Skip to content

Instantly share code, notes, and snippets.

@ptosco

ptosco/UnspecifedUnknownStereo.ipynb

Last active February 8, 2023 06:36
Show Gist options
  • Save ptosco/1e1c23ad24c90444993fa1db21ccb48b to your computer and use it in GitHub Desktop.
Save ptosco/1e1c23ad24c90444993fa1db21ccb48b to your computer and use it in GitHub Desktop.
Download ZIP
UnspecifedUnknownStereo
Display the source blob
Display the rendered blob
Raw
UnspecifedUnknownStereo.ipynb
{
"cells": [
{
"cell_type": "code",
"execution_count": 1,
"metadata": {},
"outputs": [],
"source": [
"from rdkit import Chem\n",
"from rdkit.Chem.Draw import rdMolDraw2D\n",
"from IPython.display import SVG"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"Stereo annotations can be added setting `MolDrawOptions.addStereoAnnotation` to `True`:"
]
},
{
"cell_type": "code",
"execution_count": 2,
"metadata": {},
"outputs": [],
"source": [
"def draw(mol, **kwargs):\n",
" mol_draw = rdMolDraw2D.PrepareMolForDrawing(mol)\n",
" draw_opt = rdMolDraw2D.MolDrawOptions()\n",
" draw_opt.addStereoAnnotation = True\n",
" draw_opt.addAtomIndices = True\n",
" drawer = rdMolDraw2D.MolDraw2DSVG(400, 300)\n",
" drawer.SetDrawOptions(draw_opt)\n",
" drawer.DrawMolecule(mol_draw, **kwargs)\n",
" drawer.FinishDrawing()\n",
" return SVG(drawer.GetDrawingText())"
]
},
{
"cell_type": "code",
"execution_count": 3,
"metadata": {},
"outputs": [],
"source": [
"mol = Chem.MolFromSmiles(\"CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C(=CC(C(=O)O)Br)CC(=O)O\")"
]
},
{
"cell_type": "code",
"execution_count": 4,
"metadata": {},
"outputs": [],
"source": [
"q = Chem.MolFromSmarts(\"C=CCBr\")"
]
},
{
"cell_type": "code",
"execution_count": 5,
"metadata": {},
"outputs": [],
"source": [
"b = mol.GetBondBetweenAtoms(*mol.GetSubstructMatch(q)[:2])"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"The RDKit has indeed labelled the double bond as stereochemically unspecified:"
]
},
{
"cell_type": "code",
"execution_count": 6,
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"rdkit.Chem.rdchem.BondType.DOUBLE"
]
},
"execution_count": 6,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"b.GetBondType()"
]
},
{
"cell_type": "code",
"execution_count": 7,
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"rdkit.Chem.rdchem.BondStereo.STEREONONE"
]
},
"execution_count": 7,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"b.GetStereo()"
]
},
{
"cell_type": "code",
"execution_count": 8,
"metadata": {},
"outputs": [
{
"data": {
"image/svg+xml": [
"<svg baseProfile=\"full\" height=\"300px\" version=\"1.1\" viewBox=\"0 0 400 300\" width=\"400px\" xml:space=\"preserve\" xmlns=\"http://www.w3.org/2000/svg\" xmlns:rdkit=\"http://www.rdkit.org/xml\" xmlns:xlink=\"http://www.w3.org/1999/xlink\">\n",
"<!-- END OF HEADER -->\n",
"<rect height=\"300\" style=\"opacity:1.0;fill:#FFFFFF;stroke:none\" width=\"400\" x=\"0\" y=\"0\"> </rect>\n",
"<path class=\"bond-0\" d=\"M 198.704,98.3801 L 206.25,138.351\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-1\" d=\"M 206.25,138.351 L 213.795,178.322\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-2\" d=\"M 206.25,138.351 L 246.22,130.806\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-11\" d=\"M 206.25,138.351 L 166.279,145.896\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-3\" d=\"M 246.22,130.806 L 259.672,92.4174\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-3\" d=\"M 255.916,127.738 L 265.332,100.866\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-22\" d=\"M 246.22,130.806 L 272.74,161.649\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-4\" d=\"M 259.672,92.4174 L 299.643,84.8722\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-5\" d=\"M 299.643,84.8722 L 326.162,115.715\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-5\" d=\"M 297.452,94.8026 L 316.016,116.393\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-10\" d=\"M 299.643,84.8722 L 305.181,69.0664\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-10\" d=\"M 305.181,69.0664 L 310.719,53.2605\" style=\"fill:none;fill-rule:evenodd;stroke:#7F4C19;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-6\" d=\"M 326.162,115.715 L 312.711,154.104\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-9\" d=\"M 326.162,115.715 L 342.995,112.538\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-9\" d=\"M 342.995,112.538 L 359.828,109.36\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-7\" d=\"M 312.711,154.104 L 272.74,161.649\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-7\" d=\"M 305.207,147.241 L 277.227,152.523\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-8\" d=\"M 312.711,154.104 L 323.506,166.659\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-8\" d=\"M 323.506,166.659 L 334.301,179.213\" style=\"fill:none;fill-rule:evenodd;stroke:#7F4C19;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-12\" d=\"M 166.279,145.896 L 139.759,115.053\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-12\" d=\"M 168.469,135.966 L 149.906,114.375\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-18\" d=\"M 166.279,145.896 L 152.828,184.285\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-13\" d=\"M 139.759,115.053 L 99.788,122.598\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-14\" d=\"M 99.788,122.598 L 73.2682,91.7549\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-17\" d=\"M 99.788,122.598 L 94.2497,138.404\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-17\" d=\"M 94.2497,138.404 L 88.7114,154.21\" style=\"fill:none;fill-rule:evenodd;stroke:#7F4C19;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-15\" d=\"M 77.1071,93.1001 L 82.6026,77.4163\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-15\" d=\"M 82.6026,77.4163 L 88.0981,61.7325\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-15\" d=\"M 69.4294,90.4098 L 74.9249,74.726\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-15\" d=\"M 74.9249,74.726 L 80.4204,59.0422\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-16\" d=\"M 73.2682,91.7549 L 56.4352,94.9325\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-16\" d=\"M 56.4352,94.9325 L 39.6022,98.11\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-19\" d=\"M 152.828,184.285 L 179.347,215.128\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-20\" d=\"M 180.102,219.125 L 196.935,215.947\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-20\" d=\"M 196.935,215.947 L 213.768,212.77\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-20\" d=\"M 178.593,211.131 L 195.426,207.953\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-20\" d=\"M 195.426,207.953 L 212.259,204.776\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-21\" d=\"M 179.347,215.128 L 173.82,230.901\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-21\" d=\"M 173.82,230.901 L 168.294,246.674\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"atom-9\" d=\"M 340.915 184.654 Q 342.021 184.963, 342.575 185.647 Q 343.144 186.314, 343.144 187.306 Q 343.144 188.901, 342.119 189.812 Q 341.11 190.707, 339.19 190.707 L 335.318 190.707 L 335.318 179.187 L 338.718 179.187 Q 340.687 179.187, 341.68 179.984 Q 342.672 180.782, 342.672 182.246 Q 342.672 183.987, 340.915 184.654 M 336.864 180.489 L 336.864 184.101 L 338.718 184.101 Q 339.857 184.101, 340.443 183.645 Q 341.045 183.174, 341.045 182.246 Q 341.045 180.489, 338.718 180.489 L 336.864 180.489 M 339.19 189.405 Q 340.313 189.405, 340.915 188.868 Q 341.517 188.331, 341.517 187.306 Q 341.517 186.363, 340.85 185.891 Q 340.199 185.403, 338.946 185.403 L 336.864 185.403 L 336.864 189.405 L 339.19 189.405 \" fill=\"#7F4C19\"/>\n",
"<path class=\"atom-9\" d=\"M 345.764 182.344 L 345.943 183.499 Q 346.821 182.197, 348.253 182.197 Q 348.709 182.197, 349.327 182.36 L 349.083 183.727 Q 348.383 183.564, 347.993 183.564 Q 347.309 183.564, 346.854 183.841 Q 346.414 184.101, 346.057 184.736 L 346.057 190.707 L 344.527 190.707 L 344.527 182.344 L 345.764 182.344 \" fill=\"#7F4C19\"/>\n",
"<path class=\"atom-10\" d=\"M 360.845 108.203 Q 360.845 105.437, 362.212 103.891 Q 363.579 102.345, 366.133 102.345 Q 368.688 102.345, 370.054 103.891 Q 371.421 105.437, 371.421 108.203 Q 371.421 111.001, 370.038 112.596 Q 368.655 114.174, 366.133 114.174 Q 363.595 114.174, 362.212 112.596 Q 360.845 111.018, 360.845 108.203 M 366.133 112.872 Q 367.89 112.872, 368.834 111.701 Q 369.794 110.513, 369.794 108.203 Q 369.794 105.941, 368.834 104.802 Q 367.89 103.647, 366.133 103.647 Q 364.376 103.647, 363.416 104.786 Q 362.472 105.925, 362.472 108.203 Q 362.472 110.529, 363.416 111.701 Q 364.376 112.872, 366.133 112.872 \" fill=\"#FF0000\"/>\n",
"<path class=\"atom-10\" d=\"M 372.804 102.475 L 374.366 102.475 L 374.366 107.373 L 380.256 107.373 L 380.256 102.475 L 381.818 102.475 L 381.818 113.995 L 380.256 113.995 L 380.256 108.675 L 374.366 108.675 L 374.366 113.995 L 372.804 113.995 L 372.804 102.475 \" fill=\"#FF0000\"/>\n",
"<path class=\"atom-11\" d=\"M 314.778 46.1909 Q 315.884 46.5, 316.437 47.1834 Q 317.007 47.8505, 317.007 48.843 Q 317.007 50.4376, 315.982 51.3487 Q 314.973 52.2436, 313.053 52.2436 L 309.181 52.2436 L 309.181 40.7239 L 312.581 40.7239 Q 314.55 40.7239, 315.542 41.5212 Q 316.535 42.3185, 316.535 43.7828 Q 316.535 45.5238, 314.778 46.1909 M 310.726 42.0256 L 310.726 45.6377 L 312.581 45.6377 Q 313.72 45.6377, 314.306 45.1821 Q 314.908 44.7103, 314.908 43.7828 Q 314.908 42.0256, 312.581 42.0256 L 310.726 42.0256 M 313.053 50.9419 Q 314.176 50.9419, 314.778 50.405 Q 315.38 49.8681, 315.38 48.843 Q 315.38 47.8993, 314.713 47.4275 Q 314.062 46.9393, 312.809 46.9393 L 310.726 46.9393 L 310.726 50.9419 L 313.053 50.9419 \" fill=\"#7F4C19\"/>\n",
"<path class=\"atom-11\" d=\"M 319.626 43.8804 L 319.805 45.0357 Q 320.684 43.734, 322.116 43.734 Q 322.571 43.734, 323.19 43.8967 L 322.946 45.2635 Q 322.246 45.1008, 321.855 45.1008 Q 321.172 45.1008, 320.716 45.3774 Q 320.277 45.6377, 319.919 46.2722 L 319.919 52.2436 L 318.39 52.2436 L 318.39 43.8804 L 319.626 43.8804 \" fill=\"#7F4C19\"/>\n",
"<path class=\"atom-16\" d=\"M 81.4314 53.3991 Q 81.4314 50.6331, 82.7981 49.0873 Q 84.1648 47.5416, 86.7193 47.5416 Q 89.2738 47.5416, 90.6406 49.0873 Q 92.0073 50.6331, 92.0073 53.3991 Q 92.0073 56.1976, 90.6243 57.7922 Q 89.2413 59.3704, 86.7193 59.3704 Q 84.1811 59.3704, 82.7981 57.7922 Q 81.4314 56.2139, 81.4314 53.3991 M 86.7193 58.0688 Q 88.4766 58.0688, 89.4203 56.8973 Q 90.3803 55.7095, 90.3803 53.3991 Q 90.3803 51.1374, 89.4203 49.9985 Q 88.4766 48.8433, 86.7193 48.8433 Q 84.9621 48.8433, 84.0021 49.9822 Q 83.0584 51.1212, 83.0584 53.3991 Q 83.0584 55.7258, 84.0021 56.8973 Q 84.9621 58.0688, 86.7193 58.0688 \" fill=\"#FF0000\"/>\n",
"<path class=\"atom-17\" d=\"M 18.1818 93.6054 L 19.7438 93.6054 L 19.7438 98.5029 L 25.6338 98.5029 L 25.6338 93.6054 L 27.1958 93.6054 L 27.1958 105.125 L 25.6338 105.125 L 25.6338 99.8045 L 19.7438 99.8045 L 19.7438 105.125 L 18.1818 105.125 L 18.1818 93.6054 \" fill=\"#FF0000\"/>\n",
"<path class=\"atom-17\" d=\"M 28.0093 99.3327 Q 28.0093 96.5667, 29.3761 95.0209 Q 30.7428 93.4752, 33.2973 93.4752 Q 35.8518 93.4752, 37.2186 95.0209 Q 38.5853 96.5667, 38.5853 99.3327 Q 38.5853 102.131, 37.2023 103.726 Q 35.8193 105.304, 33.2973 105.304 Q 30.7591 105.304, 29.3761 103.726 Q 28.0093 102.148, 28.0093 99.3327 M 33.2973 104.002 Q 35.0546 104.002, 35.9983 102.831 Q 36.9582 101.643, 36.9582 99.3327 Q 36.9582 97.0711, 35.9983 95.9321 Q 35.0546 94.7769, 33.2973 94.7769 Q 31.5401 94.7769, 30.5801 95.9158 Q 29.6364 97.0548, 29.6364 99.3327 Q 29.6364 101.659, 30.5801 102.831 Q 31.5401 104.002, 33.2973 104.002 \" fill=\"#FF0000\"/>\n",
"<path class=\"atom-18\" d=\"M 88.0209 160.694 Q 89.1273 161.003, 89.6805 161.686 Q 90.25 162.353, 90.25 163.346 Q 90.25 164.94, 89.2249 165.852 Q 88.2162 166.746, 86.2962 166.746 L 82.4238 166.746 L 82.4238 155.227 L 85.8244 155.227 Q 87.7931 155.227, 88.7856 156.024 Q 89.7781 156.821, 89.7781 158.286 Q 89.7781 160.027, 88.0209 160.694 M 83.9695 156.528 L 83.9695 160.141 L 85.8244 160.141 Q 86.9633 160.141, 87.5491 159.685 Q 88.1511 159.213, 88.1511 158.286 Q 88.1511 156.528, 85.8244 156.528 L 83.9695 156.528 M 86.2962 165.445 Q 87.4189 165.445, 88.0209 164.908 Q 88.6229 164.371, 88.6229 163.346 Q 88.6229 162.402, 87.9558 161.93 Q 87.305 161.442, 86.0522 161.442 L 83.9695 161.442 L 83.9695 165.445 L 86.2962 165.445 \" fill=\"#7F4C19\"/>\n",
"<path class=\"atom-18\" d=\"M 92.8696 158.383 L 93.0486 159.538 Q 93.9272 158.237, 95.359 158.237 Q 95.8146 158.237, 96.4329 158.4 L 96.1888 159.766 Q 95.4892 159.604, 95.0987 159.604 Q 94.4153 159.604, 93.9597 159.88 Q 93.5204 160.141, 93.1625 160.775 L 93.1625 166.746 L 91.633 166.746 L 91.633 158.383 L 92.8696 158.383 \" fill=\"#7F4C19\"/>\n",
"<path class=\"atom-21\" d=\"M 214.03 207.615 Q 214.03 204.849, 215.397 203.303 Q 216.764 201.758, 219.318 201.758 Q 221.873 201.758, 223.24 203.303 Q 224.606 204.849, 224.606 207.615 Q 224.606 210.414, 223.223 212.008 Q 221.84 213.587, 219.318 213.587 Q 216.78 213.587, 215.397 212.008 Q 214.03 210.43, 214.03 207.615 M 219.318 212.285 Q 221.075 212.285, 222.019 211.113 Q 222.979 209.926, 222.979 207.615 Q 222.979 205.354, 222.019 204.215 Q 221.075 203.059, 219.318 203.059 Q 217.561 203.059, 216.601 204.198 Q 215.657 205.337, 215.657 207.615 Q 215.657 209.942, 216.601 211.113 Q 217.561 212.285, 219.318 212.285 \" fill=\"#FF0000\"/>\n",
"<path class=\"atom-22\" d=\"M 160.608 253.549 Q 160.608 250.783, 161.975 249.237 Q 163.342 247.691, 165.896 247.691 Q 168.451 247.691, 169.817 249.237 Q 171.184 250.783, 171.184 253.549 Q 171.184 256.347, 169.801 257.942 Q 168.418 259.52, 165.896 259.52 Q 163.358 259.52, 161.975 257.942 Q 160.608 256.364, 160.608 253.549 M 165.896 258.218 Q 167.653 258.218, 168.597 257.047 Q 169.557 255.859, 169.557 253.549 Q 169.557 251.287, 168.597 250.148 Q 167.653 248.993, 165.896 248.993 Q 164.139 248.993, 163.179 250.132 Q 162.235 251.271, 162.235 253.549 Q 162.235 255.875, 163.179 257.047 Q 164.139 258.218, 165.896 258.218 \" fill=\"#FF0000\"/>\n",
"<path class=\"atom-22\" d=\"M 172.567 247.821 L 174.129 247.821 L 174.129 252.719 L 180.019 252.719 L 180.019 247.821 L 181.581 247.821 L 181.581 259.341 L 180.019 259.341 L 180.019 254.021 L 174.129 254.021 L 174.129 259.341 L 172.567 259.341 L 172.567 247.821 \" fill=\"#FF0000\"/>\n",
"<path class=\"note\" d=\"M 192.043 102.615 Q 190.985 102.615, 190.456 101.834 Q 189.936 101.053, 189.936 99.662 Q 189.936 98.2709, 190.456 97.498 Q 190.977 96.7252, 192.043 96.7252 Q 193.108 96.7252, 193.629 97.498 Q 194.15 98.2709, 194.15 99.662 Q 194.15 101.053, 193.621 101.834 Q 193.1 102.615, 192.043 102.615 M 192.043 101.964 Q 192.669 101.964, 193.003 101.387 Q 193.336 100.801, 193.336 99.662 Q 193.336 98.5312, 193.003 97.9536 Q 192.669 97.376, 192.043 97.376 Q 191.424 97.376, 191.083 97.9536 Q 190.749 98.5312, 190.749 99.662 Q 190.749 100.801, 191.083 101.387 Q 191.424 101.964, 192.043 101.964 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 208.651 134.997 L 209.912 134.997 L 209.912 130.693 L 208.521 131.124 L 208.334 130.644 L 210.099 129.855 L 210.677 129.953 L 210.677 134.997 L 211.808 134.997 L 211.808 135.647 L 208.651 135.647 L 208.651 134.997 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 218.533 175.307 Q 218.744 174.762, 219.249 174.461 Q 219.753 174.152, 220.453 174.152 Q 221.323 174.152, 221.811 174.624 Q 222.299 175.096, 222.299 175.934 Q 222.299 176.788, 221.665 177.585 Q 221.038 178.382, 219.737 179.326 L 222.397 179.326 L 222.397 179.977 L 218.516 179.977 L 218.516 179.432 Q 219.59 178.667, 220.225 178.098 Q 220.867 177.528, 221.177 177.016 Q 221.486 176.503, 221.486 175.974 Q 221.486 175.421, 221.209 175.112 Q 220.933 174.803, 220.453 174.803 Q 219.989 174.803, 219.68 174.99 Q 219.371 175.177, 219.151 175.592 L 218.533 175.307 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 242.63 125.543 Q 243.192 125.706, 243.46 126.072 Q 243.737 126.43, 243.737 126.999 Q 243.737 127.488, 243.493 127.87 Q 243.249 128.244, 242.801 128.456 Q 242.354 128.659, 241.768 128.659 Q 241.15 128.659, 240.686 128.448 Q 240.23 128.228, 239.864 127.789 L 240.328 127.317 Q 240.686 127.707, 240.987 127.862 Q 241.288 128.008, 241.768 128.008 Q 242.289 128.008, 242.606 127.732 Q 242.923 127.447, 242.923 126.991 Q 242.923 126.406, 242.59 126.145 Q 242.264 125.877, 241.556 125.877 L 241.142 125.877 L 241.142 125.291 L 241.508 125.291 Q 242.134 125.283, 242.468 125.014 Q 242.801 124.738, 242.801 124.225 Q 242.801 123.851, 242.525 123.631 Q 242.248 123.404, 241.776 123.404 Q 241.296 123.404, 240.995 123.574 Q 240.702 123.745, 240.474 124.176 L 239.913 123.875 Q 240.117 123.395, 240.605 123.078 Q 241.093 122.753, 241.776 122.753 Q 242.622 122.753, 243.118 123.151 Q 243.615 123.55, 243.615 124.225 Q 243.615 124.689, 243.363 125.023 Q 243.11 125.356, 242.63 125.543 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 256.777 88.1799 L 257.469 88.1799 L 257.469 88.8307 L 256.777 88.8307 L 256.777 90.1568 L 256.012 90.1568 L 256.012 88.8307 L 253.035 88.8307 L 253.035 88.3182 L 255.557 84.3969 L 256.777 84.3969 L 256.777 88.1799 M 253.978 88.1799 L 256.012 88.1799 L 256.012 84.9176 L 253.978 88.1799 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 306.447 82.8906 Q 306.951 82.8906, 307.366 83.1103 Q 307.781 83.3218, 308.017 83.7285 Q 308.253 84.1272, 308.253 84.6722 Q 308.253 85.2661, 307.96 85.6973 Q 307.675 86.1203, 307.203 86.34 Q 306.731 86.5596, 306.195 86.5596 Q 305.666 86.5596, 305.178 86.3644 Q 304.689 86.1692, 304.356 85.7949 L 304.844 85.2905 Q 305.113 85.5834, 305.479 85.7461 Q 305.845 85.9007, 306.219 85.9007 Q 306.731 85.9007, 307.081 85.5834 Q 307.439 85.2661, 307.439 84.6885 Q 307.439 84.0784, 307.081 83.7936 Q 306.731 83.5008, 306.17 83.5008 Q 305.666 83.5008, 305.104 83.7204 L 304.657 83.5089 L 304.934 80.7347 L 307.895 80.7347 L 307.813 81.3856 L 305.601 81.3856 L 305.43 83.094 Q 305.942 82.8906, 306.447 82.8906 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 319.757 116.29 Q 320.261 116.29, 320.66 116.509 Q 321.058 116.729, 321.278 117.128 Q 321.498 117.526, 321.498 118.031 Q 321.498 118.592, 321.246 119.031 Q 321.001 119.462, 320.562 119.706 Q 320.123 119.95, 319.561 119.95 Q 318.536 119.95, 318.016 119.259 Q 317.503 118.559, 317.503 117.176 Q 317.503 115.647, 318.138 114.858 Q 318.781 114.06, 320.009 114.06 Q 320.367 114.06, 320.668 114.142 Q 320.977 114.223, 321.27 114.394 L 320.953 114.939 Q 320.53 114.711, 320.017 114.711 Q 319.204 114.711, 318.789 115.24 Q 318.374 115.761, 318.325 116.843 Q 318.618 116.574, 318.984 116.436 Q 319.358 116.29, 319.757 116.29 M 319.57 119.283 Q 319.879 119.283, 320.131 119.121 Q 320.391 118.958, 320.538 118.673 Q 320.684 118.388, 320.684 118.039 Q 320.684 117.526, 320.399 117.233 Q 320.115 116.94, 319.61 116.94 Q 319.26 116.94, 318.911 117.087 Q 318.569 117.225, 318.325 117.469 Q 318.357 118.421, 318.658 118.852 Q 318.959 119.283, 319.57 119.283 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 309.398 146.734 L 306.379 146.734 L 306.379 146.083 L 310.203 146.083 L 310.203 146.661 L 307.876 151.843 L 307.095 151.843 L 309.398 146.734 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 271.401 167.909 Q 271.93 168.137, 272.231 168.478 Q 272.532 168.812, 272.532 169.381 Q 272.532 169.869, 272.28 170.252 Q 272.028 170.626, 271.572 170.838 Q 271.125 171.041, 270.531 171.041 Q 269.571 171.041, 269.018 170.602 Q 268.465 170.154, 268.465 169.381 Q 268.465 168.909, 268.709 168.56 Q 268.953 168.202, 269.457 167.933 Q 269.083 167.722, 268.879 167.413 Q 268.676 167.095, 268.676 166.607 Q 268.676 165.932, 269.164 165.533 Q 269.66 165.135, 270.498 165.135 Q 271.336 165.135, 271.824 165.533 Q 272.321 165.932, 272.321 166.607 Q 272.321 167.03, 272.085 167.347 Q 271.857 167.657, 271.401 167.909 M 270.498 165.745 Q 270.018 165.745, 269.75 165.973 Q 269.49 166.2, 269.49 166.607 Q 269.49 166.908, 269.669 167.112 Q 269.848 167.307, 270.1 167.421 Q 270.36 167.535, 270.856 167.705 Q 271.206 167.461, 271.353 167.201 Q 271.507 166.941, 271.507 166.607 Q 271.507 166.2, 271.239 165.973 Q 270.978 165.745, 270.498 165.745 M 270.531 170.431 Q 271.068 170.431, 271.393 170.146 Q 271.719 169.853, 271.719 169.373 Q 271.719 169.064, 271.548 168.869 Q 271.377 168.674, 271.117 168.56 Q 270.865 168.446, 270.409 168.299 L 270.043 168.177 Q 269.636 168.421, 269.457 168.714 Q 269.278 168.999, 269.278 169.373 Q 269.278 169.853, 269.62 170.146 Q 269.961 170.431, 270.531 170.431 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 348.01 192.316 Q 349.035 192.316, 349.547 193.015 Q 350.068 193.707, 350.068 195.09 Q 350.068 196.619, 349.425 197.417 Q 348.791 198.206, 347.562 198.206 Q 347.204 198.206, 346.895 198.124 Q 346.594 198.043, 346.301 197.872 L 346.619 197.327 Q 347.042 197.555, 347.554 197.555 Q 348.368 197.555, 348.783 197.034 Q 349.198 196.505, 349.246 195.423 Q 348.954 195.692, 348.579 195.838 Q 348.213 195.977, 347.815 195.977 Q 347.31 195.977, 346.912 195.757 Q 346.513 195.537, 346.293 195.139 Q 346.074 194.74, 346.074 194.236 Q 346.074 193.674, 346.318 193.243 Q 346.57 192.804, 347.009 192.56 Q 347.449 192.316, 348.01 192.316 M 346.887 194.227 Q 346.887 194.74, 347.172 195.033 Q 347.457 195.326, 347.961 195.326 Q 348.311 195.326, 348.653 195.187 Q 349.002 195.041, 349.246 194.797 Q 349.214 193.845, 348.913 193.414 Q 348.612 192.983, 348.002 192.983 Q 347.693 192.983, 347.432 193.145 Q 347.18 193.308, 347.034 193.593 Q 346.887 193.878, 346.887 194.227 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 370.903 101.592 L 372.164 101.592 L 372.164 97.2883 L 370.772 97.7195 L 370.585 97.2395 L 372.351 96.4504 L 372.928 96.548 L 372.928 101.592 L 374.059 101.592 L 374.059 102.243 L 370.903 102.243 L 370.903 101.592 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 376.662 102.308 Q 375.605 102.308, 375.076 101.527 Q 374.555 100.746, 374.555 99.3547 Q 374.555 97.9635, 375.076 97.1907 Q 375.597 96.4178, 376.662 96.4178 Q 377.728 96.4178, 378.249 97.1907 Q 378.769 97.9635, 378.769 99.3547 Q 378.769 100.746, 378.241 101.527 Q 377.72 102.308, 376.662 102.308 M 376.662 101.657 Q 377.289 101.657, 377.622 101.079 Q 377.956 100.494, 377.956 99.3547 Q 377.956 98.2239, 377.622 97.6463 Q 377.289 97.0686, 376.662 97.0686 Q 376.044 97.0686, 375.702 97.6463 Q 375.369 98.2239, 375.369 99.3547 Q 375.369 100.494, 375.702 101.079 Q 376.044 101.657, 376.662 101.657 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 312.464 35.933 L 313.725 35.933 L 313.725 31.6294 L 312.334 32.0606 L 312.147 31.5806 L 313.912 30.7914 L 314.49 30.8891 L 314.49 35.933 L 315.621 35.933 L 315.621 36.5838 L 312.464 36.5838 L 312.464 35.933 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 316.377 35.933 L 317.638 35.933 L 317.638 31.6294 L 316.247 32.0606 L 316.06 31.5806 L 317.825 30.7914 L 318.403 30.8891 L 318.403 35.933 L 319.534 35.933 L 319.534 36.5838 L 316.377 36.5838 L 316.377 35.933 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 154.317 149.415 L 155.578 149.415 L 155.578 145.112 L 154.187 145.543 L 153.999 145.063 L 155.765 144.274 L 156.342 144.371 L 156.342 149.415 L 157.473 149.415 L 157.473 150.066 L 154.317 150.066 L 154.317 149.415 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 157.896 145.396 Q 158.108 144.851, 158.612 144.55 Q 159.117 144.241, 159.816 144.241 Q 160.687 144.241, 161.175 144.713 Q 161.663 145.185, 161.663 146.023 Q 161.663 146.877, 161.028 147.674 Q 160.402 148.472, 159.1 149.415 L 161.761 149.415 L 161.761 150.066 L 157.88 150.066 L 157.88 149.521 Q 158.954 148.756, 159.588 148.187 Q 160.231 147.617, 160.54 147.105 Q 160.849 146.592, 160.849 146.064 Q 160.849 145.51, 160.573 145.201 Q 160.296 144.892, 159.816 144.892 Q 159.352 144.892, 159.043 145.079 Q 158.734 145.266, 158.515 145.681 L 157.896 145.396 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 136.737 110.917 L 137.998 110.917 L 137.998 106.613 L 136.607 107.044 L 136.42 106.564 L 138.185 105.775 L 138.763 105.873 L 138.763 110.917 L 139.894 110.917 L 139.894 111.567 L 136.737 111.567 L 136.737 110.917 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 143.001 108.533 Q 143.563 108.696, 143.831 109.062 Q 144.108 109.42, 144.108 109.989 Q 144.108 110.477, 143.864 110.86 Q 143.62 111.234, 143.172 111.445 Q 142.725 111.649, 142.139 111.649 Q 141.521 111.649, 141.057 111.437 Q 140.601 111.218, 140.235 110.778 L 140.699 110.306 Q 141.057 110.697, 141.358 110.851 Q 141.659 110.998, 142.139 110.998 Q 142.66 110.998, 142.977 110.721 Q 143.294 110.437, 143.294 109.981 Q 143.294 109.395, 142.961 109.135 Q 142.635 108.866, 141.928 108.866 L 141.513 108.866 L 141.513 108.281 L 141.879 108.281 Q 142.505 108.273, 142.839 108.004 Q 143.172 107.727, 143.172 107.215 Q 143.172 106.841, 142.896 106.621 Q 142.619 106.393, 142.147 106.393 Q 141.667 106.393, 141.366 106.564 Q 141.073 106.735, 140.846 107.166 L 140.284 106.865 Q 140.488 106.385, 140.976 106.068 Q 141.464 105.742, 142.147 105.742 Q 142.993 105.742, 143.49 106.141 Q 143.986 106.54, 143.986 107.215 Q 143.986 107.679, 143.734 108.012 Q 143.481 108.346, 143.001 108.533 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 87.6308 126.101 L 88.8917 126.101 L 88.8917 121.797 L 87.5006 122.229 L 87.3135 121.749 L 89.0788 120.96 L 89.6565 121.057 L 89.6565 126.101 L 90.7873 126.101 L 90.7873 126.752 L 87.6308 126.752 L 87.6308 126.101 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 94.7736 124.775 L 95.4651 124.775 L 95.4651 125.426 L 94.7736 125.426 L 94.7736 126.752 L 94.0089 126.752 L 94.0089 125.426 L 91.0313 125.426 L 91.0313 124.913 L 93.5533 120.992 L 94.7736 120.992 L 94.7736 124.775 M 91.975 124.775 L 94.0089 124.775 L 94.0089 121.513 L 91.975 124.775 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 65.7343 100.398 L 66.9953 100.398 L 66.9953 96.0948 L 65.6042 96.5259 L 65.417 96.046 L 67.1824 95.2568 L 67.76 95.3545 L 67.76 100.398 L 68.8908 100.398 L 68.8908 101.049 L 65.7343 101.049 L 65.7343 100.398 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 71.3559 97.4452 Q 71.8602 97.4452, 72.2751 97.6649 Q 72.6901 97.8764, 72.926 98.2832 Q 73.1619 98.6818, 73.1619 99.2269 Q 73.1619 99.8208, 72.869 100.252 Q 72.5843 100.675, 72.1124 100.895 Q 71.6406 101.114, 71.1037 101.114 Q 70.5749 101.114, 70.0867 100.919 Q 69.5986 100.724, 69.2651 100.35 L 69.7532 99.8452 Q 70.0217 100.138, 70.3877 100.301 Q 70.7538 100.455, 71.1281 100.455 Q 71.6406 100.455, 71.9904 100.138 Q 72.3484 99.8208, 72.3484 99.2432 Q 72.3484 98.633, 71.9904 98.3483 Q 71.6406 98.0554, 71.0793 98.0554 Q 70.5749 98.0554, 70.0135 98.275 L 69.5661 98.0635 L 69.8427 95.2894 L 72.8039 95.2894 L 72.7226 95.9402 L 70.5098 95.9402 L 70.3389 97.6486 Q 70.8515 97.4452, 71.3559 97.4452 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 85.7727 42.832 L 87.0337 42.832 L 87.0337 38.5284 L 85.6425 38.9596 L 85.4554 38.4796 L 87.2208 37.6905 L 87.7984 37.7881 L 87.7984 42.832 L 88.9292 42.832 L 88.9292 43.4829 L 85.7727 43.4829 L 85.7727 42.832 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 91.7359 39.887 Q 92.2403 39.887, 92.6389 40.1067 Q 93.0376 40.3263, 93.2572 40.725 Q 93.4769 41.1236, 93.4769 41.628 Q 93.4769 42.1893, 93.2247 42.6286 Q 92.9806 43.0598, 92.5413 43.3039 Q 92.102 43.5479, 91.5407 43.5479 Q 90.5156 43.5479, 89.9949 42.8564 Q 89.4824 42.1568, 89.4824 40.7738 Q 89.4824 39.2443, 90.117 38.4552 Q 90.7597 37.6579, 91.9881 37.6579 Q 92.3461 37.6579, 92.6471 37.7393 Q 92.9562 37.8206, 93.2491 37.9915 L 92.9318 38.5366 Q 92.5088 38.3088, 91.9962 38.3088 Q 91.1827 38.3088, 90.7678 38.8376 Q 90.3529 39.3582, 90.3041 40.4402 Q 90.597 40.1718, 90.9631 40.0335 Q 91.3373 39.887, 91.7359 39.887 M 91.5488 42.8808 Q 91.8579 42.8808, 92.1101 42.7181 Q 92.3705 42.5554, 92.5169 42.2707 Q 92.6633 41.9859, 92.6633 41.6361 Q 92.6633 41.1236, 92.3786 40.8307 Q 92.0939 40.5379, 91.5895 40.5379 Q 91.2397 40.5379, 90.8898 40.6843 Q 90.5482 40.8226, 90.3041 41.0667 Q 90.3366 42.0185, 90.6376 42.4497 Q 90.9386 42.8808, 91.5488 42.8808 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 17.8747 110.385 L 19.1357 110.385 L 19.1357 106.082 L 17.7445 106.513 L 17.5574 106.033 L 19.3228 105.244 L 19.9004 105.342 L 19.9004 110.385 L 21.0312 110.385 L 21.0312 111.036 L 17.8747 111.036 L 17.8747 110.385 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 24.1959 105.927 L 21.1777 105.927 L 21.1777 105.276 L 25.0013 105.276 L 25.0013 105.854 L 22.6746 111.036 L 21.8936 111.036 L 24.1959 105.927 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 76.4106 176.044 L 77.6716 176.044 L 77.6716 171.741 L 76.2805 172.172 L 76.0933 171.692 L 77.8587 170.903 L 78.4363 171 L 78.4363 176.044 L 79.5671 176.044 L 79.5671 176.695 L 76.4106 176.695 L 76.4106 176.044 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 83.0084 173.644 Q 83.5372 173.872, 83.8382 174.214 Q 84.1392 174.547, 84.1392 175.117 Q 84.1392 175.605, 83.887 175.987 Q 83.6348 176.362, 83.1792 176.573 Q 82.7318 176.777, 82.1379 176.777 Q 81.1779 176.777, 80.6247 176.337 Q 80.0715 175.89, 80.0715 175.117 Q 80.0715 174.645, 80.3156 174.295 Q 80.5597 173.937, 81.0641 173.669 Q 80.6898 173.457, 80.4864 173.148 Q 80.2831 172.831, 80.2831 172.343 Q 80.2831 171.668, 80.7712 171.269 Q 81.2674 170.87, 82.1054 170.87 Q 82.9433 170.87, 83.4314 171.269 Q 83.9277 171.668, 83.9277 172.343 Q 83.9277 172.766, 83.6918 173.083 Q 83.464 173.392, 83.0084 173.644 M 82.1054 171.48 Q 81.6254 171.48, 81.3569 171.708 Q 81.0966 171.936, 81.0966 172.343 Q 81.0966 172.644, 81.2756 172.847 Q 81.4545 173.042, 81.7067 173.156 Q 81.9671 173.27, 82.4633 173.441 Q 82.8132 173.197, 82.9596 172.937 Q 83.1142 172.676, 83.1142 172.343 Q 83.1142 171.936, 82.8457 171.708 Q 82.5854 171.48, 82.1054 171.48 M 82.1379 176.166 Q 82.6749 176.166, 83.0003 175.882 Q 83.3257 175.589, 83.3257 175.109 Q 83.3257 174.8, 83.1548 174.604 Q 82.984 174.409, 82.7237 174.295 Q 82.4715 174.181, 82.0159 174.035 L 81.6498 173.913 Q 81.243 174.157, 81.0641 174.45 Q 80.8851 174.735, 80.8851 175.109 Q 80.8851 175.589, 81.2268 175.882 Q 81.5684 176.166, 82.1379 176.166 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 140.788 187.804 L 142.049 187.804 L 142.049 183.5 L 140.658 183.931 L 140.471 183.451 L 142.236 182.662 L 142.814 182.76 L 142.814 187.804 L 143.945 187.804 L 143.945 188.455 L 140.788 188.455 L 140.788 187.804 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 146.328 182.63 Q 147.354 182.63, 147.866 183.329 Q 148.387 184.021, 148.387 185.404 Q 148.387 186.933, 147.744 187.731 Q 147.109 188.52, 145.881 188.52 Q 145.523 188.52, 145.214 188.438 Q 144.913 188.357, 144.62 188.186 L 144.937 187.641 Q 145.36 187.869, 145.873 187.869 Q 146.686 187.869, 147.101 187.348 Q 147.516 186.819, 147.565 185.737 Q 147.272 186.006, 146.898 186.152 Q 146.532 186.291, 146.133 186.291 Q 145.629 186.291, 145.23 186.071 Q 144.832 185.851, 144.612 185.453 Q 144.392 185.054, 144.392 184.55 Q 144.392 183.988, 144.636 183.557 Q 144.889 183.118, 145.328 182.874 Q 145.767 182.63, 146.328 182.63 M 145.206 184.541 Q 145.206 185.054, 145.491 185.347 Q 145.775 185.64, 146.28 185.64 Q 146.629 185.64, 146.971 185.501 Q 147.321 185.355, 147.565 185.111 Q 147.532 184.159, 147.231 183.728 Q 146.93 183.297, 146.32 183.297 Q 146.011 183.297, 145.751 183.459 Q 145.499 183.622, 145.352 183.907 Q 145.206 184.192, 145.206 184.541 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 166.466 214.628 Q 166.678 214.083, 167.182 213.782 Q 167.686 213.473, 168.386 213.473 Q 169.256 213.473, 169.745 213.945 Q 170.233 214.417, 170.233 215.255 Q 170.233 216.109, 169.598 216.906 Q 168.972 217.703, 167.67 218.647 L 170.33 218.647 L 170.33 219.298 L 166.45 219.298 L 166.45 218.753 Q 167.524 217.988, 168.158 217.419 Q 168.801 216.849, 169.11 216.337 Q 169.419 215.824, 169.419 215.295 Q 169.419 214.742, 169.143 214.433 Q 168.866 214.124, 168.386 214.124 Q 167.922 214.124, 167.613 214.311 Q 167.304 214.498, 167.084 214.913 L 166.466 214.628 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 172.934 219.363 Q 171.876 219.363, 171.347 218.582 Q 170.827 217.801, 170.827 216.41 Q 170.827 215.019, 171.347 214.246 Q 171.868 213.473, 172.934 213.473 Q 173.999 213.473, 174.52 214.246 Q 175.041 215.019, 175.041 216.41 Q 175.041 217.801, 174.512 218.582 Q 173.991 219.363, 172.934 219.363 M 172.934 218.712 Q 173.56 218.712, 173.894 218.134 Q 174.227 217.549, 174.227 216.41 Q 174.227 215.279, 173.894 214.701 Q 173.56 214.124, 172.934 214.124 Q 172.315 214.124, 171.974 214.701 Q 171.64 215.279, 171.64 216.41 Q 171.64 217.549, 171.974 218.134 Q 172.315 218.712, 172.934 218.712 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 226.821 203.31 Q 227.033 202.765, 227.537 202.464 Q 228.041 202.155, 228.741 202.155 Q 229.611 202.155, 230.1 202.627 Q 230.588 203.099, 230.588 203.937 Q 230.588 204.791, 229.953 205.588 Q 229.327 206.385, 228.025 207.329 L 230.685 207.329 L 230.685 207.98 L 226.805 207.98 L 226.805 207.435 Q 227.879 206.67, 228.513 206.101 Q 229.156 205.531, 229.465 205.019 Q 229.774 204.506, 229.774 203.977 Q 229.774 203.424, 229.498 203.115 Q 229.221 202.806, 228.741 202.806 Q 228.277 202.806, 227.968 202.993 Q 227.659 203.18, 227.439 203.595 L 226.821 203.31 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 231.442 207.329 L 232.703 207.329 L 232.703 203.026 L 231.312 203.457 L 231.125 202.977 L 232.89 202.188 L 233.468 202.285 L 233.468 207.329 L 234.598 207.329 L 234.598 207.98 L 231.442 207.98 L 231.442 207.329 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 155.405 264.555 Q 155.616 264.01, 156.12 263.709 Q 156.625 263.4, 157.325 263.4 Q 158.195 263.4, 158.683 263.872 Q 159.171 264.344, 159.171 265.182 Q 159.171 266.036, 158.537 266.833 Q 157.91 267.63, 156.609 268.574 L 159.269 268.574 L 159.269 269.225 L 155.388 269.225 L 155.388 268.68 Q 156.462 267.915, 157.097 267.346 Q 157.739 266.776, 158.049 266.264 Q 158.358 265.751, 158.358 265.222 Q 158.358 264.669, 158.081 264.36 Q 157.804 264.051, 157.325 264.051 Q 156.861 264.051, 156.552 264.238 Q 156.243 264.425, 156.023 264.84 L 155.405 264.555 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 159.692 264.555 Q 159.903 264.01, 160.408 263.709 Q 160.912 263.4, 161.612 263.4 Q 162.482 263.4, 162.97 263.872 Q 163.459 264.344, 163.459 265.182 Q 163.459 266.036, 162.824 266.833 Q 162.198 267.63, 160.896 268.574 L 163.556 268.574 L 163.556 269.225 L 159.676 269.225 L 159.676 268.68 Q 160.75 267.915, 161.384 267.346 Q 162.027 266.776, 162.336 266.264 Q 162.645 265.751, 162.645 265.222 Q 162.645 264.669, 162.368 264.36 Q 162.092 264.051, 161.612 264.051 Q 161.148 264.051, 160.839 264.238 Q 160.53 264.425, 160.31 264.84 L 159.692 264.555 \" fill=\"#000000\"/>\n",
"</svg>"
],
"text/plain": [
"<IPython.core.display.SVG object>"
]
},
"execution_count": 8,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"draw(mol)"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"If you change the double bond stereochemistry specifier to `BondStereo.STEREOANY` the RDKit will actually draw a crossed bond:"
]
},
{
"cell_type": "code",
"execution_count": 10,
"metadata": {},
"outputs": [],
"source": [
"b.SetStereo(Chem.BondStereo.STEREOANY)"
]
},
{
"cell_type": "code",
"execution_count": 11,
"metadata": {},
"outputs": [
{
"data": {
"image/svg+xml": [
"<svg baseProfile=\"full\" height=\"300px\" version=\"1.1\" viewBox=\"0 0 400 300\" width=\"400px\" xml:space=\"preserve\" xmlns=\"http://www.w3.org/2000/svg\" xmlns:rdkit=\"http://www.rdkit.org/xml\" xmlns:xlink=\"http://www.w3.org/1999/xlink\">\n",
"<!-- END OF HEADER -->\n",
"<rect height=\"300\" style=\"opacity:1.0;fill:#FFFFFF;stroke:none\" width=\"400\" x=\"0\" y=\"0\"> </rect>\n",
"<path class=\"bond-0\" d=\"M 198.704,98.3801 L 206.25,138.351\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-1\" d=\"M 206.25,138.351 L 213.795,178.322\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-2\" d=\"M 206.25,138.351 L 246.22,130.806\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-11\" d=\"M 206.25,138.351 L 166.279,145.896\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-3\" d=\"M 246.22,130.806 L 259.672,92.4174\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-3\" d=\"M 255.916,127.738 L 265.332,100.866\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-22\" d=\"M 246.22,130.806 L 272.74,161.649\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-4\" d=\"M 259.672,92.4174 L 299.643,84.8722\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-5\" d=\"M 299.643,84.8722 L 326.162,115.715\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-5\" d=\"M 297.452,94.8026 L 316.016,116.393\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-10\" d=\"M 299.643,84.8722 L 305.181,69.0664\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-10\" d=\"M 305.181,69.0664 L 310.719,53.2605\" style=\"fill:none;fill-rule:evenodd;stroke:#7F4C19;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-6\" d=\"M 326.162,115.715 L 312.711,154.104\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-9\" d=\"M 326.162,115.715 L 342.995,112.538\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-9\" d=\"M 342.995,112.538 L 359.828,109.36\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-7\" d=\"M 312.711,154.104 L 272.74,161.649\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-7\" d=\"M 305.207,147.241 L 277.227,152.523\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-8\" d=\"M 312.711,154.104 L 323.506,166.659\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-8\" d=\"M 323.506,166.659 L 334.301,179.213\" style=\"fill:none;fill-rule:evenodd;stroke:#7F4C19;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-12\" d=\"M 169.363,143.244 L 136.675,117.705\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-12\" d=\"M 163.194,148.548 L 142.843,112.401\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-18\" d=\"M 166.279,145.896 L 152.828,184.285\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-13\" d=\"M 139.759,115.053 L 99.788,122.598\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-14\" d=\"M 99.788,122.598 L 73.2682,91.7549\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-17\" d=\"M 99.788,122.598 L 94.2497,138.404\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-17\" d=\"M 94.2497,138.404 L 88.7114,154.21\" style=\"fill:none;fill-rule:evenodd;stroke:#7F4C19;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-15\" d=\"M 77.1071,93.1001 L 82.6026,77.4163\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-15\" d=\"M 82.6026,77.4163 L 88.0981,61.7325\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-15\" d=\"M 69.4294,90.4098 L 74.9249,74.726\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-15\" d=\"M 74.9249,74.726 L 80.4204,59.0422\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-16\" d=\"M 73.2682,91.7549 L 56.4352,94.9325\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-16\" d=\"M 56.4352,94.9325 L 39.6022,98.11\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-19\" d=\"M 152.828,184.285 L 179.347,215.128\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-20\" d=\"M 180.102,219.125 L 196.935,215.947\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-20\" d=\"M 196.935,215.947 L 213.768,212.77\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-20\" d=\"M 178.593,211.131 L 195.426,207.953\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-20\" d=\"M 195.426,207.953 L 212.259,204.776\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-21\" d=\"M 179.347,215.128 L 173.82,230.901\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-21\" d=\"M 173.82,230.901 L 168.294,246.674\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"atom-9\" d=\"M 340.915 184.654 Q 342.021 184.963, 342.575 185.647 Q 343.144 186.314, 343.144 187.306 Q 343.144 188.901, 342.119 189.812 Q 341.11 190.707, 339.19 190.707 L 335.318 190.707 L 335.318 179.187 L 338.718 179.187 Q 340.687 179.187, 341.68 179.984 Q 342.672 180.782, 342.672 182.246 Q 342.672 183.987, 340.915 184.654 M 336.864 180.489 L 336.864 184.101 L 338.718 184.101 Q 339.857 184.101, 340.443 183.645 Q 341.045 183.174, 341.045 182.246 Q 341.045 180.489, 338.718 180.489 L 336.864 180.489 M 339.19 189.405 Q 340.313 189.405, 340.915 188.868 Q 341.517 188.331, 341.517 187.306 Q 341.517 186.363, 340.85 185.891 Q 340.199 185.403, 338.946 185.403 L 336.864 185.403 L 336.864 189.405 L 339.19 189.405 \" fill=\"#7F4C19\"/>\n",
"<path class=\"atom-9\" d=\"M 345.764 182.344 L 345.943 183.499 Q 346.821 182.197, 348.253 182.197 Q 348.709 182.197, 349.327 182.36 L 349.083 183.727 Q 348.383 183.564, 347.993 183.564 Q 347.309 183.564, 346.854 183.841 Q 346.414 184.101, 346.057 184.736 L 346.057 190.707 L 344.527 190.707 L 344.527 182.344 L 345.764 182.344 \" fill=\"#7F4C19\"/>\n",
"<path class=\"atom-10\" d=\"M 360.845 108.203 Q 360.845 105.437, 362.212 103.891 Q 363.579 102.345, 366.133 102.345 Q 368.688 102.345, 370.054 103.891 Q 371.421 105.437, 371.421 108.203 Q 371.421 111.001, 370.038 112.596 Q 368.655 114.174, 366.133 114.174 Q 363.595 114.174, 362.212 112.596 Q 360.845 111.018, 360.845 108.203 M 366.133 112.872 Q 367.89 112.872, 368.834 111.701 Q 369.794 110.513, 369.794 108.203 Q 369.794 105.941, 368.834 104.802 Q 367.89 103.647, 366.133 103.647 Q 364.376 103.647, 363.416 104.786 Q 362.472 105.925, 362.472 108.203 Q 362.472 110.529, 363.416 111.701 Q 364.376 112.872, 366.133 112.872 \" fill=\"#FF0000\"/>\n",
"<path class=\"atom-10\" d=\"M 372.804 102.475 L 374.366 102.475 L 374.366 107.373 L 380.256 107.373 L 380.256 102.475 L 381.818 102.475 L 381.818 113.995 L 380.256 113.995 L 380.256 108.675 L 374.366 108.675 L 374.366 113.995 L 372.804 113.995 L 372.804 102.475 \" fill=\"#FF0000\"/>\n",
"<path class=\"atom-11\" d=\"M 314.778 46.1909 Q 315.884 46.5, 316.437 47.1834 Q 317.007 47.8505, 317.007 48.843 Q 317.007 50.4376, 315.982 51.3487 Q 314.973 52.2436, 313.053 52.2436 L 309.181 52.2436 L 309.181 40.7239 L 312.581 40.7239 Q 314.55 40.7239, 315.542 41.5212 Q 316.535 42.3185, 316.535 43.7828 Q 316.535 45.5238, 314.778 46.1909 M 310.726 42.0256 L 310.726 45.6377 L 312.581 45.6377 Q 313.72 45.6377, 314.306 45.1821 Q 314.908 44.7103, 314.908 43.7828 Q 314.908 42.0256, 312.581 42.0256 L 310.726 42.0256 M 313.053 50.9419 Q 314.176 50.9419, 314.778 50.405 Q 315.38 49.8681, 315.38 48.843 Q 315.38 47.8993, 314.713 47.4275 Q 314.062 46.9393, 312.809 46.9393 L 310.726 46.9393 L 310.726 50.9419 L 313.053 50.9419 \" fill=\"#7F4C19\"/>\n",
"<path class=\"atom-11\" d=\"M 319.626 43.8804 L 319.805 45.0357 Q 320.684 43.734, 322.116 43.734 Q 322.571 43.734, 323.19 43.8967 L 322.946 45.2635 Q 322.246 45.1008, 321.855 45.1008 Q 321.172 45.1008, 320.716 45.3774 Q 320.277 45.6377, 319.919 46.2722 L 319.919 52.2436 L 318.39 52.2436 L 318.39 43.8804 L 319.626 43.8804 \" fill=\"#7F4C19\"/>\n",
"<path class=\"atom-16\" d=\"M 81.4314 53.3991 Q 81.4314 50.6331, 82.7981 49.0873 Q 84.1648 47.5416, 86.7193 47.5416 Q 89.2738 47.5416, 90.6406 49.0873 Q 92.0073 50.6331, 92.0073 53.3991 Q 92.0073 56.1976, 90.6243 57.7922 Q 89.2413 59.3704, 86.7193 59.3704 Q 84.1811 59.3704, 82.7981 57.7922 Q 81.4314 56.2139, 81.4314 53.3991 M 86.7193 58.0688 Q 88.4766 58.0688, 89.4203 56.8973 Q 90.3803 55.7095, 90.3803 53.3991 Q 90.3803 51.1374, 89.4203 49.9985 Q 88.4766 48.8433, 86.7193 48.8433 Q 84.9621 48.8433, 84.0021 49.9822 Q 83.0584 51.1212, 83.0584 53.3991 Q 83.0584 55.7258, 84.0021 56.8973 Q 84.9621 58.0688, 86.7193 58.0688 \" fill=\"#FF0000\"/>\n",
"<path class=\"atom-17\" d=\"M 18.1818 93.6054 L 19.7438 93.6054 L 19.7438 98.5029 L 25.6338 98.5029 L 25.6338 93.6054 L 27.1958 93.6054 L 27.1958 105.125 L 25.6338 105.125 L 25.6338 99.8045 L 19.7438 99.8045 L 19.7438 105.125 L 18.1818 105.125 L 18.1818 93.6054 \" fill=\"#FF0000\"/>\n",
"<path class=\"atom-17\" d=\"M 28.0093 99.3327 Q 28.0093 96.5667, 29.3761 95.0209 Q 30.7428 93.4752, 33.2973 93.4752 Q 35.8518 93.4752, 37.2186 95.0209 Q 38.5853 96.5667, 38.5853 99.3327 Q 38.5853 102.131, 37.2023 103.726 Q 35.8193 105.304, 33.2973 105.304 Q 30.7591 105.304, 29.3761 103.726 Q 28.0093 102.148, 28.0093 99.3327 M 33.2973 104.002 Q 35.0546 104.002, 35.9983 102.831 Q 36.9582 101.643, 36.9582 99.3327 Q 36.9582 97.0711, 35.9983 95.9321 Q 35.0546 94.7769, 33.2973 94.7769 Q 31.5401 94.7769, 30.5801 95.9158 Q 29.6364 97.0548, 29.6364 99.3327 Q 29.6364 101.659, 30.5801 102.831 Q 31.5401 104.002, 33.2973 104.002 \" fill=\"#FF0000\"/>\n",
"<path class=\"atom-18\" d=\"M 88.0209 160.694 Q 89.1273 161.003, 89.6805 161.686 Q 90.25 162.353, 90.25 163.346 Q 90.25 164.94, 89.2249 165.852 Q 88.2162 166.746, 86.2962 166.746 L 82.4238 166.746 L 82.4238 155.227 L 85.8244 155.227 Q 87.7931 155.227, 88.7856 156.024 Q 89.7781 156.821, 89.7781 158.286 Q 89.7781 160.027, 88.0209 160.694 M 83.9695 156.528 L 83.9695 160.141 L 85.8244 160.141 Q 86.9633 160.141, 87.5491 159.685 Q 88.1511 159.213, 88.1511 158.286 Q 88.1511 156.528, 85.8244 156.528 L 83.9695 156.528 M 86.2962 165.445 Q 87.4189 165.445, 88.0209 164.908 Q 88.6229 164.371, 88.6229 163.346 Q 88.6229 162.402, 87.9558 161.93 Q 87.305 161.442, 86.0522 161.442 L 83.9695 161.442 L 83.9695 165.445 L 86.2962 165.445 \" fill=\"#7F4C19\"/>\n",
"<path class=\"atom-18\" d=\"M 92.8696 158.383 L 93.0486 159.538 Q 93.9272 158.237, 95.359 158.237 Q 95.8146 158.237, 96.4329 158.4 L 96.1888 159.766 Q 95.4892 159.604, 95.0987 159.604 Q 94.4153 159.604, 93.9597 159.88 Q 93.5204 160.141, 93.1625 160.775 L 93.1625 166.746 L 91.633 166.746 L 91.633 158.383 L 92.8696 158.383 \" fill=\"#7F4C19\"/>\n",
"<path class=\"atom-21\" d=\"M 214.03 207.615 Q 214.03 204.849, 215.397 203.303 Q 216.764 201.758, 219.318 201.758 Q 221.873 201.758, 223.24 203.303 Q 224.606 204.849, 224.606 207.615 Q 224.606 210.414, 223.223 212.008 Q 221.84 213.587, 219.318 213.587 Q 216.78 213.587, 215.397 212.008 Q 214.03 210.43, 214.03 207.615 M 219.318 212.285 Q 221.075 212.285, 222.019 211.113 Q 222.979 209.926, 222.979 207.615 Q 222.979 205.354, 222.019 204.215 Q 221.075 203.059, 219.318 203.059 Q 217.561 203.059, 216.601 204.198 Q 215.657 205.337, 215.657 207.615 Q 215.657 209.942, 216.601 211.113 Q 217.561 212.285, 219.318 212.285 \" fill=\"#FF0000\"/>\n",
"<path class=\"atom-22\" d=\"M 160.608 253.549 Q 160.608 250.783, 161.975 249.237 Q 163.342 247.691, 165.896 247.691 Q 168.451 247.691, 169.817 249.237 Q 171.184 250.783, 171.184 253.549 Q 171.184 256.347, 169.801 257.942 Q 168.418 259.52, 165.896 259.52 Q 163.358 259.52, 161.975 257.942 Q 160.608 256.364, 160.608 253.549 M 165.896 258.218 Q 167.653 258.218, 168.597 257.047 Q 169.557 255.859, 169.557 253.549 Q 169.557 251.287, 168.597 250.148 Q 167.653 248.993, 165.896 248.993 Q 164.139 248.993, 163.179 250.132 Q 162.235 251.271, 162.235 253.549 Q 162.235 255.875, 163.179 257.047 Q 164.139 258.218, 165.896 258.218 \" fill=\"#FF0000\"/>\n",
"<path class=\"atom-22\" d=\"M 172.567 247.821 L 174.129 247.821 L 174.129 252.719 L 180.019 252.719 L 180.019 247.821 L 181.581 247.821 L 181.581 259.341 L 180.019 259.341 L 180.019 254.021 L 174.129 254.021 L 174.129 259.341 L 172.567 259.341 L 172.567 247.821 \" fill=\"#FF0000\"/>\n",
"<path class=\"note\" d=\"M 192.043 102.615 Q 190.985 102.615, 190.456 101.834 Q 189.936 101.053, 189.936 99.662 Q 189.936 98.2709, 190.456 97.498 Q 190.977 96.7252, 192.043 96.7252 Q 193.108 96.7252, 193.629 97.498 Q 194.15 98.2709, 194.15 99.662 Q 194.15 101.053, 193.621 101.834 Q 193.1 102.615, 192.043 102.615 M 192.043 101.964 Q 192.669 101.964, 193.003 101.387 Q 193.336 100.801, 193.336 99.662 Q 193.336 98.5312, 193.003 97.9536 Q 192.669 97.376, 192.043 97.376 Q 191.424 97.376, 191.083 97.9536 Q 190.749 98.5312, 190.749 99.662 Q 190.749 100.801, 191.083 101.387 Q 191.424 101.964, 192.043 101.964 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 208.651 134.997 L 209.912 134.997 L 209.912 130.693 L 208.521 131.124 L 208.334 130.644 L 210.099 129.855 L 210.677 129.953 L 210.677 134.997 L 211.808 134.997 L 211.808 135.647 L 208.651 135.647 L 208.651 134.997 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 218.533 175.307 Q 218.744 174.762, 219.249 174.461 Q 219.753 174.152, 220.453 174.152 Q 221.323 174.152, 221.811 174.624 Q 222.299 175.096, 222.299 175.934 Q 222.299 176.788, 221.665 177.585 Q 221.038 178.382, 219.737 179.326 L 222.397 179.326 L 222.397 179.977 L 218.516 179.977 L 218.516 179.432 Q 219.59 178.667, 220.225 178.098 Q 220.867 177.528, 221.177 177.016 Q 221.486 176.503, 221.486 175.974 Q 221.486 175.421, 221.209 175.112 Q 220.933 174.803, 220.453 174.803 Q 219.989 174.803, 219.68 174.99 Q 219.371 175.177, 219.151 175.592 L 218.533 175.307 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 242.63 125.543 Q 243.192 125.706, 243.46 126.072 Q 243.737 126.43, 243.737 126.999 Q 243.737 127.488, 243.493 127.87 Q 243.249 128.244, 242.801 128.456 Q 242.354 128.659, 241.768 128.659 Q 241.15 128.659, 240.686 128.448 Q 240.23 128.228, 239.864 127.789 L 240.328 127.317 Q 240.686 127.707, 240.987 127.862 Q 241.288 128.008, 241.768 128.008 Q 242.289 128.008, 242.606 127.732 Q 242.923 127.447, 242.923 126.991 Q 242.923 126.406, 242.59 126.145 Q 242.264 125.877, 241.556 125.877 L 241.142 125.877 L 241.142 125.291 L 241.508 125.291 Q 242.134 125.283, 242.468 125.014 Q 242.801 124.738, 242.801 124.225 Q 242.801 123.851, 242.525 123.631 Q 242.248 123.404, 241.776 123.404 Q 241.296 123.404, 240.995 123.574 Q 240.702 123.745, 240.474 124.176 L 239.913 123.875 Q 240.117 123.395, 240.605 123.078 Q 241.093 122.753, 241.776 122.753 Q 242.622 122.753, 243.118 123.151 Q 243.615 123.55, 243.615 124.225 Q 243.615 124.689, 243.363 125.023 Q 243.11 125.356, 242.63 125.543 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 256.777 88.1799 L 257.469 88.1799 L 257.469 88.8307 L 256.777 88.8307 L 256.777 90.1568 L 256.012 90.1568 L 256.012 88.8307 L 253.035 88.8307 L 253.035 88.3182 L 255.557 84.3969 L 256.777 84.3969 L 256.777 88.1799 M 253.978 88.1799 L 256.012 88.1799 L 256.012 84.9176 L 253.978 88.1799 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 306.447 82.8906 Q 306.951 82.8906, 307.366 83.1103 Q 307.781 83.3218, 308.017 83.7285 Q 308.253 84.1272, 308.253 84.6722 Q 308.253 85.2661, 307.96 85.6973 Q 307.675 86.1203, 307.203 86.34 Q 306.731 86.5596, 306.195 86.5596 Q 305.666 86.5596, 305.178 86.3644 Q 304.689 86.1692, 304.356 85.7949 L 304.844 85.2905 Q 305.113 85.5834, 305.479 85.7461 Q 305.845 85.9007, 306.219 85.9007 Q 306.731 85.9007, 307.081 85.5834 Q 307.439 85.2661, 307.439 84.6885 Q 307.439 84.0784, 307.081 83.7936 Q 306.731 83.5008, 306.17 83.5008 Q 305.666 83.5008, 305.104 83.7204 L 304.657 83.5089 L 304.934 80.7347 L 307.895 80.7347 L 307.813 81.3856 L 305.601 81.3856 L 305.43 83.094 Q 305.942 82.8906, 306.447 82.8906 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 319.757 116.29 Q 320.261 116.29, 320.66 116.509 Q 321.058 116.729, 321.278 117.128 Q 321.498 117.526, 321.498 118.031 Q 321.498 118.592, 321.246 119.031 Q 321.001 119.462, 320.562 119.706 Q 320.123 119.95, 319.561 119.95 Q 318.536 119.95, 318.016 119.259 Q 317.503 118.559, 317.503 117.176 Q 317.503 115.647, 318.138 114.858 Q 318.781 114.06, 320.009 114.06 Q 320.367 114.06, 320.668 114.142 Q 320.977 114.223, 321.27 114.394 L 320.953 114.939 Q 320.53 114.711, 320.017 114.711 Q 319.204 114.711, 318.789 115.24 Q 318.374 115.761, 318.325 116.843 Q 318.618 116.574, 318.984 116.436 Q 319.358 116.29, 319.757 116.29 M 319.57 119.283 Q 319.879 119.283, 320.131 119.121 Q 320.391 118.958, 320.538 118.673 Q 320.684 118.388, 320.684 118.039 Q 320.684 117.526, 320.399 117.233 Q 320.115 116.94, 319.61 116.94 Q 319.26 116.94, 318.911 117.087 Q 318.569 117.225, 318.325 117.469 Q 318.357 118.421, 318.658 118.852 Q 318.959 119.283, 319.57 119.283 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 309.398 146.734 L 306.379 146.734 L 306.379 146.083 L 310.203 146.083 L 310.203 146.661 L 307.876 151.843 L 307.095 151.843 L 309.398 146.734 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 271.401 167.909 Q 271.93 168.137, 272.231 168.478 Q 272.532 168.812, 272.532 169.381 Q 272.532 169.869, 272.28 170.252 Q 272.028 170.626, 271.572 170.838 Q 271.125 171.041, 270.531 171.041 Q 269.571 171.041, 269.018 170.602 Q 268.465 170.154, 268.465 169.381 Q 268.465 168.909, 268.709 168.56 Q 268.953 168.202, 269.457 167.933 Q 269.083 167.722, 268.879 167.413 Q 268.676 167.095, 268.676 166.607 Q 268.676 165.932, 269.164 165.533 Q 269.66 165.135, 270.498 165.135 Q 271.336 165.135, 271.824 165.533 Q 272.321 165.932, 272.321 166.607 Q 272.321 167.03, 272.085 167.347 Q 271.857 167.657, 271.401 167.909 M 270.498 165.745 Q 270.018 165.745, 269.75 165.973 Q 269.49 166.2, 269.49 166.607 Q 269.49 166.908, 269.669 167.112 Q 269.848 167.307, 270.1 167.421 Q 270.36 167.535, 270.856 167.705 Q 271.206 167.461, 271.353 167.201 Q 271.507 166.941, 271.507 166.607 Q 271.507 166.2, 271.239 165.973 Q 270.978 165.745, 270.498 165.745 M 270.531 170.431 Q 271.068 170.431, 271.393 170.146 Q 271.719 169.853, 271.719 169.373 Q 271.719 169.064, 271.548 168.869 Q 271.377 168.674, 271.117 168.56 Q 270.865 168.446, 270.409 168.299 L 270.043 168.177 Q 269.636 168.421, 269.457 168.714 Q 269.278 168.999, 269.278 169.373 Q 269.278 169.853, 269.62 170.146 Q 269.961 170.431, 270.531 170.431 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 348.01 192.316 Q 349.035 192.316, 349.547 193.015 Q 350.068 193.707, 350.068 195.09 Q 350.068 196.619, 349.425 197.417 Q 348.791 198.206, 347.562 198.206 Q 347.204 198.206, 346.895 198.124 Q 346.594 198.043, 346.301 197.872 L 346.619 197.327 Q 347.042 197.555, 347.554 197.555 Q 348.368 197.555, 348.783 197.034 Q 349.198 196.505, 349.246 195.423 Q 348.954 195.692, 348.579 195.838 Q 348.213 195.977, 347.815 195.977 Q 347.31 195.977, 346.912 195.757 Q 346.513 195.537, 346.293 195.139 Q 346.074 194.74, 346.074 194.236 Q 346.074 193.674, 346.318 193.243 Q 346.57 192.804, 347.009 192.56 Q 347.449 192.316, 348.01 192.316 M 346.887 194.227 Q 346.887 194.74, 347.172 195.033 Q 347.457 195.326, 347.961 195.326 Q 348.311 195.326, 348.653 195.187 Q 349.002 195.041, 349.246 194.797 Q 349.214 193.845, 348.913 193.414 Q 348.612 192.983, 348.002 192.983 Q 347.693 192.983, 347.432 193.145 Q 347.18 193.308, 347.034 193.593 Q 346.887 193.878, 346.887 194.227 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 370.903 101.592 L 372.164 101.592 L 372.164 97.2883 L 370.772 97.7195 L 370.585 97.2395 L 372.351 96.4504 L 372.928 96.548 L 372.928 101.592 L 374.059 101.592 L 374.059 102.243 L 370.903 102.243 L 370.903 101.592 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 376.662 102.308 Q 375.605 102.308, 375.076 101.527 Q 374.555 100.746, 374.555 99.3547 Q 374.555 97.9635, 375.076 97.1907 Q 375.597 96.4178, 376.662 96.4178 Q 377.728 96.4178, 378.249 97.1907 Q 378.769 97.9635, 378.769 99.3547 Q 378.769 100.746, 378.241 101.527 Q 377.72 102.308, 376.662 102.308 M 376.662 101.657 Q 377.289 101.657, 377.622 101.079 Q 377.956 100.494, 377.956 99.3547 Q 377.956 98.2239, 377.622 97.6463 Q 377.289 97.0686, 376.662 97.0686 Q 376.044 97.0686, 375.702 97.6463 Q 375.369 98.2239, 375.369 99.3547 Q 375.369 100.494, 375.702 101.079 Q 376.044 101.657, 376.662 101.657 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 312.464 35.933 L 313.725 35.933 L 313.725 31.6294 L 312.334 32.0606 L 312.147 31.5806 L 313.912 30.7914 L 314.49 30.8891 L 314.49 35.933 L 315.621 35.933 L 315.621 36.5838 L 312.464 36.5838 L 312.464 35.933 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 316.377 35.933 L 317.638 35.933 L 317.638 31.6294 L 316.247 32.0606 L 316.06 31.5806 L 317.825 30.7914 L 318.403 30.8891 L 318.403 35.933 L 319.534 35.933 L 319.534 36.5838 L 316.377 36.5838 L 316.377 35.933 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 165.462 135.362 L 166.723 135.362 L 166.723 131.058 L 165.332 131.489 L 165.145 131.009 L 166.91 130.22 L 167.488 130.318 L 167.488 135.362 L 168.619 135.362 L 168.619 136.013 L 165.462 136.013 L 165.462 135.362 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 169.042 131.343 Q 169.253 130.798, 169.758 130.497 Q 170.262 130.188, 170.962 130.188 Q 171.832 130.188, 172.32 130.659 Q 172.808 131.131, 172.808 131.969 Q 172.808 132.823, 172.174 133.621 Q 171.547 134.418, 170.246 135.362 L 172.906 135.362 L 172.906 136.013 L 169.025 136.013 L 169.025 135.467 Q 170.099 134.703, 170.734 134.133 Q 171.377 133.564, 171.686 133.051 Q 171.995 132.539, 171.995 132.01 Q 171.995 131.457, 171.718 131.148 Q 171.442 130.838, 170.962 130.838 Q 170.498 130.838, 170.189 131.026 Q 169.88 131.213, 169.66 131.628 L 169.042 131.343 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 133.238 110.653 L 134.499 110.653 L 134.499 106.349 L 133.108 106.78 L 132.921 106.3 L 134.686 105.511 L 135.264 105.609 L 135.264 110.653 L 136.394 110.653 L 136.394 111.304 L 133.238 111.304 L 133.238 110.653 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 139.502 108.269 Q 140.063 108.432, 140.332 108.798 Q 140.608 109.156, 140.608 109.725 Q 140.608 110.213, 140.364 110.596 Q 140.12 110.97, 139.673 111.182 Q 139.225 111.385, 138.64 111.385 Q 138.021 111.385, 137.558 111.173 Q 137.102 110.954, 136.736 110.514 L 137.2 110.043 Q 137.558 110.433, 137.859 110.588 Q 138.16 110.734, 138.64 110.734 Q 139.16 110.734, 139.478 110.458 Q 139.795 110.173, 139.795 109.717 Q 139.795 109.131, 139.461 108.871 Q 139.136 108.603, 138.428 108.603 L 138.013 108.603 L 138.013 108.017 L 138.379 108.017 Q 139.006 108.009, 139.339 107.74 Q 139.673 107.464, 139.673 106.951 Q 139.673 106.577, 139.396 106.357 Q 139.12 106.13, 138.648 106.13 Q 138.168 106.13, 137.867 106.3 Q 137.574 106.471, 137.346 106.902 L 136.785 106.601 Q 136.988 106.121, 137.476 105.804 Q 137.964 105.479, 138.648 105.479 Q 139.494 105.479, 139.99 105.877 Q 140.486 106.276, 140.486 106.951 Q 140.486 107.415, 140.234 107.748 Q 139.982 108.082, 139.502 108.269 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 87.6308 126.101 L 88.8917 126.101 L 88.8917 121.797 L 87.5006 122.229 L 87.3135 121.749 L 89.0788 120.96 L 89.6565 121.057 L 89.6565 126.101 L 90.7873 126.101 L 90.7873 126.752 L 87.6308 126.752 L 87.6308 126.101 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 94.7736 124.775 L 95.4651 124.775 L 95.4651 125.426 L 94.7736 125.426 L 94.7736 126.752 L 94.0089 126.752 L 94.0089 125.426 L 91.0313 125.426 L 91.0313 124.913 L 93.5533 120.992 L 94.7736 120.992 L 94.7736 124.775 M 91.975 124.775 L 94.0089 124.775 L 94.0089 121.513 L 91.975 124.775 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 65.7343 100.398 L 66.9953 100.398 L 66.9953 96.0948 L 65.6042 96.5259 L 65.417 96.046 L 67.1824 95.2568 L 67.76 95.3545 L 67.76 100.398 L 68.8908 100.398 L 68.8908 101.049 L 65.7343 101.049 L 65.7343 100.398 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 71.3559 97.4452 Q 71.8602 97.4452, 72.2751 97.6649 Q 72.6901 97.8764, 72.926 98.2832 Q 73.1619 98.6818, 73.1619 99.2269 Q 73.1619 99.8208, 72.869 100.252 Q 72.5843 100.675, 72.1124 100.895 Q 71.6406 101.114, 71.1037 101.114 Q 70.5749 101.114, 70.0867 100.919 Q 69.5986 100.724, 69.2651 100.35 L 69.7532 99.8452 Q 70.0217 100.138, 70.3877 100.301 Q 70.7538 100.455, 71.1281 100.455 Q 71.6406 100.455, 71.9904 100.138 Q 72.3484 99.8208, 72.3484 99.2432 Q 72.3484 98.633, 71.9904 98.3483 Q 71.6406 98.0554, 71.0793 98.0554 Q 70.5749 98.0554, 70.0135 98.275 L 69.5661 98.0635 L 69.8427 95.2894 L 72.8039 95.2894 L 72.7226 95.9402 L 70.5098 95.9402 L 70.3389 97.6486 Q 70.8515 97.4452, 71.3559 97.4452 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 85.7727 42.832 L 87.0337 42.832 L 87.0337 38.5284 L 85.6425 38.9596 L 85.4554 38.4796 L 87.2208 37.6905 L 87.7984 37.7881 L 87.7984 42.832 L 88.9292 42.832 L 88.9292 43.4829 L 85.7727 43.4829 L 85.7727 42.832 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 91.7359 39.887 Q 92.2403 39.887, 92.6389 40.1067 Q 93.0376 40.3263, 93.2572 40.725 Q 93.4769 41.1236, 93.4769 41.628 Q 93.4769 42.1893, 93.2247 42.6286 Q 92.9806 43.0598, 92.5413 43.3039 Q 92.102 43.5479, 91.5407 43.5479 Q 90.5156 43.5479, 89.9949 42.8564 Q 89.4824 42.1568, 89.4824 40.7738 Q 89.4824 39.2443, 90.117 38.4552 Q 90.7597 37.6579, 91.9881 37.6579 Q 92.3461 37.6579, 92.6471 37.7393 Q 92.9562 37.8206, 93.2491 37.9915 L 92.9318 38.5366 Q 92.5088 38.3088, 91.9962 38.3088 Q 91.1827 38.3088, 90.7678 38.8376 Q 90.3529 39.3582, 90.3041 40.4402 Q 90.597 40.1718, 90.9631 40.0335 Q 91.3373 39.887, 91.7359 39.887 M 91.5488 42.8808 Q 91.8579 42.8808, 92.1101 42.7181 Q 92.3705 42.5554, 92.5169 42.2707 Q 92.6633 41.9859, 92.6633 41.6361 Q 92.6633 41.1236, 92.3786 40.8307 Q 92.0939 40.5379, 91.5895 40.5379 Q 91.2397 40.5379, 90.8898 40.6843 Q 90.5482 40.8226, 90.3041 41.0667 Q 90.3366 42.0185, 90.6376 42.4497 Q 90.9386 42.8808, 91.5488 42.8808 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 17.8747 110.385 L 19.1357 110.385 L 19.1357 106.082 L 17.7445 106.513 L 17.5574 106.033 L 19.3228 105.244 L 19.9004 105.342 L 19.9004 110.385 L 21.0312 110.385 L 21.0312 111.036 L 17.8747 111.036 L 17.8747 110.385 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 24.1959 105.927 L 21.1777 105.927 L 21.1777 105.276 L 25.0013 105.276 L 25.0013 105.854 L 22.6746 111.036 L 21.8936 111.036 L 24.1959 105.927 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 76.4106 176.044 L 77.6716 176.044 L 77.6716 171.741 L 76.2805 172.172 L 76.0933 171.692 L 77.8587 170.903 L 78.4363 171 L 78.4363 176.044 L 79.5671 176.044 L 79.5671 176.695 L 76.4106 176.695 L 76.4106 176.044 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 83.0084 173.644 Q 83.5372 173.872, 83.8382 174.214 Q 84.1392 174.547, 84.1392 175.117 Q 84.1392 175.605, 83.887 175.987 Q 83.6348 176.362, 83.1792 176.573 Q 82.7318 176.777, 82.1379 176.777 Q 81.1779 176.777, 80.6247 176.337 Q 80.0715 175.89, 80.0715 175.117 Q 80.0715 174.645, 80.3156 174.295 Q 80.5597 173.937, 81.0641 173.669 Q 80.6898 173.457, 80.4864 173.148 Q 80.2831 172.831, 80.2831 172.343 Q 80.2831 171.668, 80.7712 171.269 Q 81.2674 170.87, 82.1054 170.87 Q 82.9433 170.87, 83.4314 171.269 Q 83.9277 171.668, 83.9277 172.343 Q 83.9277 172.766, 83.6918 173.083 Q 83.464 173.392, 83.0084 173.644 M 82.1054 171.48 Q 81.6254 171.48, 81.3569 171.708 Q 81.0966 171.936, 81.0966 172.343 Q 81.0966 172.644, 81.2756 172.847 Q 81.4545 173.042, 81.7067 173.156 Q 81.9671 173.27, 82.4633 173.441 Q 82.8132 173.197, 82.9596 172.937 Q 83.1142 172.676, 83.1142 172.343 Q 83.1142 171.936, 82.8457 171.708 Q 82.5854 171.48, 82.1054 171.48 M 82.1379 176.166 Q 82.6749 176.166, 83.0003 175.882 Q 83.3257 175.589, 83.3257 175.109 Q 83.3257 174.8, 83.1548 174.604 Q 82.984 174.409, 82.7237 174.295 Q 82.4715 174.181, 82.0159 174.035 L 81.6498 173.913 Q 81.243 174.157, 81.0641 174.45 Q 80.8851 174.735, 80.8851 175.109 Q 80.8851 175.589, 81.2268 175.882 Q 81.5684 176.166, 82.1379 176.166 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 140.788 187.804 L 142.049 187.804 L 142.049 183.5 L 140.658 183.931 L 140.471 183.451 L 142.236 182.662 L 142.814 182.76 L 142.814 187.804 L 143.945 187.804 L 143.945 188.455 L 140.788 188.455 L 140.788 187.804 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 146.328 182.63 Q 147.354 182.63, 147.866 183.329 Q 148.387 184.021, 148.387 185.404 Q 148.387 186.933, 147.744 187.731 Q 147.109 188.52, 145.881 188.52 Q 145.523 188.52, 145.214 188.438 Q 144.913 188.357, 144.62 188.186 L 144.937 187.641 Q 145.36 187.869, 145.873 187.869 Q 146.686 187.869, 147.101 187.348 Q 147.516 186.819, 147.565 185.737 Q 147.272 186.006, 146.898 186.152 Q 146.532 186.291, 146.133 186.291 Q 145.629 186.291, 145.23 186.071 Q 144.832 185.851, 144.612 185.453 Q 144.392 185.054, 144.392 184.55 Q 144.392 183.988, 144.636 183.557 Q 144.889 183.118, 145.328 182.874 Q 145.767 182.63, 146.328 182.63 M 145.206 184.541 Q 145.206 185.054, 145.491 185.347 Q 145.775 185.64, 146.28 185.64 Q 146.629 185.64, 146.971 185.501 Q 147.321 185.355, 147.565 185.111 Q 147.532 184.159, 147.231 183.728 Q 146.93 183.297, 146.32 183.297 Q 146.011 183.297, 145.751 183.459 Q 145.499 183.622, 145.352 183.907 Q 145.206 184.192, 145.206 184.541 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 166.466 214.628 Q 166.678 214.083, 167.182 213.782 Q 167.686 213.473, 168.386 213.473 Q 169.256 213.473, 169.745 213.945 Q 170.233 214.417, 170.233 215.255 Q 170.233 216.109, 169.598 216.906 Q 168.972 217.703, 167.67 218.647 L 170.33 218.647 L 170.33 219.298 L 166.45 219.298 L 166.45 218.753 Q 167.524 217.988, 168.158 217.419 Q 168.801 216.849, 169.11 216.337 Q 169.419 215.824, 169.419 215.295 Q 169.419 214.742, 169.143 214.433 Q 168.866 214.124, 168.386 214.124 Q 167.922 214.124, 167.613 214.311 Q 167.304 214.498, 167.084 214.913 L 166.466 214.628 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 172.934 219.363 Q 171.876 219.363, 171.347 218.582 Q 170.827 217.801, 170.827 216.41 Q 170.827 215.019, 171.347 214.246 Q 171.868 213.473, 172.934 213.473 Q 173.999 213.473, 174.52 214.246 Q 175.041 215.019, 175.041 216.41 Q 175.041 217.801, 174.512 218.582 Q 173.991 219.363, 172.934 219.363 M 172.934 218.712 Q 173.56 218.712, 173.894 218.134 Q 174.227 217.549, 174.227 216.41 Q 174.227 215.279, 173.894 214.701 Q 173.56 214.124, 172.934 214.124 Q 172.315 214.124, 171.974 214.701 Q 171.64 215.279, 171.64 216.41 Q 171.64 217.549, 171.974 218.134 Q 172.315 218.712, 172.934 218.712 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 226.821 203.31 Q 227.033 202.765, 227.537 202.464 Q 228.041 202.155, 228.741 202.155 Q 229.611 202.155, 230.1 202.627 Q 230.588 203.099, 230.588 203.937 Q 230.588 204.791, 229.953 205.588 Q 229.327 206.385, 228.025 207.329 L 230.685 207.329 L 230.685 207.98 L 226.805 207.98 L 226.805 207.435 Q 227.879 206.67, 228.513 206.101 Q 229.156 205.531, 229.465 205.019 Q 229.774 204.506, 229.774 203.977 Q 229.774 203.424, 229.498 203.115 Q 229.221 202.806, 228.741 202.806 Q 228.277 202.806, 227.968 202.993 Q 227.659 203.18, 227.439 203.595 L 226.821 203.31 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 231.442 207.329 L 232.703 207.329 L 232.703 203.026 L 231.312 203.457 L 231.125 202.977 L 232.89 202.188 L 233.468 202.285 L 233.468 207.329 L 234.598 207.329 L 234.598 207.98 L 231.442 207.98 L 231.442 207.329 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 155.405 264.555 Q 155.616 264.01, 156.12 263.709 Q 156.625 263.4, 157.325 263.4 Q 158.195 263.4, 158.683 263.872 Q 159.171 264.344, 159.171 265.182 Q 159.171 266.036, 158.537 266.833 Q 157.91 267.63, 156.609 268.574 L 159.269 268.574 L 159.269 269.225 L 155.388 269.225 L 155.388 268.68 Q 156.462 267.915, 157.097 267.346 Q 157.739 266.776, 158.049 266.264 Q 158.358 265.751, 158.358 265.222 Q 158.358 264.669, 158.081 264.36 Q 157.804 264.051, 157.325 264.051 Q 156.861 264.051, 156.552 264.238 Q 156.243 264.425, 156.023 264.84 L 155.405 264.555 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 159.692 264.555 Q 159.903 264.01, 160.408 263.709 Q 160.912 263.4, 161.612 263.4 Q 162.482 263.4, 162.97 263.872 Q 163.459 264.344, 163.459 265.182 Q 163.459 266.036, 162.824 266.833 Q 162.198 267.63, 160.896 268.574 L 163.556 268.574 L 163.556 269.225 L 159.676 269.225 L 159.676 268.68 Q 160.75 267.915, 161.384 267.346 Q 162.027 266.776, 162.336 266.264 Q 162.645 265.751, 162.645 265.222 Q 162.645 264.669, 162.368 264.36 Q 162.092 264.051, 161.612 264.051 Q 161.148 264.051, 160.839 264.238 Q 160.53 264.425, 160.31 264.84 L 159.692 264.555 \" fill=\"#000000\"/>\n",
"</svg>"
],
"text/plain": [
"<IPython.core.display.SVG object>"
]
},
"execution_count": 11,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"draw(mol)"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"If you do specify the bond stereochemistry, the double bond is marked as `E` both in the data structures and in the drawing:"
]
},
{
"cell_type": "code",
"execution_count": 12,
"metadata": {},
"outputs": [],
"source": [
"mol_stereo = Chem.MolFromSmiles(\"CC(C)(C1=CC(=C(C(=C1)Br)O)Br)/C(=C/C(C(=O)O)Br)/CC(=O)O\")"
]
},
{
"cell_type": "code",
"execution_count": 13,
"metadata": {},
"outputs": [],
"source": [
"b_stereo = mol_stereo.GetBondBetweenAtoms(*mol_stereo.GetSubstructMatch(q)[:2])"
]
},
{
"cell_type": "code",
"execution_count": 14,
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"rdkit.Chem.rdchem.BondType.DOUBLE"
]
},
"execution_count": 14,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"b_stereo.GetBondType()"
]
},
{
"cell_type": "code",
"execution_count": 15,
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"rdkit.Chem.rdchem.BondStereo.STEREOE"
]
},
"execution_count": 15,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"b_stereo.GetStereo()"
]
},
{
"cell_type": "code",
"execution_count": 16,
"metadata": {},
"outputs": [
{
"data": {
"image/svg+xml": [
"<svg baseProfile=\"full\" height=\"300px\" version=\"1.1\" viewBox=\"0 0 400 300\" width=\"400px\" xml:space=\"preserve\" xmlns=\"http://www.w3.org/2000/svg\" xmlns:rdkit=\"http://www.rdkit.org/xml\" xmlns:xlink=\"http://www.w3.org/1999/xlink\">\n",
"<!-- END OF HEADER -->\n",
"<rect height=\"300\" style=\"opacity:1.0;fill:#FFFFFF;stroke:none\" width=\"400\" x=\"0\" y=\"0\"> </rect>\n",
"<path class=\"bond-0\" d=\"M 185.636,178.322 L 193.181,138.351\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-1\" d=\"M 193.181,138.351 L 200.726,98.3801\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-2\" d=\"M 193.181,138.351 L 153.21,130.806\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-11\" d=\"M 193.181,138.351 L 233.152,145.896\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-3\" d=\"M 153.21,130.806 L 126.69,161.649\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-3\" d=\"M 143.063,130.128 L 124.5,151.719\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-22\" d=\"M 153.21,130.806 L 139.759,92.4174\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-4\" d=\"M 126.69,161.649 L 86.7193,154.104\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-5\" d=\"M 86.7193,154.104 L 73.2682,115.715\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-5\" d=\"M 92.3794,145.655 L 82.9636,118.783\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-10\" d=\"M 86.7193,154.104 L 75.0788,167.642\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-10\" d=\"M 75.0788,167.642 L 63.4382,181.18\" style=\"fill:none;fill-rule:evenodd;stroke:#7F4C19;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-6\" d=\"M 73.2682,115.715 L 99.788,84.8722\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-9\" d=\"M 73.2682,115.715 L 56.4352,112.538\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-9\" d=\"M 56.4352,112.538 L 39.6022,109.36\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-7\" d=\"M 99.788,84.8722 L 139.759,92.4174\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-7\" d=\"M 104.275,93.9981 L 132.254,99.2798\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-8\" d=\"M 99.788,84.8722 L 94.2497,69.0664\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-8\" d=\"M 94.2497,69.0664 L 88.7114,53.2605\" style=\"fill:none;fill-rule:evenodd;stroke:#7F4C19;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-12\" d=\"M 233.152,145.896 L 259.672,115.053\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-12\" d=\"M 230.961,135.966 L 249.525,114.375\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-18\" d=\"M 233.152,145.896 L 246.603,184.285\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-13\" d=\"M 259.672,115.053 L 299.643,122.598\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-14\" d=\"M 299.643,122.598 L 326.162,91.7549\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-17\" d=\"M 299.643,122.598 L 305.181,138.404\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-17\" d=\"M 305.181,138.404 L 310.719,154.21\" style=\"fill:none;fill-rule:evenodd;stroke:#7F4C19;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-15\" d=\"M 330.001,90.4098 L 324.506,74.726\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-15\" d=\"M 324.506,74.726 L 319.01,59.0422\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-15\" d=\"M 322.323,93.1001 L 316.828,77.4163\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-15\" d=\"M 316.828,77.4163 L 311.332,61.7325\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-16\" d=\"M 326.162,91.7549 L 342.995,94.9325\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-16\" d=\"M 342.995,94.9325 L 359.828,98.11\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-19\" d=\"M 246.603,184.285 L 220.083,215.128\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-20\" d=\"M 220.838,211.131 L 204.005,207.953\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-20\" d=\"M 204.005,207.953 L 187.172,204.776\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-20\" d=\"M 219.329,219.125 L 202.496,215.947\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-20\" d=\"M 202.496,215.947 L 185.663,212.77\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-21\" d=\"M 220.083,215.128 L 225.61,230.901\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"bond-21\" d=\"M 225.61,230.901 L 231.137,246.674\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2.0px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
"<path class=\"atom-9\" d=\"M 88.0209 46.1909 Q 89.1273 46.5, 89.6805 47.1834 Q 90.25 47.8505, 90.25 48.843 Q 90.25 50.4376, 89.2249 51.3487 Q 88.2162 52.2436, 86.2962 52.2436 L 82.4238 52.2436 L 82.4238 40.7239 L 85.8244 40.7239 Q 87.7931 40.7239, 88.7856 41.5212 Q 89.7781 42.3185, 89.7781 43.7828 Q 89.7781 45.5238, 88.0209 46.1909 M 83.9695 42.0256 L 83.9695 45.6377 L 85.8244 45.6377 Q 86.9633 45.6377, 87.5491 45.1821 Q 88.1511 44.7103, 88.1511 43.7828 Q 88.1511 42.0256, 85.8244 42.0256 L 83.9695 42.0256 M 86.2962 50.9419 Q 87.4189 50.9419, 88.0209 50.405 Q 88.6229 49.8681, 88.6229 48.843 Q 88.6229 47.8993, 87.9558 47.4275 Q 87.305 46.9393, 86.0522 46.9393 L 83.9695 46.9393 L 83.9695 50.9419 L 86.2962 50.9419 \" fill=\"#7F4C19\"/>\n",
"<path class=\"atom-9\" d=\"M 92.8696 43.8804 L 93.0486 45.0357 Q 93.9272 43.734, 95.359 43.734 Q 95.8146 43.734, 96.4329 43.8967 L 96.1888 45.2635 Q 95.4892 45.1008, 95.0987 45.1008 Q 94.4153 45.1008, 93.9597 45.3774 Q 93.5204 45.6377, 93.1625 46.2722 L 93.1625 52.2436 L 91.633 52.2436 L 91.633 43.8804 L 92.8696 43.8804 \" fill=\"#7F4C19\"/>\n",
"<path class=\"atom-10\" d=\"M 18.1818 102.475 L 19.7438 102.475 L 19.7438 107.373 L 25.6338 107.373 L 25.6338 102.475 L 27.1958 102.475 L 27.1958 113.995 L 25.6338 113.995 L 25.6338 108.675 L 19.7438 108.675 L 19.7438 113.995 L 18.1818 113.995 L 18.1818 102.475 \" fill=\"#FF0000\"/>\n",
"<path class=\"atom-10\" d=\"M 28.0093 108.203 Q 28.0093 105.437, 29.3761 103.891 Q 30.7428 102.345, 33.2973 102.345 Q 35.8518 102.345, 37.2186 103.891 Q 38.5853 105.437, 38.5853 108.203 Q 38.5853 111.001, 37.2023 112.596 Q 35.8193 114.174, 33.2973 114.174 Q 30.7591 114.174, 29.3761 112.596 Q 28.0093 111.018, 28.0093 108.203 M 33.2973 112.872 Q 35.0546 112.872, 35.9983 111.701 Q 36.9582 110.513, 36.9582 108.203 Q 36.9582 105.941, 35.9983 104.802 Q 35.0546 103.647, 33.2973 103.647 Q 31.5401 103.647, 30.5801 104.786 Q 29.6364 105.925, 29.6364 108.203 Q 29.6364 110.529, 30.5801 111.701 Q 31.5401 112.872, 33.2973 112.872 \" fill=\"#FF0000\"/>\n",
"<path class=\"atom-11\" d=\"M 54.1875 184.654 Q 55.2939 184.963, 55.8471 185.647 Q 56.4166 186.314, 56.4166 187.306 Q 56.4166 188.901, 55.3916 189.812 Q 54.3828 190.707, 52.4628 190.707 L 48.5904 190.707 L 48.5904 179.187 L 51.991 179.187 Q 53.9597 179.187, 54.9523 179.984 Q 55.9448 180.782, 55.9448 182.246 Q 55.9448 183.987, 54.1875 184.654 M 50.1361 180.489 L 50.1361 184.101 L 51.991 184.101 Q 53.1299 184.101, 53.7157 183.645 Q 54.3177 183.174, 54.3177 182.246 Q 54.3177 180.489, 51.991 180.489 L 50.1361 180.489 M 52.4628 189.405 Q 53.5855 189.405, 54.1875 188.868 Q 54.7895 188.331, 54.7895 187.306 Q 54.7895 186.363, 54.1224 185.891 Q 53.4716 185.403, 52.2188 185.403 L 50.1361 185.403 L 50.1361 189.405 L 52.4628 189.405 \" fill=\"#7F4C19\"/>\n",
"<path class=\"atom-11\" d=\"M 59.0362 182.344 L 59.2152 183.499 Q 60.0938 182.197, 61.5256 182.197 Q 61.9812 182.197, 62.5995 182.36 L 62.3554 183.727 Q 61.6558 183.564, 61.2653 183.564 Q 60.5819 183.564, 60.1263 183.841 Q 59.687 184.101, 59.3291 184.736 L 59.3291 190.707 L 57.7996 190.707 L 57.7996 182.344 L 59.0362 182.344 \" fill=\"#7F4C19\"/>\n",
"<path class=\"atom-16\" d=\"M 307.423 53.3991 Q 307.423 50.6331, 308.79 49.0873 Q 310.157 47.5416, 312.711 47.5416 Q 315.266 47.5416, 316.632 49.0873 Q 317.999 50.6331, 317.999 53.3991 Q 317.999 56.1976, 316.616 57.7922 Q 315.233 59.3704, 312.711 59.3704 Q 310.173 59.3704, 308.79 57.7922 Q 307.423 56.2139, 307.423 53.3991 M 312.711 58.0688 Q 314.468 58.0688, 315.412 56.8973 Q 316.372 55.7095, 316.372 53.3991 Q 316.372 51.1374, 315.412 49.9985 Q 314.468 48.8433, 312.711 48.8433 Q 310.954 48.8433, 309.994 49.9822 Q 309.05 51.1212, 309.05 53.3991 Q 309.05 55.7258, 309.994 56.8973 Q 310.954 58.0688, 312.711 58.0688 \" fill=\"#FF0000\"/>\n",
"<path class=\"atom-17\" d=\"M 360.845 99.3327 Q 360.845 96.5667, 362.212 95.0209 Q 363.579 93.4752, 366.133 93.4752 Q 368.688 93.4752, 370.054 95.0209 Q 371.421 96.5667, 371.421 99.3327 Q 371.421 102.131, 370.038 103.726 Q 368.655 105.304, 366.133 105.304 Q 363.595 105.304, 362.212 103.726 Q 360.845 102.148, 360.845 99.3327 M 366.133 104.002 Q 367.89 104.002, 368.834 102.831 Q 369.794 101.643, 369.794 99.3327 Q 369.794 97.0711, 368.834 95.9321 Q 367.89 94.7769, 366.133 94.7769 Q 364.376 94.7769, 363.416 95.9158 Q 362.472 97.0548, 362.472 99.3327 Q 362.472 101.659, 363.416 102.831 Q 364.376 104.002, 366.133 104.002 \" fill=\"#FF0000\"/>\n",
"<path class=\"atom-17\" d=\"M 372.804 93.6054 L 374.366 93.6054 L 374.366 98.5029 L 380.256 98.5029 L 380.256 93.6054 L 381.818 93.6054 L 381.818 105.125 L 380.256 105.125 L 380.256 99.8045 L 374.366 99.8045 L 374.366 105.125 L 372.804 105.125 L 372.804 93.6054 \" fill=\"#FF0000\"/>\n",
"<path class=\"atom-18\" d=\"M 314.778 160.694 Q 315.884 161.003, 316.437 161.686 Q 317.007 162.353, 317.007 163.346 Q 317.007 164.94, 315.982 165.852 Q 314.973 166.746, 313.053 166.746 L 309.181 166.746 L 309.181 155.227 L 312.581 155.227 Q 314.55 155.227, 315.542 156.024 Q 316.535 156.821, 316.535 158.286 Q 316.535 160.027, 314.778 160.694 M 310.726 156.528 L 310.726 160.141 L 312.581 160.141 Q 313.72 160.141, 314.306 159.685 Q 314.908 159.213, 314.908 158.286 Q 314.908 156.528, 312.581 156.528 L 310.726 156.528 M 313.053 165.445 Q 314.176 165.445, 314.778 164.908 Q 315.38 164.371, 315.38 163.346 Q 315.38 162.402, 314.713 161.93 Q 314.062 161.442, 312.809 161.442 L 310.726 161.442 L 310.726 165.445 L 313.053 165.445 \" fill=\"#7F4C19\"/>\n",
"<path class=\"atom-18\" d=\"M 319.626 158.383 L 319.805 159.538 Q 320.684 158.237, 322.116 158.237 Q 322.571 158.237, 323.19 158.4 L 322.946 159.766 Q 322.246 159.604, 321.855 159.604 Q 321.172 159.604, 320.716 159.88 Q 320.277 160.141, 319.919 160.775 L 319.919 166.746 L 318.39 166.746 L 318.39 158.383 L 319.626 158.383 \" fill=\"#7F4C19\"/>\n",
"<path class=\"atom-21\" d=\"M 174.824 207.615 Q 174.824 204.849, 176.191 203.303 Q 177.558 201.758, 180.112 201.758 Q 182.667 201.758, 184.034 203.303 Q 185.4 204.849, 185.4 207.615 Q 185.4 210.414, 184.017 212.008 Q 182.634 213.587, 180.112 213.587 Q 177.574 213.587, 176.191 212.008 Q 174.824 210.43, 174.824 207.615 M 180.112 212.285 Q 181.87 212.285, 182.813 211.113 Q 183.773 209.926, 183.773 207.615 Q 183.773 205.354, 182.813 204.215 Q 181.87 203.059, 180.112 203.059 Q 178.355 203.059, 177.395 204.198 Q 176.451 205.337, 176.451 207.615 Q 176.451 209.942, 177.395 211.113 Q 178.355 212.285, 180.112 212.285 \" fill=\"#FF0000\"/>\n",
"<path class=\"atom-22\" d=\"M 228.246 253.549 Q 228.246 250.783, 229.613 249.237 Q 230.98 247.691, 233.534 247.691 Q 236.089 247.691, 237.456 249.237 Q 238.822 250.783, 238.822 253.549 Q 238.822 256.347, 237.439 257.942 Q 236.056 259.52, 233.534 259.52 Q 230.996 259.52, 229.613 257.942 Q 228.246 256.364, 228.246 253.549 M 233.534 258.218 Q 235.292 258.218, 236.235 257.047 Q 237.195 255.859, 237.195 253.549 Q 237.195 251.287, 236.235 250.148 Q 235.292 248.993, 233.534 248.993 Q 231.777 248.993, 230.817 250.132 Q 229.873 251.271, 229.873 253.549 Q 229.873 255.875, 230.817 257.047 Q 231.777 258.218, 233.534 258.218 \" fill=\"#FF0000\"/>\n",
"<path class=\"atom-22\" d=\"M 240.205 247.821 L 241.767 247.821 L 241.767 252.719 L 247.657 252.719 L 247.657 247.821 L 249.219 247.821 L 249.219 259.341 L 247.657 259.341 L 247.657 254.021 L 241.767 254.021 L 241.767 259.341 L 240.205 259.341 L 240.205 247.821 \" fill=\"#FF0000\"/>\n",
