| 6e4c_ligand | |
| RDKit 3D | |
| 34 36 0 0 0 0 0 0 0 0999 V2000 | |
| -5.3891 2.3021 0.0009 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -4.2585 2.1170 -0.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7354 2.7924 -1.4942 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4979 0.9117 -0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2050 0.8419 -0.1849 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3502 -0.1258 0.6746 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -4.9721 0.4180 1.8355 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5602 -1.3658 1.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0686 -2.4017 1.4767 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0987 -1.3242 0.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5444 -0.2546 0.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0735 -0.2482 0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5837 -0.8439 -0.9399 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1874 -1.4920 -2.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9878 -0.8056 -0.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6808 0.3847 1.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0750 0.4265 1.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7331 -0.1687 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2010 -0.1458 -0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9024 -0.9120 -0.8838 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2601 -0.5190 -0.6646 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2199 0.5049 0.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.1872 1.1210 0.6681 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9425 0.7159 0.5981 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.1328 -0.4421 -0.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4589 1.2073 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5381 -2.1768 1.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4816 -1.8610 -2.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8682 -0.7672 -2.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7590 -2.3480 -1.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5022 -1.2588 -1.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1700 0.8636 1.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6128 0.9188 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6540 1.4596 1.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 2 1 0 | |
| 2 3 2 0 | |
| 2 4 1 0 | |
| 4 5 2 0 | |
| 4 6 1 0 | |
| 5 11 1 0 | |
| 6 7 1 0 | |
| 6 8 1 0 | |
| 8 9 2 0 | |
| 8 10 1 0 | |
| 10 11 2 0 | |
| 11 12 1 0 | |
| 12 13 2 0 | |
| 12 16 1 0 | |
| 13 14 1 0 | |
| 13 15 1 0 | |
| 15 18 2 0 | |
| 16 17 2 0 | |
| 17 18 1 0 | |
| 18 19 1 0 | |
| 19 20 2 0 | |
| 19 24 1 0 | |
| 20 21 1 0 | |
| 21 22 1 0 | |
| 22 23 2 0 | |
| 22 24 1 0 | |
| 6 25 1 6 | |
| 7 26 1 0 | |
| 10 27 1 0 | |
| 14 28 1 0 | |
| 14 29 1 0 | |
| 14 30 1 0 | |
| 15 31 1 0 | |
| 16 32 1 0 | |
| 17 33 1 0 | |
| 24 34 1 0 | |
| M CHG 1 1 -1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |