| 6d08_ligand | |
| RDKit 3D | |
| 146146 0 0 0 0 0 0 0 0999 V2000 | |
| -9.1501 3.4835 -3.1009 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -10.1939 4.1934 -2.2785 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
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| -11.0592 2.9966 -0.3272 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.5570 3.9478 -2.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -8.3227 3.0562 0.7934 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
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| -7.7978 2.0440 -1.3428 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.2379 2.3985 1.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.0060 3.4087 2.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.1082 2.7476 3.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -12.5286 3.0017 3.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -12.7326 2.4260 1.6919 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -6.8591 1.0695 0.5162 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.1905 -0.0680 -0.1545 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
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| 3.0544 -3.0931 -1.0672 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
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| 4.3220 -6.7499 -3.5004 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4572 -7.7607 -2.6324 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 4.4357 -1.1867 -0.2442 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.6700 -0.6022 0.2975 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 5.4492 -0.2214 1.7649 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7014 0.7016 2.0735 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0559 0.6373 -0.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 10.6281 1.9212 -0.4391 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 11.8612 2.5033 0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.6852 3.1561 -0.9064 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.5163 4.5176 -1.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.2338 5.0973 -2.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 14.1134 4.3307 -3.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 14.2837 2.9851 -2.7259 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.5792 2.3948 -1.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.1441 -1.0127 2.6617 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 8.2512 1.2838 4.4918 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -10.0041 -2.7310 0.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0157 0.5349 1.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 12.4209 1.6929 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 8.0701 -1.8207 4.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.0180 -0.0675 6.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 68146 1 0 | |
| M CHG 5 1 1 14 1 45 1 55 1 66 -1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |