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November 28, 2016 11:48
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Urea
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{ | |
"cells": [ | |
{ | |
"cell_type": "code", | |
"execution_count": 1, | |
"metadata": { | |
"collapsed": true | |
}, | |
"outputs": [], | |
"source": [ | |
"from rdkit import Chem\n", | |
"from rdkit.Chem import AllChem\n", | |
"from rdkit.Chem.Draw import IPythonConsole\n", | |
"import py3Dmol\n", | |
"from ipywidgets import interact, interactive, fixed" | |
] | |
}, | |
{ | |
"cell_type": "code", | |
"execution_count": 2, | |
"metadata": { | |
"collapsed": true | |
}, | |
"outputs": [], | |
"source": [ | |
"urea = Chem.MolFromSmiles(\"NC(=O)NC1=CC=CC=C1\")\n", | |
"h_urea = Chem.AddHs(urea)" | |
] | |
}, | |
{ | |
"cell_type": "code", | |
"execution_count": 3, | |
"metadata": { | |
"collapsed": false | |
}, | |
"outputs": [], | |
"source": [ | |
"idxList = AllChem.EmbedMultipleConfs(h_urea,numConfs=20,randomSeed=0xf00d,\n", | |
" useExpTorsionAnglePrefs=True,useBasicKnowledge=True)" | |
] | |
}, | |
{ | |
"cell_type": "code", | |
"execution_count": 4, | |
"metadata": { | |
"collapsed": true | |
}, | |
"outputs": [], | |
"source": [ | |
"h_ureaAdjDihedral = Chem.Mol(h_urea)" | |
] | |
}, | |
{ | |
"cell_type": "code", | |
"execution_count": 5, | |
"metadata": { | |
"collapsed": true | |
}, | |
"outputs": [], | |
"source": [ | |
"h_ureaMin = Chem.Mol(h_urea)" | |
] | |
}, | |
{ | |
"cell_type": "code", | |
"execution_count": 6, | |
"metadata": { | |
"collapsed": false | |
}, | |
"outputs": [], | |
"source": [ | |
"ureaDihedral = h_ureaAdjDihedral.GetSubstructMatch(Chem.MolFromSmarts('[H]N([H])C=O'))\n", | |
"for i in idxList:\n", | |
" conf = h_ureaAdjDihedral.GetConformer(i)\n", | |
" distVector = [(AllChem.GetBondLength(conf, ureaDihedral[0], ureaDihedral[4]), ureaDihedral[0]),\n", | |
" (AllChem.GetBondLength(conf, ureaDihedral[2], ureaDihedral[4]), ureaDihedral[2])]\n", | |
" distVector.sort()\n", | |
" AllChem.SetDihedralDeg(conf, distVector[1][1], ureaDihedral[1],\n", | |
" ureaDihedral[3], ureaDihedral[4], 0)" | |
] | |
}, | |
{ | |
"cell_type": "code", | |
"execution_count": 7, | |
"metadata": { | |
"collapsed": false | |
}, | |
"outputs": [], | |
"source": [ | |
"mp = AllChem.MMFFGetMoleculeProperties(h_ureaMin)\n", | |
"for i in idxList:\n", | |
" ff = AllChem.MMFFGetMoleculeForceField(h_ureaMin, mp, confId=i)\n", | |
" ff.Minimize()" | |
] | |
}, | |
{ | |
"cell_type": "code", | |
"execution_count": 8, | |
"metadata": { | |
"collapsed": true | |
}, | |
"outputs": [], | |
"source": [ | |
"AllChem.AlignMolConformers(h_urea,\n", | |
" h_urea.GetSubstructMatch(Chem.MolFromSmiles('C(=O)N')))" | |
] | |
}, | |
{ | |
"cell_type": "code", | |
"execution_count": 9, | |
"metadata": { | |
"collapsed": true | |
}, | |
"outputs": [], | |
"source": [ | |
"AllChem.AlignMolConformers(h_ureaAdjDihedral,\n", | |
" h_ureaAdjDihedral.GetSubstructMatch(Chem.MolFromSmiles('C(=O)N')))" | |
] | |
}, | |
{ | |
"cell_type": "code", | |
"execution_count": 10, | |
"metadata": { | |
"collapsed": true | |
}, | |
"outputs": [], | |
"source": [ | |
"AllChem.AlignMolConformers(h_ureaMin,\n", | |
" h_ureaMin.GetSubstructMatch(Chem.MolFromSmiles('C(=O)N')))" | |
] | |
}, | |
{ | |
"cell_type": "code", | |
"execution_count": 11, | |
"metadata": { | |
"collapsed": true | |
}, | |
"outputs": [], | |
"source": [ | |
"p = py3Dmol.view(width=400,height=400)" | |
] | |
}, | |
{ | |
"cell_type": "code", | |
"execution_count": 12, | |
"metadata": { | |
"collapsed": true | |
}, | |
"outputs": [], | |
"source": [ | |
"def drawit(m,p,confId=-1):\n", | |
" mb = Chem.MolToMolBlock(m,confId=confId)\n", | |
" p.removeAllModels()\n", | |
" p.addModel(mb,'sdf')\n", | |
" p.setStyle({'stick':{}})\n", | |
" p.setBackgroundColor('0xeeeeee')\n", | |
" p.zoomTo()\n", | |
" return p.show()" | |
] | |
}, | |
{ | |
"cell_type": "code", | |
"execution_count": 13, | |
"metadata": { | |
"collapsed": false | |
}, | |
"outputs": [ | |
{ | |
"data": { | |
"text/html": [ | |
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"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0640 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3521 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3521 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3521 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7281 0.5712 0.0740 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3656 -0.6343 0.5553 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1916 -1.3462 1.1186 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0974 -1.0625 0.3474 N 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0725 -0.4009 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.2213 0.9871 -0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4276 1.5593 -0.5318 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.4992 0.7490 -0.8985 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.3706 -0.6353 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1662 -1.2059 -0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7235 0.7354 0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3532 0.7948 -0.8375 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0011 -2.0433 0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5648 1.6571 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5330 2.6412 -0.5551 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.4363 1.1961 -1.2198 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2073 -1.2727 -1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0912 -2.2900 -0.3757 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4733 0.5100 -0.1589 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5573 -0.6167 -0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1426 -1.7117 0.1336 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1777 -0.4223 -0.1347 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1938 -1.4232 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3998 -2.7342 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6679 -3.6496 0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9420 -3.2907 0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.1760 -1.9903 -0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1362 -1.1003 -0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.2024 1.3704 0.3477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.3354 0.4646 -0.7046 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8734 0.5916 -0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3915 -3.0762 0.5777 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.4655 -4.6666 0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.7296 -4.0242 0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.1888 -1.7002 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3133 -0.0631 -0.6241 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4850 0.4983 -0.1568 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5309 -0.6186 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1572 -1.6981 0.1324 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2019 -0.4335 -0.1306 N 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.1427 -0.2462 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5561 1.0927 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8666 1.4250 -0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8234 0.5030 -0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.4772 -0.7925 -0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1323 -1.1343 -0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.0077 0.7694 0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.5423 0.9199 -1.0955 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0067 -1.7267 0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2030 1.8406 0.3402 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.1633 2.4690 0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.8724 0.8193 -0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2130 -1.5215 -0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.8877 -2.1657 -0.7961 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4733 0.5100 -0.1589 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5573 -0.6167 -0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1426 -1.7117 0.1336 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1777 -0.4223 -0.1347 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1938 -1.4232 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3998 -2.7342 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6679 -3.6496 0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9420 -3.2907 0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.1760 -1.9903 -0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1362 -1.1003 -0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.2024 1.3704 0.3477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.3354 0.4646 -0.7046 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8734 0.5916 -0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3915 -3.0762 0.5777 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.4655 -4.6666 0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.7296 -4.0242 0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.1888 -1.7002 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3133 -0.0631 -0.6241 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4685 0.5209 -0.1607 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5703 -0.6168 -0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1343 -1.7226 0.1347 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1835 -0.4393 -0.1321 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2031 -1.4434 -0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4638 -2.6949 0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5697 -3.6504 0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8495 -3.3806 0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0967 -2.1122 -0.3836 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0999 -1.1738 -0.4412 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.4027 0.5189 0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1446 1.3398 -0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8579 0.5850 -0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.4223 -3.0234 0.7962 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.3649 -4.6569 0.8699 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.6558 -4.0962 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.1139 -1.8744 -0.7123 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3117 -0.1745 -0.8175 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4685 0.5103 -0.1592 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5673 -0.6170 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1373 -1.7117 0.1334 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2035 -0.3862 -0.1385 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1330 -1.3089 -0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2996 -2.6571 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.7989 -3.5328 0.2061 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0887 -3.0783 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2676 -1.7297 -0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1957 -0.8701 -0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6091 0.9971 -1.0728 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.9779 0.8302 0.6905 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9264 0.6418 -0.2936 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2865 -3.0913 0.2405 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6362 -4.5913 0.3604 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9177 -3.7674 0.1415 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2854 -1.3776 -0.2068 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3297 0.2050 -0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4563 0.5081 -0.1595 