"<path class=\"note\" d=\"M 192.298 182.557 Q 191.24 182.557, 190.711 181.776 Q 190.19 180.995, 190.19 179.604 Q 190.19 178.213, 190.711 177.44 Q 191.232 176.667, 192.298 176.667 Q 193.363 176.667, 193.884 177.44 Q 194.405 178.213, 194.405 179.604 Q 194.405 180.995, 193.876 181.776 Q 193.355 182.557, 192.298 182.557 M 192.298 181.906 Q 192.924 181.906, 193.258 181.329 Q 193.591 180.743, 193.591 179.604 Q 193.591 178.473, 193.258 177.895 Q 192.924 177.318, 192.298 177.318 Q 191.679 177.318, 191.338 177.895 Q 191.004 178.473, 191.004 179.604 Q 191.004 180.743, 191.338 181.329 Q 191.679 181.906, 192.298 181.906 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 186.161 144.418 L 187.422 144.418 L 187.422 140.114 L 186.031 140.545 L 185.844 140.065 L 187.61 139.276 L 188.187 139.374 L 188.187 144.418 L 189.318 144.418 L 189.318 145.069 L 186.161 145.069 L 186.161 144.418 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 192.14 95.3653 Q 192.352 94.8202, 192.856 94.5192 Q 193.361 94.2101, 194.06 94.2101 Q 194.931 94.2101, 195.419 94.6819 Q 195.907 95.1538, 195.907 95.9917 Q 195.907 96.846, 195.272 97.6432 Q 194.646 98.4405, 193.344 99.3842 L 196.005 99.3842 L 196.005 100.035 L 192.124 100.035 L 192.124 99.4899 Q 193.198 98.7252, 193.832 98.1557 Q 194.475 97.5863, 194.784 97.0737 Q 195.093 96.5612, 195.093 96.0324 Q 195.093 95.4792, 194.817 95.1701 Q 194.54 94.8609, 194.06 94.8609 Q 193.597 94.8609, 193.287 95.048 Q 192.978 95.2352, 192.759 95.6501 L 192.14 95.3653 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 156.282 137.082 Q 156.843 137.245, 157.111 137.611 Q 157.388 137.969, 157.388 138.538 Q 157.388 139.026, 157.144 139.409 Q 156.9 139.783, 156.453 139.994 Q 156.005 140.198, 155.419 140.198 Q 154.801 140.198, 154.337 139.986 Q 153.882 139.767, 153.516 139.327 L 153.979 138.855 Q 154.337 139.246, 154.638 139.4 Q 154.939 139.547, 155.419 139.547 Q 155.94 139.547, 156.257 139.27 Q 156.575 138.986, 156.575 138.53 Q 156.575 137.944, 156.241 137.684 Q 155.916 137.415, 155.208 137.415 L 154.793 137.415 L 154.793 136.83 L 155.159 136.83 Q 155.785 136.821, 156.119 136.553 Q 156.453 136.276, 156.453 135.764 Q 156.453 135.39, 156.176 135.17 Q 155.899 134.942, 155.427 134.942 Q 154.947 134.942, 154.646 135.113 Q 154.354 135.284, 154.126 135.715 L 153.564 135.414 Q 153.768 134.934, 154.256 134.617 Q 154.744 134.291, 155.427 134.291 Q 156.274 134.291, 156.77 134.69 Q 157.266 135.089, 157.266 135.764 Q 157.266 136.228, 157.014 136.561 Q 156.762 136.895, 156.282 137.082 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 130.457 168.95 L 131.149 168.95 L 131.149 169.601 L 130.457 169.601 L 130.457 170.927 L 129.693 170.927 L 129.693 169.601 L 126.715 169.601 L 126.715 169.088 L 129.237 165.167 L 130.457 165.167 L 130.457 168.95 M 127.659 168.95 L 129.693 168.95 L 129.693 165.688 L 127.659 168.95 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 80.1999 152.122 Q 80.7043 152.122, 81.1192 152.342 Q 81.5341 152.553, 81.77 152.96 Q 82.0059 153.359, 82.0059 153.904 Q 82.0059 154.498, 81.7131 154.929 Q 81.4283 155.352, 80.9565 155.572 Q 80.4846 155.791, 79.9477 155.791 Q 79.4189 155.791, 78.9308 155.596 Q 78.4427 155.401, 78.1091 155.027 L 78.5972 154.522 Q 78.8657 154.815, 79.2318 154.978 Q 79.5979 155.132, 79.9721 155.132 Q 80.4846 155.132, 80.8345 154.815 Q 81.1924 154.498, 81.1924 153.92 Q 81.1924 153.31, 80.8345 153.025 Q 80.4846 152.732, 79.9233 152.732 Q 79.4189 152.732, 78.8576 152.952 L 78.4101 152.741 L 78.6867 149.966 L 81.648 149.966 L 81.5666 150.617 L 79.3538 150.617 L 79.183 152.326 Q 79.6955 152.122, 80.1999 152.122 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 71.2826 108.634 Q 71.787 108.634, 72.1857 108.854 Q 72.5843 109.073, 72.8039 109.472 Q 73.0236 109.871, 73.0236 110.375 Q 73.0236 110.936, 72.7714 111.376 Q 72.5273 111.807, 72.088 112.051 Q 71.6487 112.295, 71.0874 112.295 Q 70.0623 112.295, 69.5417 111.603 Q 69.0291 110.904, 69.0291 109.521 Q 69.0291 107.991, 69.6637 107.202 Q 70.3064 106.405, 71.5348 106.405 Q 71.8928 106.405, 72.1938 106.486 Q 72.5029 106.568, 72.7958 106.738 L 72.4785 107.283 Q 72.0555 107.056, 71.543 107.056 Q 70.7294 107.056, 70.3145 107.584 Q 69.8996 108.105, 69.8508 109.187 Q 70.1437 108.919, 70.5098 108.78 Q 70.884 108.634, 71.2826 108.634 M 71.0955 111.628 Q 71.4047 111.628, 71.6569 111.465 Q 71.9172 111.302, 72.0636 111.018 Q 72.2101 110.733, 72.2101 110.383 Q 72.2101 109.871, 71.9253 109.578 Q 71.6406 109.285, 71.1362 109.285 Q 70.7864 109.285, 70.4366 109.431 Q 70.0949 109.57, 69.8508 109.814 Q 69.8834 110.765, 70.1844 111.197 Q 70.4854 111.628, 71.0955 111.628 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 105.314 77.5026 L 102.296 77.5026 L 102.296 76.8517 L 106.12 76.8517 L 106.12 77.4293 L 103.793 82.6116 L 103.012 82.6116 L 105.314 77.5026 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 145.082 87.1385 Q 145.611 87.3663, 145.912 87.708 Q 146.213 88.0416, 146.213 88.611 Q 146.213 89.0992, 145.961 89.4815 Q 145.708 89.8558, 145.253 90.0673 Q 144.805 90.2707, 144.211 90.2707 Q 143.251 90.2707, 142.698 89.8313 Q 142.145 89.3839, 142.145 88.611 Q 142.145 88.1392, 142.389 87.7894 Q 142.633 87.4314, 143.138 87.1629 Q 142.763 86.9514, 142.56 86.6423 Q 142.357 86.325, 142.357 85.8369 Q 142.357 85.1616, 142.845 84.763 Q 143.341 84.3644, 144.179 84.3644 Q 145.017 84.3644, 145.505 84.763 Q 146.001 85.1616, 146.001 85.8369 Q 146.001 86.2599, 145.765 86.5772 Q 145.537 86.8863, 145.082 87.1385 M 144.179 84.9745 Q 143.699 84.9745, 143.43 85.2023 Q 143.17 85.4301, 143.17 85.8369 Q 143.17 86.1379, 143.349 86.3413 Q 143.528 86.5365, 143.78 86.6504 Q 144.041 86.7643, 144.537 86.9352 Q 144.887 86.6911, 145.033 86.4308 Q 145.188 86.1704, 145.188 85.8369 Q 145.188 85.4301, 144.919 85.2023 Q 144.659 84.9745, 144.179 84.9745 M 144.211 89.6605 Q 144.748 89.6605, 145.074 89.3758 Q 145.399 89.0829, 145.399 88.6029 Q 145.399 88.2938, 145.228 88.0985 Q 145.057 87.9033, 144.797 87.7894 Q 144.545 87.6755, 144.089 87.529 L 143.723 87.407 Q 143.317 87.6511, 143.138 87.9439 Q 142.959 88.2287, 142.959 88.6029 Q 142.959 89.0829, 143.3 89.3758 Q 143.642 89.6605, 144.211 89.6605 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 81.7922 30.7752 Q 82.8172 30.7752, 83.3298 31.4748 Q 83.8504 32.1663, 83.8504 33.5493 Q 83.8504 35.0788, 83.2077 35.876 Q 82.5732 36.6652, 81.3447 36.6652 Q 80.9868 36.6652, 80.6776 36.5838 Q 80.3766 36.5025, 80.0837 36.3316 L 80.401 35.7865 Q 80.8241 36.0143, 81.3366 36.0143 Q 82.1501 36.0143, 82.565 35.4937 Q 82.9799 34.9649, 83.0287 33.8829 Q 82.7359 34.1513, 82.3616 34.2978 Q 81.9956 34.4361, 81.5969 34.4361 Q 81.0925 34.4361, 80.6939 34.2164 Q 80.2953 33.9968, 80.0756 33.5981 Q 79.856 33.1995, 79.856 32.6951 Q 79.856 32.1338, 80.1 31.7026 Q 80.3522 31.2633, 80.7915 31.0192 Q 81.2308 30.7752, 81.7922 30.7752 M 80.6695 32.687 Q 80.6695 33.1995, 80.9542 33.4924 Q 81.239 33.7853, 81.7434 33.7853 Q 82.0932 33.7853, 82.4349 33.6469 Q 82.7847 33.5005, 83.0287 33.2565 Q 82.9962 32.3046, 82.6952 31.8734 Q 82.3942 31.4423, 81.784 31.4423 Q 81.4749 31.4423, 81.2146 31.605 Q 80.9624 31.7677, 80.8159 32.0524 Q 80.6695 32.3372, 80.6695 32.687 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 18.9457 120.713 L 20.2067 120.713 L 20.2067 116.409 L 18.8155 116.84 L 18.6284 116.36 L 20.3938 115.571 L 20.9714 115.669 L 20.9714 120.713 L 22.1022 120.713 L 22.1022 121.364 L 18.9457 121.364 L 18.9457 120.713 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 24.7055 121.429 Q 23.6479 121.429, 23.1191 120.648 Q 22.5985 119.867, 22.5985 118.476 Q 22.5985 117.085, 23.1191 116.312 Q 23.6398 115.539, 24.7055 115.539 Q 25.7713 115.539, 26.2919 116.312 Q 26.8126 117.085, 26.8126 118.476 Q 26.8126 119.867, 26.2838 120.648 Q 25.7631 121.429, 24.7055 121.429 M 24.7055 120.778 Q 25.3319 120.778, 25.6655 120.2 Q 25.999 119.615, 25.999 118.476 Q 25.999 117.345, 25.6655 116.767 Q 25.3319 116.19, 24.7055 116.19 Q 24.0872 116.19, 23.7455 116.767 Q 23.412 117.345, 23.412 118.476 Q 23.412 119.615, 23.7455 120.2 Q 24.0872 120.778, 24.7055 120.778 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 46.2466 197.473 L 47.5075 197.473 L 47.5075 193.17 L 46.1164 193.601 L 45.9293 193.121 L 47.6947 192.332 L 48.2723 192.43 L 48.2723 197.473 L 49.4031 197.473 L 49.4031 198.124 L 46.2466 198.124 L 46.2466 197.473 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 50.1597 197.473 L 51.4206 197.473 L 51.4206 193.17 L 50.0295 193.601 L 49.8424 193.121 L 51.6078 192.332 L 52.1854 192.43 L 52.1854 197.473 L 53.3162 197.473 L 53.3162 198.124 L 50.1597 198.124 L 50.1597 197.473 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 223.432 153.298 L 224.693 153.298 L 224.693 148.995 L 223.302 149.426 L 223.114 148.946 L 224.88 148.157 L 225.457 148.254 L 225.457 153.298 L 226.588 153.298 L 226.588 153.949 L 223.432 153.949 L 223.432 153.298 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 227.011 149.279 Q 227.223 148.734, 227.727 148.433 Q 228.232 148.124, 228.931 148.124 Q 229.802 148.124, 230.29 148.596 Q 230.778 149.068, 230.778 149.906 Q 230.778 150.76, 230.143 151.557 Q 229.517 152.355, 228.215 153.298 L 230.876 153.298 L 230.876 153.949 L 226.995 153.949 L 226.995 153.404 Q 228.069 152.639, 228.703 152.07 Q 229.346 151.5, 229.655 150.988 Q 229.964 150.475, 229.964 149.947 Q 229.964 149.393, 229.688 149.084 Q 229.411 148.775, 228.931 148.775 Q 228.467 148.775, 228.158 148.962 Q 227.849 149.149, 227.63 149.564 L 227.011 149.279 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 252.166 110.917 L 253.427 110.917 L 253.427 106.613 L 252.036 107.044 L 251.849 106.564 L 253.614 105.775 L 254.192 105.873 L 254.192 110.917 L 255.323 110.917 L 255.323 111.567 L 252.166 111.567 L 252.166 110.917 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 258.43 108.533 Q 258.992 108.696, 259.26 109.062 Q 259.537 109.42, 259.537 109.989 Q 259.537 110.477, 259.293 110.86 Q 259.049 111.234, 258.601 111.445 Q 258.154 111.649, 257.568 111.649 Q 256.95 111.649, 256.486 111.437 Q 256.03 111.218, 255.664 110.778 L 256.128 110.306 Q 256.486 110.697, 256.787 110.851 Q 257.088 110.998, 257.568 110.998 Q 258.089 110.998, 258.406 110.721 Q 258.723 110.437, 258.723 109.981 Q 258.723 109.395, 258.39 109.135 Q 258.064 108.866, 257.357 108.866 L 256.942 108.866 L 256.942 108.281 L 257.308 108.281 Q 257.934 108.273, 258.268 108.004 Q 258.601 107.727, 258.601 107.215 Q 258.601 106.841, 258.325 106.621 Q 258.048 106.393, 257.576 106.393 Q 257.096 106.393, 256.795 106.564 Q 256.502 106.735, 256.275 107.166 L 255.713 106.865 Q 255.917 106.385, 256.405 106.068 Q 256.893 105.742, 257.576 105.742 Q 258.422 105.742, 258.919 106.141 Q 259.415 106.54, 259.415 107.215 Q 259.415 107.679, 259.163 108.012 Q 258.91 108.346, 258.43 108.533 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 291.905 118.445 L 293.166 118.445 L 293.166 114.142 L 291.775 114.573 L 291.588 114.093 L 293.353 113.304 L 293.931 113.402 L 293.931 118.445 L 295.062 118.445 L 295.062 119.096 L 291.905 119.096 L 291.905 118.445 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 299.048 117.119 L 299.74 117.119 L 299.74 117.77 L 299.048 117.77 L 299.048 119.096 L 298.283 119.096 L 298.283 117.77 L 295.306 117.77 L 295.306 117.258 L 297.828 113.336 L 299.048 113.336 L 299.048 117.119 M 296.25 117.119 L 298.283 117.119 L 298.283 113.857 L 296.25 117.119 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 307.547 91.4852 L 308.808 91.4852 L 308.808 87.1816 L 307.416 87.6128 L 307.229 87.1328 L 308.995 86.3437 L 309.572 86.4413 L 309.572 91.4852 L 310.703 91.4852 L 310.703 92.1361 L 307.547 92.1361 L 307.547 91.4852 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 313.168 88.5321 Q 313.673 88.5321, 314.087 88.7518 Q 314.502 88.9633, 314.738 89.37 Q 314.974 89.7687, 314.974 90.3137 Q 314.974 90.9076, 314.681 91.3388 Q 314.397 91.7618, 313.925 91.9815 Q 313.453 92.2012, 312.916 92.2012 Q 312.387 92.2012, 311.899 92.0059 Q 311.411 91.8107, 311.077 91.4364 L 311.565 90.932 Q 311.834 91.2249, 312.2 91.3876 Q 312.566 91.5422, 312.94 91.5422 Q 313.453 91.5422, 313.803 91.2249 Q 314.161 90.9076, 314.161 90.33 Q 314.161 89.7199, 313.803 89.4351 Q 313.453 89.1423, 312.892 89.1423 Q 312.387 89.1423, 311.826 89.3619 L 311.378 89.1504 L 311.655 86.3762 L 314.616 86.3762 L 314.535 87.0271 L 312.322 87.0271 L 312.151 88.7355 Q 312.664 88.5321, 313.168 88.5321 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 302.797 42.832 L 304.058 42.832 L 304.058 38.5284 L 302.667 38.9596 L 302.48 38.4796 L 304.245 37.6905 L 304.823 37.7881 L 304.823 42.832 L 305.954 42.832 L 305.954 43.4829 L 302.797 43.4829 L 302.797 42.832 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 308.76 39.887 Q 309.265 39.887, 309.663 40.1067 Q 310.062 40.3263, 310.282 40.725 Q 310.501 41.1236, 310.501 41.628 Q 310.501 42.1893, 310.249 42.6286 Q 310.005 43.0598, 309.566 43.3039 Q 309.126 43.5479, 308.565 43.5479 Q 307.54 43.5479, 307.019 42.8564 Q 306.507 42.1568, 306.507 40.7738 Q 306.507 39.2443, 307.141 38.4552 Q 307.784 37.6579, 309.013 37.6579 Q 309.37 37.6579, 309.672 37.7393 Q 309.981 37.8206, 310.274 37.9915 L 309.956 38.5366 Q 309.533 38.3088, 309.021 38.3088 Q 308.207 38.3088, 307.792 38.8376 Q 307.377 39.3582, 307.329 40.4402 Q 307.621 40.1718, 307.987 40.0335 Q 308.362 39.887, 308.76 39.887 M 308.573 42.8808 Q 308.882 42.8808, 309.135 42.7181 Q 309.395 42.5554, 309.541 42.2707 Q 309.688 41.9859, 309.688 41.6361 Q 309.688 41.1236, 309.403 40.8307 Q 309.118 40.5379, 