachmentPoint(atomId, addedLeavingGroupAtomId, undefined, (lastAttachmentPoint.attachmentPointNumber || 0) + 1)));
+            }
+            editor.update(action);
+            editor.selection(null);
+          case 14:
+          case "end":
+            return _context.stop();
+        }
+      }, _callee);
+    }));
+    return function (_x) {
+      return _ref2.apply(this, arguments);
+    };
+  }(), [getKetcherInstance]);
+  return [handler];
+};
+
+var useRemoveAttachmentPoint = function useRemoveAttachmentPoint() {
+  var _useAppContext = useAppContext(),
+    getKetcherInstance = _useAppContext.getKetcherInstance;
+  var handler = useCallback( function () {
+    var _ref2 = _asyncToGenerator( _regeneratorRuntime.mark(function _callee(_ref) {
+      var _props$atomIds;
+      var props, editor, restruct, struct, atomId, sgroup, sgroupAttachmentPoints, atomExternalConnections, atomFreeAttachmentPoints, attachmentPointToDelete, action;
+      return _regeneratorRuntime.wrap(function _callee$(_context) {
+        while (1) switch (_context.prev = _context.next) {
+          case 0:
+            props = _ref.props;
+            editor = getKetcherInstance().editor;
+            restruct = editor.render.ctab;
+            struct = editor.struct();
+            atomId = props === null || props === void 0 || (_props$atomIds = props.atomIds) === null || _props$atomIds === void 0 ? void 0 : _props$atomIds[0];
+            sgroup = struct.getGroupFromAtomId(atomId);
+            sgroupAttachmentPoints = (sgroup === null || sgroup === void 0 ? void 0 : sgroup.getAttachmentPoints()) || [];
+            atomExternalConnections = Atom$2.getAttachmentAtomExternalConnections(struct, atomId);
+            atomFreeAttachmentPoints = sgroupAttachmentPoints === null || sgroupAttachmentPoints === void 0 ? void 0 : sgroupAttachmentPoints.filter(function (attachmentPoint) {
+              return attachmentPoint.atomId === atomId && !(atomExternalConnections !== null && atomExternalConnections !== void 0 && atomExternalConnections.find(function (_, bond) {
+                return bond.endSuperatomAttachmentPointNumber === attachmentPoint.attachmentPointNumber || bond.beginSuperatomAttachmentPointNumber === attachmentPoint.attachmentPointNumber;
+              }));
+            });
+            attachmentPointToDelete = atomFreeAttachmentPoints[atomFreeAttachmentPoints.length - 1];
+            if (!(!isNumber(atomId) || !attachmentPointToDelete)) {
+              _context.next = 12;
+              break;
+            }
+            return _context.abrupt("return");
+          case 12:
+            action = fromOneAtomDeletion(restruct, attachmentPointToDelete.leaveAtomId);
+            editor.update(action);
+            editor.selection(null);
+          case 15:
+          case "end":
+            return _context.stop();
+        }
+      }, _callee);
+    }));
+    return function (_x) {
+      return _ref2.apply(this, arguments);
+    };
+  }(), [getKetcherInstance]);
+  return [handler];
+};
+
 function ownKeys$M(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
 function _objectSpread$M(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$M(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$M(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
 var _atom$properties = atom.properties,
@@ -23956,10 +24111,16 @@ var atomPropertiesForSubMenu = [{
   };
 })));
 var AtomMenuItems = function AtomMenuItems(props) {
-  var _props$propsFromTrigg4;
+  var _props$propsFromTrigg4, _props$propsFromTrigg5, _props$propsFromTrigg6;
   var _useAtomEdit = useAtomEdit(),
     _useAtomEdit2 = _slicedToArray$1(_useAtomEdit, 1),
     handleEdit = _useAtomEdit2[0];
+  var _useAddAttachmentPoin = useAddAttachmentPoint(),
+    _useAddAttachmentPoin2 = _slicedToArray$1(_useAddAttachmentPoin, 1),
+    handleAddAttachmentPoint = _useAddAttachmentPoin2[0];
+  var _useRemoveAttachmentP = useRemoveAttachmentPoint(),
+    _useRemoveAttachmentP2 = _slicedToArray$1(_useRemoveAttachmentP, 1),
+    handleRemoveAttachmentPoint = _useRemoveAttachmentP2[0];
   var _useAtomStereo = useAtomStereo(),
     _useAtomStereo2 = _slicedToArray$1(_useAtomStereo, 2),
     handleStereo = _useAtomStereo2[0],
@@ -23968,6 +24129,7 @@ var AtomMenuItems = function AtomMenuItems(props) {
   var _useAppContext = useAppContext(),
     getKetcherInstance = _useAppContext.getKetcherInstance;
   var editor = getKetcherInstance().editor;
+  var struct = editor.struct();
   var getPropertyValue = function getPropertyValue(key) {
     var _props$propsFromTrigg;
     var ctab = editor.render.ctab;
@@ -23995,10 +24157,24 @@ var AtomMenuItems = function AtomMenuItems(props) {
       });
     }
   };
+  var onlyOneAtomSelected = ((_props$propsFromTrigg4 = props.propsFromTrigger) === null || _props$propsFromTrigg4 === void 0 || (_props$propsFromTrigg4 = _props$propsFromTrigg4.atomIds) === null || _props$propsFromTrigg4 === void 0 ? void 0 : _props$propsFromTrigg4.length) === 1;
+  var selectedAtomId = (_props$propsFromTrigg5 = props.propsFromTrigger) === null || _props$propsFromTrigg5 === void 0 || (_props$propsFromTrigg5 = _props$propsFromTrigg5.atomIds) === null || _props$propsFromTrigg5 === void 0 ? void 0 : _props$propsFromTrigg5[0];
+  var sgroup = isNumber(selectedAtomId) ? struct.getGroupFromAtomId(selectedAtomId) : undefined;
+  var atomInSgroupWithLabel = sgroup && !(sgroup !== null && sgroup !== void 0 && sgroup.isSuperatomWithoutLabel);
+  var attachmentPoints = (sgroup === null || sgroup === void 0 ? void 0 : sgroup.getAttachmentPoints()) || [];
+  var maxAttachmentPointsAmount = attachmentPoints.length >= 8;
+  var isAtomSuperatomAttachmentPoint = Atom$2.isSuperatomAttachmentAtom(struct, selectedAtomId);
+  var isAtomSuperatomLeavingGroup = Atom$2.isSuperatomLeavingGroupAtom(struct, selectedAtomId);
+  var atomExternalConnections = isNumber(selectedAtomId) ? Atom$2.getAttachmentAtomExternalConnections(struct, selectedAtomId) : undefined;
+  var atomFreeAttachmentPoints = attachmentPoints === null || attachmentPoints === void 0 ? void 0 : attachmentPoints.filter(function (attachmentPoint) {
+    return attachmentPoint.atomId === selectedAtomId && !(atomExternalConnections !== null && atomExternalConnections !== void 0 && atomExternalConnections.some(function (bond) {
+      return bond.endSuperatomAttachmentPointNumber === attachmentPoint.attachmentPointNumber || bond.beginSuperatomAttachmentPointNumber === attachmentPoint.attachmentPointNumber;
+    }));
+  });
   return jsxs(Fragment, {
     children: [jsx(Item, _objectSpread$M(_objectSpread$M({}, props), {}, {
       onClick: handleEdit,
-      children: (_props$propsFromTrigg4 = props.propsFromTrigger) !== null && _props$propsFromTrigg4 !== void 0 && _props$propsFromTrigg4.extraItemsSelected ? 'Edit selected atoms...' : 'Edit...'
+      children: (_props$propsFromTrigg6 = props.propsFromTrigger) !== null && _props$propsFromTrigg6 !== void 0 && _props$propsFromTrigg6.extraItemsSelected ? 'Edit selected atoms...' : 'Edit...'
     })), jsx(Item, _objectSpread$M(_objectSpread$M({}, props), {}, {
       disabled: stereoDisabled,
       onClick: handleStereo,
@@ -24024,6 +24200,12 @@ var AtomMenuItems = function AtomMenuItems(props) {
           }
         }));
       })
+    })), onlyOneAtomSelected && !atomInSgroupWithLabel && !maxAttachmentPointsAmount && !isAtomSuperatomLeavingGroup && jsx(Item, _objectSpread$M(_objectSpread$M({}, props), {}, {
+      onClick: handleAddAttachmentPoint,
+      children: "Add attachment point"
+    })), isAtomSuperatomAttachmentPoint && atomFreeAttachmentPoints.length > 0 && jsx(Item, _objectSpread$M(_objectSpread$M({}, props), {}, {
+      onClick: handleRemoveAttachmentPoint,
+      children: "Remove attachment point"
     })), jsx(Item, _objectSpread$M(_objectSpread$M({}, props), {}, {
       onClick: handleDelete,
       children: "Delete"
@@ -24593,7 +24775,7 @@ function getMenuPropsForClosestItem(editor, closestItem) {
     case 'bonds':
       {
         var functionalGroup = FunctionalGroup.findFunctionalGroupByBond(struct, struct.functionalGroups, closestItem.id, true);
-        return functionalGroup === null ? {
+        return functionalGroup === null || functionalGroup !== null && functionalGroup !== void 0 && functionalGroup.relatedSGroup.isSuperatomWithoutLabel ? {
           id: CONTEXT_MENU_ID.FOR_BONDS,
           bondIds: [closestItem.id]
         } : {
@@ -24604,7 +24786,7 @@ function getMenuPropsForClosestItem(editor, closestItem) {
     case 'atoms':
       {
         var _functionalGroup = FunctionalGroup.findFunctionalGroupByAtom(struct.functionalGroups, closestItem.id, true);
-        return _functionalGroup === null ? {
+        return _functionalGroup === null || _functionalGroup !== null && _functionalGroup !== void 0 && _functionalGroup.relatedSGroup.isSuperatomWithoutLabel ? {
           id: CONTEXT_MENU_ID.FOR_ATOMS,
           atomIds: [closestItem.id]
         } : {
@@ -24693,9 +24875,9 @@ var ContextMenuTrigger = function ContextMenuTrigger(_ref) {
     var selectedSGroupsIds = new Set();
     selectedAtomIds === null || selectedAtomIds === void 0 || selectedAtomIds.forEach(function (atomId) {
       var functionalGroup = FunctionalGroup.findFunctionalGroupByAtom(struct.functionalGroups, atomId, true);
-      functionalGroup !== null && selectedFunctionalGroups.set(functionalGroup.relatedSGroupId, functionalGroup);
+      functionalGroup !== null && functionalGroup.relatedSGroup && !functionalGroup.relatedSGroup.isSuperatomWithoutLabel && selectedFunctionalGroups.set(functionalGroup.relatedSGroupId, functionalGroup);
       var sGroupId = struct.sgroups.find(function (_, sGroup) {
-        return sGroup.atoms.includes(atomId);
+        return !sGroup.isSuperatomWithoutLabel && sGroup.atoms.includes(atomId);
       });
       sGroupId !== null && selectedSGroupsIds.add(sGroupId);
     });
@@ -27918,8 +28100,7 @@ function pseudoAtomValid(value, atomType, isCustomQuery) {
   return value && isGenericElement;
 }
 function chargeValid(charge, isMultipleAtoms, isCustomQuery) {
-  var regex = new RegExp(atom.properties.charge.pattern);
-  var result = regex.exec(charge);
+  var result = matchCharge(charge);
   var isValidCharge = result && (result[1] === '' || result[3] === '');
   if (isCustomQuery || charge === '') {
     return true;
@@ -32759,8 +32940,8 @@ var KetcherBuilder = function () {
                 initApp(element, appRoot, staticResourcesUrl, {
                   buttons: buttons || {},
                   errorHandler: errorHandler || null,
-                  version: "2.21.0-rc.2" ,
-                  buildDate: "2024-05-07T11:51:00" ,
+                  version: "2.22.0-rc.2" ,
+                  buildDate: "2024-06-03T17:53:41" ,
                   buildNumber: ''
                 }, structService, resolve, togglerComponent);
               });