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5895 -0.6139 -0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1273 -1.7126 0.1331 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2073 -0.4626 -0.1278 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1873 -1.4275 -0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3841 -2.7759 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6773 -3.6922 0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9592 -3.2661 0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2002 -1.9255 -0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1528 -1.0341 -0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.1182 0.8162 0.5655 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.3886 1.0400 -1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8611 0.5403 -0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3648 -3.1805 0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.4595 -4.7473 0.3912 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.7885 -3.9743 0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2243 -1.5658 -0.1793 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3550 0.0246 -0.3141 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4666 0.5301 -0.1620 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5806 -0.6230 -0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1260 -1.7256 0.1348 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2192 -0.3561 -0.1420 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2085 -1.3335 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3892 -2.5873 0.4871 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6319 -3.5495 0.5504 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8730 -3.2071 0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.1057 -1.9604 -0.4947 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0889 -1.0517 -0.5394 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7935 0.9271 0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6743 0.8289 -1.1186 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8643 0.6382 -0.2961 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3429 -2.8985 0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.4053 -4.5101 0.9845 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.6410 -3.9486 0.1048 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.0798 -1.7165 -0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2149 -0.0649 -0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4659 0.5066 -0.1588 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5709 -0.6164 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1363 -1.7086 0.1329 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1954 -0.4232 -0.1338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2242 -1.4328 -0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1203 -1.0531 0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.1513 -1.9546 0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9116 -3.3079 0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6132 -3.7091 -0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4342 -2.7760 -0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.3360 0.4207 -0.6956 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.2121 1.3873 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8852 0.6035 -0.2889 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2983 0.0068 0.1859 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.1797 -1.6470 0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.7400 -4.0184 0.1975 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.3812 -4.7607 -0.1012 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.4422 -3.1450 -0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4599 0.5077 -0.1592 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5823 -0.6143 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1309 -1.7119 0.1331 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1964 -0.4108 -0.1354 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1627 -1.3676 -0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3426 -2.7136 0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.7340 -3.6102 0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0115 -3.1263 0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2412 -1.7783 -0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1609 -0.9340 -0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1387 1.3954 0.2819 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.3642 0.4950 -0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8701 0.6113 -0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3291 -3.1444 0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5054 -4.6549 0.3743 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8430 -3.8128 0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2463 -1.3914 -0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4055 0.1297 -0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4583 0.5168 -0.1606 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5901 -0.6173 -0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1247 -1.7180 0.1337 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2070 -0.4452 -0.1302 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1793 -1.3975 -0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3661 -2.7294 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.7081 -3.6327 0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9860 -3.1466 0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2177 -1.8031 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1486 -0.9681 -0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.2554 0.4735 -0.8319 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.3149 1.3889 0.4094 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9198 0.5964 -0.2876 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3539 -3.1534 0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5182 -4.6850 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8387 -3.8381 0.1551 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2441 -1.4566 -0.1919 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3225 0.0712 -0.3159 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4612 0.5143 -0.1601 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5852 -0.6202 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1267 -1.7125 0.1330 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2099 -0.3958 -0.1369 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1552 -1.3253 -0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3585 -2.6560 0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6979 -3.5824 0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9879 -3.1412 0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2420 -1.7897 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1817 -0.9227 -0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.0415 0.5577 -1.0158 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.4420 1.1959 0.6186 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8509 0.6220 -0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3240 -3.1185 0.2465 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5246 -4.6384 0.3725 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8359 -3.8253 0.1531 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2524 -1.4462 -0.1965 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4094 0.1187 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4738 0.4986 -0.1573 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5515 -0.6147 -0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1478 -1.7024 0.1326 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1753 -0.3974 -0.1383 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1266 -1.3111 -0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2704 -2.6611 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.7839 -3.5565 0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0629 -3.0877 0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2666 -1.7417 -0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2008 -0.8707 -0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.4002 1.2189 0.5661 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.1587 0.5480 -0.9269 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8979 0.6315 -0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2367 -3.0928 0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5886 -4.6225 0.3664 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9130 -3.7553 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2930 -1.4130 -0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3941 0.1743 -0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4582 0.5375 -0.1634 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5997 -0.6226 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1152 -1.7333 0.1354 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2224 -0.4274 -0.1320 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1969 -1.3936 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3575 -2.7246 0.2553 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.7037 -3.6352 0.3203 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9768 -3.1897 0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.1840 -1.8648 -0.2267 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1244 -0.9953 -0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.3263 1.3228 0.5022 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.1843 0.5703 -0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8912 0.5720 -0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3393 -3.1246 0.4603 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5491 -4.6758 0.5568 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8161 -3.8712 0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.1984 -1.5197 -0.4194 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3315 0.0388 -0.5251 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4625 0.5256 -0.1616 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5828 -0.6150 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1278 -1.7291 0.1354 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2018 -0.4882 -0.1245 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2427 -1.5113 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4692 -2.7911 0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5645 -3.7121 0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8412 -3.3920 0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0792 -2.1181 -0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0712 -1.1978 -0.4349 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.3072 0.5486 0.4114 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.2491 1.2974 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8464 0.5122 -0.2787 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.4393 -3.1001 0.7708 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.3090 -4.7092 0.8345 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.5976 -4.1624 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.0933 -1.8984 -0.7061 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3045 -0.1937 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4591 0.5090 -0.1595 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5844 -0.6144 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1296 -1.7130 0.1332 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2077 -0.4448 -0.1302 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1660 -1.3895 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3278 -2.7385 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.7613 -3.6234 0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0544 -3.1779 0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2282 -1.8278 -0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1659 -0.9573 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.8641 