308.614 40.5379 Q 308.264 40.5379, 307.914 40.6843 Q 307.573 40.8226, 307.329 41.0667 Q 307.361 42.0185, 307.662 42.4497 Q 307.963 42.8808, 308.573 42.8808 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 369.832 91.2644 L 371.093 91.2644 L 371.093 86.9608 L 369.701 87.392 L 369.514 86.912 L 371.28 86.1229 L 371.857 86.2205 L 371.857 91.2644 L 372.988 91.2644 L 372.988 91.9153 L 369.832 91.9153 L 369.832 91.2644 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 376.153 86.8063 L 373.135 86.8063 L 373.135 86.1554 L 376.958 86.1554 L 376.958 86.733 L 374.631 91.9153 L 373.85 91.9153 L 376.153 86.8063 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 312.135 176.044 L 313.396 176.044 L 313.396 171.741 L 312.005 172.172 L 311.818 171.692 L 313.583 170.903 L 314.16 171 L 314.16 176.044 L 315.291 176.044 L 315.291 176.695 L 312.135 176.695 L 312.135 176.044 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 318.733 173.644 Q 319.261 173.872, 319.562 174.214 Q 319.863 174.547, 319.863 175.117 Q 319.863 175.605, 319.611 175.987 Q 319.359 176.362, 318.903 176.573 Q 318.456 176.777, 317.862 176.777 Q 316.902 176.777, 316.349 176.337 Q 315.796 175.89, 315.796 175.117 Q 315.796 174.645, 316.04 174.295 Q 316.284 173.937, 316.788 173.669 Q 316.414 173.457, 316.211 173.148 Q 316.007 172.831, 316.007 172.343 Q 316.007 171.668, 316.495 171.269 Q 316.992 170.87, 317.83 170.87 Q 318.667 170.87, 319.156 171.269 Q 319.652 171.668, 319.652 172.343 Q 319.652 172.766, 319.416 173.083 Q 319.188 173.392, 318.733 173.644 M 317.83 171.48 Q 317.35 171.48, 317.081 171.708 Q 316.821 171.936, 316.821 172.343 Q 316.821 172.644, 317 172.847 Q 317.179 173.042, 317.431 173.156 Q 317.691 173.27, 318.187 173.441 Q 318.537 173.197, 318.684 172.937 Q 318.838 172.676, 318.838 172.343 Q 318.838 171.936, 318.57 171.708 Q 318.31 171.48, 317.83 171.48 M 317.862 176.166 Q 318.399 176.166, 318.724 175.882 Q 319.05 175.589, 319.05 175.109 Q 319.05 174.8, 318.879 174.604 Q 318.708 174.409, 318.448 174.295 Q 318.196 174.181, 317.74 174.035 L 317.374 173.913 Q 316.967 174.157, 316.788 174.45 Q 316.609 174.735, 316.609 175.109 Q 316.609 175.589, 316.951 175.882 Q 317.293 176.166, 317.862 176.166 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 234.564 185.289 L 235.825 185.289 L 235.825 180.985 L 234.433 181.416 L 234.246 180.936 L 236.012 180.147 L 236.589 180.245 L 236.589 185.289 L 237.72 185.289 L 237.72 185.94 L 234.564 185.94 L 234.564 185.289 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 240.104 180.115 Q 241.129 180.115, 241.641 180.814 Q 242.162 181.506, 242.162 182.889 Q 242.162 184.418, 241.519 185.215 Q 240.885 186.005, 239.656 186.005 Q 239.298 186.005, 238.989 185.923 Q 238.688 185.842, 238.395 185.671 L 238.713 185.126 Q 239.136 185.354, 239.648 185.354 Q 240.462 185.354, 240.877 184.833 Q 241.292 184.304, 241.34 183.222 Q 241.048 183.491, 240.673 183.637 Q 240.307 183.776, 239.909 183.776 Q 239.404 183.776, 239.006 183.556 Q 238.607 183.336, 238.387 182.938 Q 238.168 182.539, 238.168 182.035 Q 238.168 181.473, 238.412 181.042 Q 238.664 180.603, 239.103 180.359 Q 239.543 180.115, 240.104 180.115 M 238.981 182.026 Q 238.981 182.539, 239.266 182.832 Q 239.551 183.125, 240.055 183.125 Q 240.405 183.125, 240.747 182.986 Q 241.096 182.84, 241.34 182.596 Q 241.308 181.644, 241.007 181.213 Q 240.706 180.782, 240.096 180.782 Q 239.787 180.782, 239.526 180.944 Q 239.274 181.107, 239.128 181.392 Q 238.981 181.677, 238.981 182.026 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 209.38 200.574 Q 209.591 200.029, 210.096 199.728 Q 210.6 199.419, 211.3 199.419 Q 212.17 199.419, 212.659 199.891 Q 213.147 200.363, 213.147 201.201 Q 213.147 202.055, 212.512 202.852 Q 211.886 203.65, 210.584 204.593 L 213.244 204.593 L 213.244 205.244 L 209.364 205.244 L 209.364 204.699 Q 210.438 203.934, 211.072 203.365 Q 211.715 202.795, 212.024 202.283 Q 212.333 201.77, 212.333 201.242 Q 212.333 200.688, 212.057 200.379 Q 211.78 200.07, 211.3 200.07 Q 210.836 200.07, 210.527 200.257 Q 210.218 200.444, 209.998 200.859 L 209.38 200.574 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 215.848 205.309 Q 214.79 205.309, 214.261 204.528 Q 213.741 203.747, 213.741 202.356 Q 213.741 200.965, 214.261 200.192 Q 214.782 199.419, 215.848 199.419 Q 216.913 199.419, 217.434 200.192 Q 217.955 200.965, 217.955 202.356 Q 217.955 203.747, 217.426 204.528 Q 216.905 205.309, 215.848 205.309 M 215.848 204.658 Q 216.474 204.658, 216.808 204.081 Q 217.141 203.495, 217.141 202.356 Q 217.141 201.225, 216.808 200.648 Q 216.474 200.07, 215.848 200.07 Q 215.229 200.07, 214.888 200.648 Q 214.554 201.225, 214.554 202.356 Q 214.554 203.495, 214.888 204.081 Q 215.229 204.658, 215.848 204.658 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 160.968 203.31 Q 161.179 202.765, 161.684 202.464 Q 162.188 202.155, 162.888 202.155 Q 163.758 202.155, 164.246 202.627 Q 164.734 203.099, 164.734 203.937 Q 164.734 204.791, 164.1 205.588 Q 163.473 206.385, 162.172 207.329 L 164.832 207.329 L 164.832 207.98 L 160.952 207.98 L 160.952 207.435 Q 162.025 206.67, 162.66 206.101 Q 163.303 205.531, 163.612 205.019 Q 163.921 204.506, 163.921 203.977 Q 163.921 203.424, 163.644 203.115 Q 163.368 202.806, 162.888 202.806 Q 162.424 202.806, 162.115 202.993 Q 161.806 203.18, 161.586 203.595 L 160.968 203.31 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 165.589 207.329 L 166.85 207.329 L 166.85 203.026 L 165.458 203.457 L 165.271 202.977 L 167.037 202.188 L 167.614 202.285 L 167.614 207.329 L 168.745 207.329 L 168.745 207.98 L 165.589 207.98 L 165.589 207.329 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 232.01 264.555 Q 232.222 264.01, 232.726 263.709 Q 233.23 263.4, 233.93 263.4 Q 234.8 263.4, 235.289 263.872 Q 235.777 264.344, 235.777 265.182 Q 235.777 266.036, 235.142 266.833 Q 234.516 267.63, 233.214 268.574 L 235.874 268.574 L 235.874 269.225 L 231.994 269.225 L 231.994 268.68 Q 233.068 267.915, 233.702 267.346 Q 234.345 266.776, 234.654 266.264 Q 234.963 265.751, 234.963 265.222 Q 234.963 264.669, 234.687 264.36 Q 234.41 264.051, 233.93 264.051 Q 233.466 264.051, 233.157 264.238 Q 232.848 264.425, 232.628 264.84 L 232.01 264.555 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 236.297 264.555 Q 236.509 264.01, 237.013 263.709 Q 237.518 263.4, 238.217 263.4 Q 239.088 263.4, 239.576 263.872 Q 240.064 264.344, 240.064 265.182 Q 240.064 266.036, 239.429 266.833 Q 238.803 267.63, 237.501 268.574 L 240.162 268.574 L 240.162 269.225 L 236.281 269.225 L 236.281 268.68 Q 237.355 267.915, 237.99 267.346 Q 238.632 266.776, 238.941 266.264 Q 239.25 265.751, 239.25 265.222 Q 239.25 264.669, 238.974 264.36 Q 238.697 264.051, 238.217 264.051 Q 237.754 264.051, 237.444 264.238 Q 237.135 264.425, 236.916 264.84 L 236.297 264.555 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 247.275 136.682 Q 247.275 135.51, 247.608 134.558 Q 247.95 133.606, 248.609 132.557 L 249.065 132.85 Q 248.536 133.818, 248.267 134.697 Q 248.007 135.567, 248.007 136.682 Q 248.007 137.78, 248.267 138.65 Q 248.536 139.513, 249.065 140.513 L 248.609 140.806 Q 247.95 139.773, 247.608 138.821 Q 247.275 137.861, 247.275 136.682 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 249.756 133.24 L 253.181 133.24 L 253.181 133.899 L 250.529 133.899 L 250.529 135.648 L 252.913 135.648 L 252.913 136.315 L 250.529 136.315 L 250.529 138.325 L 253.271 138.325 L 253.271 139 L 249.756 139 L 249.756 133.24 \" fill=\"#000000\"/>\n",
"<path class=\"note\" d=\"M 255.264 136.682 Q 255.264 137.861, 254.922 138.821 Q 254.588 139.773, 253.929 140.806 L 253.474 140.513 Q 254.003 139.513, 254.263 138.65 Q 254.531 137.78, 254.531 136.682 Q 254.531 135.567, 254.263 134.697 Q 254.003 133.818, 253.474 132.85 L 253.929 132.557 Q 254.588 133.606, 254.922 134.558 Q 255.264 135.51, 255.264 136.682 \" fill=\"#000000\"/>\n",
"</svg>"
],
"text/plain": [
"<IPython.core.display.SVG object>"
]
},
"execution_count": 16,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"draw(mol_stereo)"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"Using the `==` operator to compare molecules is not a sensible thing to do. Even a copy of the molecule will return `False` as they are actually two different instances of the same structure:"
]
},
{
"cell_type": "code",
"execution_count": 17,
"metadata": {},
"outputs": [],
"source": [
"smi = Chem.MolFromSmiles('CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C(=CC(C(=O)O)Br)CC(=O)O')"
]
},
{
"cell_type": "code",
"execution_count": 18,
"metadata": {},
"outputs": [],
"source": [
"smi2 = Chem.Mol(smi)"
]
},
{
"cell_type": "code",
"execution_count": 19,
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"False"
]
},
"execution_count": 19,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"smi == smi2"
]
},
{
"cell_type": "code",
"execution_count": 20,
"metadata": {},
"outputs": [],
"source": [
"smi2 = Chem.MolFromSmiles('CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C(=CC(C(=O)O)Br)CC(=O)O')"
]
},
{
"cell_type": "code",
"execution_count": 21,
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"False"
]
},
"execution_count": 21,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"smi == smi2"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"For the same reason this fails (but it would fail even if molecules were actually the same):"
]
},
{
"cell_type": "code",
"execution_count": 22,
"metadata": {},
"outputs": [],
"source": [
"isosmi = Chem.MolFromSmiles('CC(C)(C1=CC(=C(C(=C1)Br)O)Br)/C(=C/C(C(=O)O)Br)/CC(=O)O')"
]
},
{
"cell_type": "code",
"execution_count": 23,
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"False"
]
},
"execution_count": 23,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"smi == isosmi"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"Comparing canonical SMILES is indeed a good way to assess identity between structures."
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"Regarding substructure matches, [as reported in the documentation](http://rdkit.org/docs/source/rdkit.Chem.rdchem.html?highlight=hassubstruct#rdkit.Chem.rdchem.Mol.HasSubstructMatch), by default they are not stereospecific; they will be if you specify the `useChirality` flag:"
]
},
{
"cell_type": "code",
"execution_count": 24,
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"True"
]
},
"execution_count": 24,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"smi.HasSubstructMatch(isosmi)"
]
},
{
"cell_type": "code",
"execution_count": 25,
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"False"
]
},
"execution_count": 25,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"smi.HasSubstructMatch(isosmi, useChirality=True)"
]
},
{
"cell_type": "code",
"execution_count": 26,
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"True"
]
},
"execution_count": 26,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"isosmi.HasSubstructMatch(smi)"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"This still correctly evaluates to `True` as the query does not specify any chirality."
]
},
{
"cell_type": "code",
"execution_count": 27,
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"True"
]
},
"execution_count": 27,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"isosmi.HasSubstructMatch(smi, useChirality=True)"
]
},
{
"cell_type": "code",
"execution_count": 28,
"metadata": {},
"outputs": [],
"source": [
"isosmi2 = Chem.MolFromSmiles('CC(C)(C1=CC(=C(C(=C1)Br)O)Br)\\\\C(=C/C(C(=O)O)Br)\\\\CC(=O)O')"
]
},
{
"cell_type": "code",
"execution_count": 29,
"metadata": {},
"outputs": [
{
"data": {
"image/png": "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\n",
"text/plain": [
"<rdkit.Chem.rdchem.Mol at 0x7fa6abe7ac10>"
]
},
"execution_count": 29,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"isosmi2"
]
},
{
"cell_type": "code",
"execution_count": 30,
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"True"
]
},
"execution_count": 30,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"isosmi.HasSubstructMatch(isosmi2)"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"It correctly evaluates to `False` when the query specifies opposite stereochemistry:"
]
},
{
"cell_type": "code",
"execution_count": 31,
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"False"
]
},
"execution_count": 31,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"isosmi.HasSubstructMatch(isosmi2, useChirality=True)"
]
},
{
"cell_type": "code",
"execution_count": 32,
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"True"
]
},
"execution_count": 32,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"smi.HasSubstructMatch(isosmi) and isosmi.HasSubstructMatch(smi)"
]
},
{
"cell_type": "code",
"execution_count": 31,
"metadata": {},
"outputs": [
{
"data": {
"image/png": "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\n",
"text/plain": [
"<rdkit.Chem.rdchem.Mol at 0x7f72fc320940>"
]
},
"execution_count": 31,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"mol"
]
},
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": []
}
],
"metadata": {
"kernelspec": {
"display_name": "Python 3",
"language": "python",
"name": "python3"
},
"language_info": {
"codemirror_mode": {
"name": "ipython",
"version": 3
},
"file_extension": ".py",
"mimetype": "text/x-python",
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.6.10"
}
},
"nbformat": 4,
"nbformat_minor": 4
}
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment