| 6e4c_ligand | |
| RDKit 3D | |
| 34 36 0 0 0 0 0 0 0 0999 V2000 | |
| -5.2902 1.8517 -1.2321 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -4.2571 2.1455 -0.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7886 3.2923 -0.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5171 0.9613 0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2351 0.8537 -0.2128 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3250 -0.0031 0.8436 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -4.4812 0.5122 2.1719 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6214 -1.3422 0.9503 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1788 -2.3955 1.2641 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1589 -1.3463 0.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5812 -0.2642 0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1073 -0.2618 0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5913 -1.1115 -0.7896 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1167 -2.0871 -1.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9974 -1.0578 -0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6126 0.6592 0.8757 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0074 0.7211 0.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7069 -0.1439 -0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.1788 -0.1284 -0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8989 -1.0159 -0.7196 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2511 -0.5855 -0.5417 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.1912 0.5769 0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.1509 1.2479 0.5313 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9048 0.8501 0.4464 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.3124 -0.1580 0.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6694 1.0095 2.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6229 -2.2270 1.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5251 -2.3853 -2.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3933 -2.9883 -1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0157 -1.6381 -2.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5413 -1.7278 -1.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0727 1.3470 1.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5089 1.4474 1.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6087 1.6782 0.9282 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 | |
| $$$$ | |