0.9713 0.7061 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7402 0.9251 -1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8902 0.5682 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3318 -3.1237 0.2454 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5572 -4.6556 0.3714 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9123 -3.8316 0.1509 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2410 -1.4463 -0.1935 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3311 0.1146 -0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4550 0.5091 -0.1597 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5922 -0.6132 -0.0436 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1260 -1.7144 0.1332 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2046 -0.4473 -0.1300 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1937 -1.4353 -0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1297 -1.0015 -0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.1755 -1.8886 -0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9474 -3.2391 0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6618 -3.7025 0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3709 -2.7745 0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.3263 1.3578 0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.2308 0.4654 -0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8931 0.5787 -0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3399 0.0398 -0.3138 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.1932 -1.5295 -0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.7803 -3.9184 0.1687 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.4682 -4.7558 0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3527 -3.1623 0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
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"});\n", | |
"</script>" | |
], | |
"text/plain": [ | |
"<IPython.core.display.HTML object>" | |
] | |
}, | |
"metadata": {}, | |
"output_type": "display_data" | |
} | |
], | |
"source": [ | |
"interact(drawit, m=fixed(h_urea),p=fixed(p),\n", | |
" confId=(0,h_urea.GetNumConformers()-1))" | |
] | |
}, | |
{ | |
"cell_type": "code", | |
"execution_count": 14, | |
"metadata": { | |
"collapsed": false | |
}, | |
"outputs": [ | |
{ | |
"data": { | |
"text/html": [ | |
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"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7281 0.5712 0.0740 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3656 -0.6343 0.5553 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1916 -1.3462 1.1186 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0974 -1.0625 0.3474 N 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0725 -0.4009 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.2213 0.9871 -0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4276 1.5593 -0.5318 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.4992 0.7490 -0.8985 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.3706 -0.6353 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1662 -1.2059 -0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7235 0.7354 0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3532 0.7948 -0.8375 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0011 -2.0433 0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5648 1.6571 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5330 2.6412 -0.5551 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.4363 1.1961 -1.2198 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2073 -1.2727 -1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0912 -2.2900 -0.3757 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3521 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0640 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3521 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3521 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3521 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7281 0.5712 0.0740 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3656 -0.6343 0.5553 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1916 -1.3462 1.1186 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0974 -1.0625 0.3474 N 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0725 -0.4009 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.2213 0.9871 -0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4276 1.5593 -0.5318 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.4992 0.7490 -0.8985 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.3706 -0.6353 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1662 -1.2059 -0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7235 0.7354 0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3532 0.7948 -0.8375 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0011 -2.0433 0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5648 1.6571 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5330 2.6412 -0.5551 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.4363 1.1961 -1.2198 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2073 -1.2727 -1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0912 -2.2900 -0.3757 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4733 0.5100 -0.1589 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5573 -0.6167 -0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1426 -1.7117 0.1336 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1777 -0.4223 -0.1347 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1938 -1.4232 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3998 -2.7342 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6679 -3.6496 0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9420 -3.2907 0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.1760 -1.9903 -0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1362 -1.1003 -0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.2024 1.3704 0.3477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.3354 0.4646 -0.7046 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8734 0.5916 -0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3915 -3.0762 0.5777 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.4655 -4.6666 0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.7296 -4.0242 0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.1888 -1.7002 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3133 -0.0631 -0.6241 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4850 0.4983 -0.1568 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5309 -0.6186 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1572 -1.6981 0.1324 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2019 -0.4335 -0.1306 N 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.1427 -0.2462 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5561 1.0927 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8666 1.4250 -0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8234 0.5030 -0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.4772 -0.7925 -0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1323 -1.1343 -0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.0077 0.7694 0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.5423 0.9199 -1.0955 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0067 -1.7267 0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2030 1.8406 0.3402 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.1633 2.4690 0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.8724 0.8193 -0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2130 -1.5215 -0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.8877 -2.1657 -0.7961 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4733 0.5100 -0.1589 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5573 -0.6167 -0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1426 -1.7117 0.1336 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1777 -0.4223 -0.1347 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1938 -1.4232 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3998 -2.7342 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6679 -3.6496 0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9420 -3.2907 0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.1760 -1.9903 -0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1362 -1.1003 -0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.2024 1.3704 0.3477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.3354 0.4646 -0.7046 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8734 0.5916 -0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3915 -3.0762 0.5777 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.4655 -4.6666 0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.7296 -4.0242 0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.1888 -1.7002 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3133 -0.0631 -0.6241 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4685 0.5209 -0.1607 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5703 -0.6168 -0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1343 -1.7226 0.1347 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1835 -0.4393 -0.1321 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2031 -1.4434 -0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4638 -2.6949 0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5697 -3.6504 0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8495 -3.3806 0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0967 -2.1122 -0.3836 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0999 -1.1738 -0.4412 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.4027 0.5189 0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1446 1.3398 -0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8579 0.5850 -0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.4223 -3.0234 0.7962 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.3649 -4.6569 0.8699 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.6558 -4.0962 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.1139 -1.8744 -0.7123 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3117 -0.1745 -0.8175 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4685 0.5103 -0.1592 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5673 -0.6170 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1373 -1.7117 0.1334 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2035 -0.3862 -0.1385 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1330 -1.3089 -0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2996 -2.6571 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.7989 -3.5328 0.2061 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0887 -3.0783 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2676 -1.7297 -0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1957 -0.8701 -0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6091 0.9971 -1.0728 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.9779 0.8302 0.6905 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9264 0.6418 -0.2936 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2865 -3.0913 0.2405 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6362 -4.5913 0.3604 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9177 -3.7674 0.1415 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2854 -1.3776 -0.2068 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3297 0.2050 -0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4563 0.5081 -0.1595 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5895 -0.6139 -0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1273 -1.7126 0.1331 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2073 -0.4626 -0.1278 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1873 -1.4275 -0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3841 -2.7759 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6773 -3.6922 0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9592 -3.2661 0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2002 -1.9255 -0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1528 -1.0341 -0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.1182 0.8162 0.5655 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.3886 1.0400 -1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8611 0.5403 -0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3648 -3.1805 0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.4595 -4.7473 0.3912 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.7885 -3.9743 0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2243 -1.5658 -0.1793 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3550 0.0246 -0.3141 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4666 0.5301 -0.1620 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5806 -0.6230 -0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1260 -1.7256 0.1348 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2192 -0.3561 -0.1420 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2085 -1.3335 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3892 -2.5873 0.4871 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6319 -3.5495 0.5504 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8730 -3.2071 0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.1057 -1.9604 -0.4947 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0889 -1.0517 -0.5394 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7935 0.9271 0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6743 0.8289 -1.1186 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8643 0.6382 -0.2961 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3429 -2.8985 0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.4053 -4.5101 0.9845 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.6410 -3.9486 0.1048 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.0798 -1.7165 -0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2149 -0.0649 -0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4659 0.5066 -0.1588 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5709 -0.6164 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1363 -1.7086 0.1329 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1954 -0.4232 -0.1338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2242 -1.4328 -0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1203 -1.0531 0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.1513 -1.9546 0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9116 -3.3079 0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6132 -3.7091 -0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4342 -2.7760 -0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.3360 0.4207 -0.6956 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.2121 1.3873 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8852 0.6035 -0.2889 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2983 0.0068 0.1859 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.1797 -1.6470 0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.7400 -4.0184 0.1975 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.3812 -4.7607 -0.1012 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.4422 -3.1450 -0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4599 0.5077 -0.1592 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5823 -0.6143 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1309 -1.7119 0.1331 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1964 -0.4108 -0.1354 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1627 -1.3676 -0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3426 -2.7136 0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.7340 -3.6102 0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0115 -3.1263 0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2412 -1.7783 -0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1609 -0.9340 -0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1387 1.3954 0.2819 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.3642 0.4950 -0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8701 0.6113 -0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3291 -3.1444 0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5054 -4.6549 0.3743 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8430 -3.8128 0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2463 -1.3914 -0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4055 0.1297 -0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4583 0.5168 -0.1606 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5901 -0.6173 -0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1247 -1.7180 0.1337 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2070 -0.4452 -0.1302 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1793 -1.3975 -0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3661 -2.7294 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.7081 -3.6327 0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9860 -3.1466 0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2177 -1.8031 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1486 -0.9681 -0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.2554 0.4735 -0.8319 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.3149 1.3889 0.4094 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9198 0.5964 -0.2876 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3539 -3.1534 0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5182 -4.6850 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8387 -3.8381 0.1551 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2441 -1.4566 -0.1919 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3225 0.0712 -0.3159 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4612 0.5143 -0.1601 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5852 -0.6202 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1267 -1.7125 0.1330 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2099 -0.3958 -0.1369 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1552 -1.3253 -0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3585 -2.6560 0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6979 -3.5824 0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9879 -3.1412 0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2420 -1.7897 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1817 -0.9227 -0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.0415 0.5577 -1.0158 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.4420 1.1959 0.6186 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8509 0.6220 -0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3240 -3.1185 0.2465 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5246 -4.6384 0.3725 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8359 -3.8253 0.1531 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2524 -1.4462 -0.1965 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4094 0.1187 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4738 0.4986 -0.1573 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5515 -0.6147 -0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1478 -1.7024 0.1326 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1753 -0.3974 -0.1383 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1266 -1.3111 -0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2704 -2.6611 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.7839 -3.5565 0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0629 -3.0877 0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2666 -1.7417 -0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2008 -0.8707 -0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.4002 1.2189 0.5661 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.1587 0.5480 -0.9269 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8979 0.6315 -0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2367 -3.0928 0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5886 -4.6225 0.3664 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9130 -3.7553 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2930 -1.4130 -0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3941 0.1743 -0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4582 0.5375 -0.1634 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5997 -0.6226 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1152 -1.7333 0.1354 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2224 -0.4274 -0.1320 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1969 -1.3936 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3575 -2.7246 0.2553 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.7037 -3.6352 0.3203 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9768 -3.1897 0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.1840 -1.8648 -0.2267 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1244 -0.9953 -0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.3263 1.3228 0.5022 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.1843 0.5703 -0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8912 0.5720 -0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3393 -3.1246 0.4603 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5491 -4.6758 0.5568 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8161 -3.8712 0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.1984 -1.5197 -0.4194 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3315 0.0388 -0.5251 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4625 0.5256 -0.1616 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5828 -0.6150 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1278 -1.7291 0.1354 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2018 -0.4882 -0.1245 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2427 -1.5113 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4692 -2.7911 0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5645 -3.7121 0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8412 -3.3920 0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0792 -2.1181 -0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0712 -1.1978 -0.4349 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.3072 0.5486 0.4114 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.2491 1.2974 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8464 0.5122 -0.2787 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.4393 -3.1001 0.7708 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.3090 -4.7092 0.8345 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.5976 -4.1624 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.0933 -1.8984 -0.7061 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3045 -0.1937 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4591 0.5090 -0.1595 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5844 -0.6144 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1296 -1.7130 0.1332 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2077 -0.4448 -0.1302 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1660 -1.3895 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3278 -2.7385 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.7613 -3.6234 0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0544 -3.1779 0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2282 -1.8278 -0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1659 -0.9573 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.8641 0.9713 0.7061 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7402 0.9251 -1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8902 0.5682 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3318 -3.1237 0.2454 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5572 -4.6556 0.3714 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9123 -3.8316 0.1509 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2410 -1.4463 -0.1935 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3311 0.1146 -0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4550 0.5091 -0.1597 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5922 -0.6132 -0.0436 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1260 -1.7144 0.1332 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2046 -0.4473 -0.1300 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1937 -1.4353 -0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1297 -1.0015 -0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.1755 -1.8886 -0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9474 -3.2391 0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6618 -3.7025 0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3709 -2.7745 0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.3263 1.3578 0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.2308 0.4654 -0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8931 0.5787 -0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3399 0.0398 -0.3138 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.1932 -1.5295 -0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.7803 -3.9184 0.1687 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.4682 -4.7558 0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3527 -3.1623 0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4711 0.4972 -0.1573 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5571 -0.6155 -0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1450 -1.7001 0.1321 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1898 -0.3598 -0.1428 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1113 -1.2668 -0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2498 -2.6142 0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.8121 -3.5050 0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0847 -3.0406 0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2904 -1.7033 -0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2206 -0.8353 -0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.9702 0.7614 0.7117 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6476 1.0225 -1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8773 0.6607 -0.2984 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2297 -3.0446 0.2308 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6342 -4.5607 0.3556 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9585 -3.6882 0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2881 -1.2686 -0.2215 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3723 0.2279 -0.3412 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4688 0.5262 -0.1614 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5706 -0.6155 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1338 -1.7292 0.1356 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2081 -0.3638 -0.1414 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1268 -1.2650 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3084 -2.6041 0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.8005 -3.4617 0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0905 -3.0061 0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2801 -1.6577 -0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1881 -0.8265 -0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.2172 1.3336 -0.7768 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.3636 0.5279 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9479 0.6770 -0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2552 -3.0732 0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6482 -4.5350 0.3514 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9141 -3.7147 0.1344 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2960 -1.3045 -0.2168 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3402 0.2323 -0.3403 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4635 0.5158 -0.1602 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5820 -0.6221 -0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1276 -1.7122 0.1330 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2106 -0.4306 -0.1320 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2645 -1.4827 -0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0546 -1.2342 -0.4567 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0653 -2.1541 -0.3884 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8038 -3.3993 0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5323 -3.6942 0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4764 -2.7288 0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.3578 0.4767 -0.6809 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1392 1.3768 0.3137 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8640 0.5679 -0.2881 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2356 -0.2305 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.0657 -1.9477 -0.7239 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.5655 -4.1708 0.2088 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.3080 -4.6723 0.9795 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.4297 -3.0106 0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4711 0.4972 -0.1573 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5571 -0.6155 -0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1450 -1.7001 0.1321 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1898 -0.3598 -0.1428 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1113 -1.2668 -0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2498 -2.6142 0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.8121 -3.5050 0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0847 -3.0406 0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2904 -1.7033 -0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2206 -0.8353 -0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.9702 0.7614 0.7117 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6476 1.0225 -1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8773 0.6607 -0.2984 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2297 -3.0446 0.2308 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6342 -4.5607 0.3556 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9585 -3.6882 0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2881 -1.2686 -0.2215 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3723 0.2279 -0.3412 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4644 0.5191 -0.1606 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5806 -0.6212 -0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1281 -1.7164 0.1336 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1946 -0.4286 -0.1330 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2052 -1.4304 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4285 -2.7824 -0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6250 -3.7071 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9213 -3.2736 0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.1283 -1.9257 0.2329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1224 -0.9944 0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.4283 1.3096 0.5058 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.1486 0.5422 -0.9309 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8714 0.5876 -0.2911 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.4148 -3.1772 -0.2279 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.4198 -4.7694 -0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.7094 -4.0160 0.2723 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.1402 -1.5424 0.3619 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3058 0.0704 0.1638 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4738 0.4986 -0.1573 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5515 -0.6147 -0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1478 -1.7024 0.1326 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1753 -0.3974 -0.1383 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1266 -1.3111 -0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2704 -2.6611 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.7839 -3.5565 0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0629 -3.0877 0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2666 -1.7417 -0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2008 -0.8707 -0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.4002 1.2189 0.5661 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.1587 0.5480 -0.9269 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8979 0.6315 -0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2367 -3.0928 0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5886 -4.6225 0.3664 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9130 -3.7553 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2930 -1.4130 -0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3941 0.1743 -0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
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"});\n", | |
"</script>" | |
], | |
"text/plain": [ | |
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] | |
}, | |
"metadata": {}, | |
"output_type": "display_data" | |
} | |
], | |
"source": [ | |
"interact(drawit, m=fixed(h_ureaAdjDihedral),p=fixed(p),\n", | |
" confId=(0,h_ureaAdjDihedral.GetNumConformers()-1))" | |
] | |
}, | |
{ | |
"cell_type": "code", | |
"execution_count": 15, | |
"metadata": { | |
"collapsed": false | |
}, | |
"outputs": [ | |
{ | |
"data": { | |
"text/html": [ | |
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"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7281 0.5712 0.0740 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3656 -0.6343 0.5553 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1916 -1.3462 1.1186 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0974 -1.0625 0.3474 N 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0725 -0.4009 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.2213 0.9871 -0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4276 1.5593 -0.5318 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.4992 0.7490 -0.8985 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.3706 -0.6353 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1662 -1.2059 -0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7235 0.7354 0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3532 0.7948 -0.8375 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0011 -2.0433 0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5648 1.6571 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5330 2.6412 -0.5551 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.4363 1.1961 -1.2198 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2073 -1.2727 -1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0912 -2.2900 -0.3757 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3521 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0640 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3521 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3521 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3521 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0364 -0.8958 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3229 -2.0730 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9216 -3.2481 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1460 -4.3816 1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2329 -4.3498 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8388 -3.1841 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0639 -2.0515 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7308 0.7252 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3686 0.8189 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4948 -0.0955 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9935 -3.3153 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.6251 -5.2891 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8321 -5.2324 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9143 -3.1553 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5610 -1.1544 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7281 0.5712 0.0740 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3656 -0.6343 0.5553 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1916 -1.3462 1.1186 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0974 -1.0625 0.3474 N 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0725 -0.4009 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.2213 0.9871 -0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4276 1.5593 -0.5318 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.4992 0.7490 -0.8985 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.3706 -0.6353 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1662 -1.2059 -0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7235 0.7354 0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3532 0.7948 -0.8375 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0011 -2.0433 0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5648 1.6571 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5330 2.6412 -0.5551 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.4363 1.1961 -1.2198 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2073 -1.2727 -1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0912 -2.2900 -0.3757 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4733 0.5100 -0.1589 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5573 -0.6167 -0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1426 -1.7117 0.1336 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1777 -0.4223 -0.1347 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1938 -1.4232 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3998 -2.7342 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6679 -3.6496 0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9420 -3.2907 0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.1760 -1.9903 -0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1362 -1.1003 -0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.2024 1.3704 0.3477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.3354 0.4646 -0.7046 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8734 0.5916 -0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3915 -3.0762 0.5777 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.4655 -4.6666 0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.7296 -4.0242 0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.1888 -1.7002 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3133 -0.0631 -0.6241 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4850 0.4983 -0.1568 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5309 -0.6186 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1572 -1.6981 0.1324 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2019 -0.4335 -0.1306 N 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.1427 -0.2462 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5561 1.0927 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8666 1.4250 -0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8234 0.5030 -0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.4772 -0.7925 -0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1323 -1.1343 -0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.0077 0.7694 0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.5423 0.9199 -1.0955 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0067 -1.7267 0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2030 1.8406 0.3402 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.1633 2.4690 0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.8724 0.8193 -0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2130 -1.5215 -0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.8877 -2.1657 -0.7961 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4733 0.5100 -0.1589 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5573 -0.6167 -0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1426 -1.7117 0.1336 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1777 -0.4223 -0.1347 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1938 -1.4232 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3998 -2.7342 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6679 -3.6496 0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9420 -3.2907 0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.1760 -1.9903 -0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1362 -1.1003 -0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.2024 1.3704 0.3477 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.3354 0.4646 -0.7046 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8734 0.5916 -0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3915 -3.0762 0.5777 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.4655 -4.6666 0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.7296 -4.0242 0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.1888 -1.7002 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3133 -0.0631 -0.6241 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4685 0.5209 -0.1607 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5703 -0.6168 -0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1343 -1.7226 0.1347 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1835 -0.4393 -0.1321 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2031 -1.4434 -0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4638 -2.6949 0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5697 -3.6504 0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8495 -3.3806 0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0967 -2.1122 -0.3836 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0999 -1.1738 -0.4412 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.4027 0.5189 0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1446 1.3398 -0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8579 0.5850 -0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.4223 -3.0234 0.7962 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.3649 -4.6569 0.8699 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.6558 -4.0962 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.1139 -1.8744 -0.7123 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3117 -0.1745 -0.8175 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4685 0.5103 -0.1592 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5673 -0.6170 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1373 -1.7117 0.1334 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2035 -0.3862 -0.1385 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1330 -1.3089 -0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2996 -2.6571 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.7989 -3.5328 0.2061 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0887 -3.0783 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2676 -1.7297 -0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1957 -0.8701 -0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6091 0.9971 -1.0728 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.9779 0.8302 0.6905 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9264 0.6418 -0.2936 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2865 -3.0913 0.2405 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6362 -4.5913 0.3604 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9177 -3.7674 0.1415 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2854 -1.3776 -0.2068 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3297 0.2050 -0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4563 0.5081 -0.1595 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5895 -0.6139 -0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1273 -1.7126 0.1331 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2073 -0.4626 -0.1278 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1873 -1.4275 -0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3841 -2.7759 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6773 -3.6922 0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9592 -3.2661 0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2002 -1.9255 -0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1528 -1.0341 -0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.1182 0.8162 0.5655 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.3886 1.0400 -1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8611 0.5403 -0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3648 -3.1805 0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.4595 -4.7473 0.3912 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.7885 -3.9743 0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2243 -1.5658 -0.1793 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3550 0.0246 -0.3141 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4666 0.5301 -0.1620 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5806 -0.6230 -0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1260 -1.7256 0.1348 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2192 -0.3561 -0.1420 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2085 -1.3335 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3892 -2.5873 0.4871 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6319 -3.5495 0.5504 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8730 -3.2071 0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.1057 -1.9604 -0.4947 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0889 -1.0517 -0.5394 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7935 0.9271 0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6743 0.8289 -1.1186 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8643 0.6382 -0.2961 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3429 -2.8985 0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.4053 -4.5101 0.9845 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.6410 -3.9486 0.1048 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.0798 -1.7165 -0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2149 -0.0649 -0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4659 0.5066 -0.1588 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5709 -0.6164 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1363 -1.7086 0.1329 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1954 -0.4232 -0.1338 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2242 -1.4328 -0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1203 -1.0531 0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.1513 -1.9546 0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9116 -3.3079 0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6132 -3.7091 -0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4342 -2.7760 -0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.3360 0.4207 -0.6956 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.2121 1.3873 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8852 0.6035 -0.2889 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2983 0.0068 0.1859 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.1797 -1.6470 0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.7400 -4.0184 0.1975 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.3812 -4.7607 -0.1012 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.4422 -3.1450 -0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4599 0.5077 -0.1592 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5823 -0.6143 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1309 -1.7119 0.1331 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1964 -0.4108 -0.1354 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1627 -1.3676 -0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3426 -2.7136 0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.7340 -3.6102 0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0115 -3.1263 0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2412 -1.7783 -0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1609 -0.9340 -0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1387 1.3954 0.2819 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.3642 0.4950 -0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8701 0.6113 -0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3291 -3.1444 0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5054 -4.6549 0.3743 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8430 -3.8128 0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2463 -1.3914 -0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4055 0.1297 -0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4583 0.5168 -0.1606 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5901 -0.6173 -0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1247 -1.7180 0.1337 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2070 -0.4452 -0.1302 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1793 -1.3975 -0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3661 -2.7294 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.7081 -3.6327 0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9860 -3.1466 0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2177 -1.8031 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1486 -0.9681 -0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.2554 0.4735 -0.8319 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.3149 1.3889 0.4094 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9198 0.5964 -0.2876 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3539 -3.1534 0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5182 -4.6850 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8387 -3.8381 0.1551 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2441 -1.4566 -0.1919 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3225 0.0712 -0.3159 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4612 0.5143 -0.1601 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5852 -0.6202 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1267 -1.7125 0.1330 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2099 -0.3958 -0.1369 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1552 -1.3253 -0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3585 -2.6560 0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6979 -3.5824 0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9879 -3.1412 0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2420 -1.7897 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1817 -0.9227 -0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.0415 0.5577 -1.0158 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.4420 1.1959 0.6186 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8509 0.6220 -0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3240 -3.1185 0.2465 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5246 -4.6384 0.3725 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8359 -3.8253 0.1531 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2524 -1.4462 -0.1965 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4094 0.1187 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4738 0.4986 -0.1573 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5515 -0.6147 -0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1478 -1.7024 0.1326 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1753 -0.3974 -0.1383 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1266 -1.3111 -0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2704 -2.6611 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.7839 -3.5565 0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0629 -3.0877 0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2666 -1.7417 -0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2008 -0.8707 -0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.4002 1.2189 0.5661 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.1587 0.5480 -0.9269 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8979 0.6315 -0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2367 -3.0928 0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5886 -4.6225 0.3664 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9130 -3.7553 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2930 -1.4130 -0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3941 0.1743 -0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4582 0.5375 -0.1634 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5997 -0.6226 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1152 -1.7333 0.1354 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2224 -0.4274 -0.1320 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1969 -1.3936 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3575 -2.7246 0.2553 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.7037 -3.6352 0.3203 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9768 -3.1897 0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.1840 -1.8648 -0.2267 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1244 -0.9953 -0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.3263 1.3228 0.5022 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.1843 0.5703 -0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8912 0.5720 -0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3393 -3.1246 0.4603 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5491 -4.6758 0.5568 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8161 -3.8712 0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.1984 -1.5197 -0.4194 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3315 0.0388 -0.5251 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4625 0.5256 -0.1616 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5828 -0.6150 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1278 -1.7291 0.1354 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2018 -0.4882 -0.1245 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2427 -1.5113 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4692 -2.7911 0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5645 -3.7121 0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8412 -3.3920 0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0792 -2.1181 -0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0712 -1.1978 -0.4349 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.3072 0.5486 0.4114 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.2491 1.2974 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8464 0.5122 -0.2787 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.4393 -3.1001 0.7708 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.3090 -4.7092 0.8345 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.5976 -4.1624 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.0933 -1.8984 -0.7061 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3045 -0.1937 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4591 0.5090 -0.1595 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5844 -0.6144 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1296 -1.7130 0.1332 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2077 -0.4448 -0.1302 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1660 -1.3895 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3278 -2.7385 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.7613 -3.6234 0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0544 -3.1779 0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2282 -1.8278 -0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1659 -0.9573 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.8641 0.9713 0.7061 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7402 0.9251 -1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8902 0.5682 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3318 -3.1237 0.2454 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5572 -4.6556 0.3714 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9123 -3.8316 0.1509 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2410 -1.4463 -0.1935 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3311 0.1146 -0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4550 0.5091 -0.1597 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5922 -0.6132 -0.0436 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1260 -1.7144 0.1332 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2046 -0.4473 -0.1300 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1937 -1.4353 -0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1297 -1.0015 -0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.1755 -1.8886 -0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9474 -3.2391 0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6618 -3.7025 0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3709 -2.7745 0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.3263 1.3578 0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.2308 0.4654 -0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8931 0.5787 -0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3399 0.0398 -0.3138 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.1932 -1.5295 -0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.7803 -3.9184 0.1687 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.4682 -4.7558 0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.3527 -3.1623 0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4711 0.4972 -0.1573 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5571 -0.6155 -0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1450 -1.7001 0.1321 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1898 -0.3598 -0.1428 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1113 -1.2668 -0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2498 -2.6142 0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.8121 -3.5050 0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0847 -3.0406 0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2904 -1.7033 -0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2206 -0.8353 -0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.9702 0.7614 0.7117 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6476 1.0225 -1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8773 0.6607 -0.2984 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2297 -3.0446 0.2308 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6342 -4.5607 0.3556 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9585 -3.6882 0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2881 -1.2686 -0.2215 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3723 0.2279 -0.3412 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4688 0.5262 -0.1614 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5706 -0.6155 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1338 -1.7292 0.1356 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2081 -0.3638 -0.1414 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1268 -1.2650 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3084 -2.6041 0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.8005 -3.4617 0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0905 -3.0061 0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2801 -1.6577 -0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1881 -0.8265 -0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.2172 1.3336 -0.7768 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.3636 0.5279 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.9479 0.6770 -0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2552 -3.0732 0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6482 -4.5350 0.3514 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9141 -3.7147 0.1344 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2960 -1.3045 -0.2168 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3402 0.2323 -0.3403 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4635 0.5158 -0.1602 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5820 -0.6221 -0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1276 -1.7122 0.1330 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2106 -0.4306 -0.1320 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2645 -1.4827 -0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0546 -1.2342 -0.4567 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0653 -2.1541 -0.3884 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8038 -3.3993 0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5323 -3.6942 0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4764 -2.7288 0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.3578 0.4767 -0.6809 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1392 1.3768 0.3137 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8640 0.5679 -0.2881 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2356 -0.2305 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.0657 -1.9477 -0.7239 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.5655 -4.1708 0.2088 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.3080 -4.6723 0.9795 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.4297 -3.0106 0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4711 0.4972 -0.1573 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5571 -0.6155 -0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1450 -1.7001 0.1321 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1898 -0.3598 -0.1428 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1113 -1.2668 -0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2498 -2.6142 0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.8121 -3.5050 0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0847 -3.0406 0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2904 -1.7033 -0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2206 -0.8353 -0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.9702 0.7614 0.7117 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6476 1.0225 -1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8773 0.6607 -0.2984 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2297 -3.0446 0.2308 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6342 -4.5607 0.3556 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9585 -3.6882 0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2881 -1.2686 -0.2215 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3723 0.2279 -0.3412 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4644 0.5191 -0.1606 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5806 -0.6212 -0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1281 -1.7164 0.1336 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1946 -0.4286 -0.1330 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2052 -1.4304 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.4285 -2.7824 -0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6250 -3.7071 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9213 -3.2736 0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.1283 -1.9257 0.2329 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1224 -0.9944 0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.4283 1.3096 0.5058 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.1486 0.5422 -0.9309 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8714 0.5876 -0.2911 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.4148 -3.1772 -0.2279 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.4198 -4.7694 -0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.7094 -4.0160 0.2723 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.1402 -1.5424 0.3619 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3058 0.0704 0.1638 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4738 0.4986 -0.1573 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5515 -0.6147 -0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1478 -1.7024 0.1326 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.1753 -0.3974 -0.1383 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.1266 -1.3111 -0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2704 -2.6611 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.7839 -3.5565 0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.0629 -3.0877 0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.2666 -1.7417 -0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.2008 -0.8707 -0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.4002 1.2189 0.5661 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.1587 0.5480 -0.9269 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8979 0.6315 -0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2367 -3.0928 0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5886 -4.6225 0.3664 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.9130 -3.7553 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2930 -1.4130 -0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3941 0.1743 -0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4850 0.4983 -0.1568 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5309 -0.6186 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1572 -1.6981 0.1324 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2019 -0.4335 -0.1306 N 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.1427 -0.2462 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.5561 1.0927 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8666 1.4250 -0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8234 0.5030 -0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.4772 -0.7925 -0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1323 -1.1343 -0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.0077 0.7694 0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.5423 0.9199 -1.0955 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0067 -1.7267 0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2030 1.8406 0.3402 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.1633 2.4690 0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.8724 0.8193 -0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2130 -1.5215 -0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.8877 -2.1657 -0.7961 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 3.4898 0.4976 -0.1408 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.5384 -0.6026 -0.0655 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.9646 -0.8337 -1.1567 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3369 -1.2863 1.1350 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.4534 -2.3627 1.3351 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7563 -3.0350 0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.1115 -4.0937 0.6856 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.3034 -4.5021 1.9655 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3789 -3.8500 2.9580 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.2230 -2.8197 2.6393 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.5846 0.9555 -1.0637 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.0369 0.8075 0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.9247 -0.9373 1.9579 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.8741 -2.7591 -0.6781 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.6390 -4.5943 -0.1066 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.9775 -5.3174 2.1706 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2293 -4.1720 3.9784 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7700 -2.2946 3.4231 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7313 0.5786 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3625 -0.6432 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1915 -1.3448 1.1179 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0404 -0.9029 0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.2950 -2.0231 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.7838 -3.0016 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0214 -4.0822 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.3217 -4.1910 1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.8200 -3.2179 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0155 -2.1382 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.0808 1.3338 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.6839 0.8091 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5978 -0.2797 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.7897 -2.9508 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.3731 -4.8383 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.9438 -5.0327 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.8341 -3.2987 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4279 -1.3924 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"\tviewer.removeAllModels();\n", | |
"\tviewer.addModel(\"\\n RDKit 3D\\n\\n 18 18 0 0 0 0 0 0 0 0999 V2000\\n 2.7281 0.5712 0.0740 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3656 -0.6343 0.5553 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.1916 -1.3462 1.1186 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0974 -1.0625 0.3474 N 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.0725 -0.4009 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -0.2213 0.9871 -0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.4276 1.5593 -0.5318 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.4992 0.7490 -0.8985 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -2.3706 -0.6353 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.1662 -1.2059 -0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 3.7235 0.7354 0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 2.3532 0.7948 -0.8375 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1.0011 -2.0433 0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 0.5648 1.6571 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.5330 2.6412 -0.5551 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.4363 1.1961 -1.2198 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -3.2073 -1.2727 -1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0\\n -1.0912 -2.2900 -0.3757 H 0 0 0 0 0 0 0 0 0 0 0 0\\n 1 2 1 0\\n 2 3 2 0\\n 2 4 1 0\\n 4 5 1 0\\n 5 6 2 0\\n 6 7 1 0\\n 7 8 2 0\\n 8 9 1 0\\n 9 10 2 0\\n 10 5 1 0\\n 1 11 1 0\\n 1 12 1 0\\n 4 13 1 0\\n 6 14 1 0\\n 7 15 1 0\\n 8 16 1 0\\n 9 17 1 0\\n 10 18 1 0\\nM END\\n\",\"sdf\");\n", | |
"\tviewer.setStyle({\"stick\": {}});\n", | |
"\tviewer.setBackgroundColor(\"0xeeeeee\");\n", | |
"\tviewer.zoomTo();\n", | |
"viewer.render();\n", | |
"});\n", | |
"</script>" | |
], | |
"text/plain": [ | |
"<IPython.core.display.HTML object>" | |
] | |
}, | |
"metadata": {}, | |
"output_type": "display_data" | |
} | |
], | |
"source": [ | |
"interact(drawit, m=fixed(h_ureaMin),p=fixed(p),\n", | |
" confId=(0,h_ureaMin.GetNumConformers()-1))" | |
] | |
} | |
], | |
"metadata": { | |
"kernelspec": { | |
"display_name": "Python 2", | |
"language": "python", | |
"name": "python2" | |
}, | |
"language_info": { | |
"codemirror_mode": { | |
"name": "ipython", | |
"version": 2 | |
}, | |
"file_extension": ".py", | |
"mimetype": "text/x-python", | |
"name": "python", | |
"nbconvert_exporter": "python", | |
"pygments_lexer": "ipython2", | |
"version": "2.7.5" | |
}, | |
"widgets": { | |
"state": { | |
"4a0815fe6e9f4299aa077254e90cbcd2": { | |
"views": [ | |
{ | |
"cell_index": 13 | |
} | |
] | |
}, | |
"821421483a544fe1a605492ad1d75b42": { | |
"views": [ | |
{ | |
"cell_index": 12 | |
} | |
] | |
}, | |
"83ebfad8fb4247b1b9d98776df6e090a": { | |
"views": [ | |
{ | |
"cell_index": 14 | |
} | |
] | |
} | |
}, | |
"version": "1.2.0" | |
} | |
}, | |
"nbformat": 4, | |
"nbformat_minor": 0 | |
} |
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