| 6e5s_ligand | |
| RDKit 3D | |
| 50 50 0 0 0 0 0 0 0 0999 V2000 | |
| -3.4164 -0.4413 1.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3539 0.7159 0.8565 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4632 1.7991 1.9189 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0970 2.3918 2.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9648 1.3884 2.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0878 0.1167 1.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9943 -0.8396 1.9376 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1150 -0.9780 1.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6419 -0.2504 0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.7751 -0.7274 -0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4974 -0.1903 -1.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6206 -0.7567 -2.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4162 -0.2955 -3.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5440 -0.9662 -3.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.5199 -0.6501 -4.6915 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2276 -1.3482 0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1087 -1.2868 2.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7197 1.9642 2.9381 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0832 0.9701 -0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.9155 0.8943 -4.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9797 1.1722 -0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.3568 0.3322 0.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.1352 2.5948 1.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.9132 1.3931 2.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8439 3.1349 1.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.1735 2.9329 3.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1430 -1.5760 2.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7432 -1.8175 1.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2298 -1.6239 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1063 0.7025 -2.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.9986 -1.6462 -1.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.8249 -1.8359 -3.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2999 -1.2480 -5.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.5321 -0.9018 -4.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.5326 0.4087 -4.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7063 -0.8272 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1973 -1.6718 -0.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6624 -2.2560 0.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.1022 -1.6142 2.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5327 -2.1889 2.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2315 -0.7303 3.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1178 1.2653 2.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3851 2.8437 2.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9378 2.2778 3.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1500 0.7836 -0.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2663 1.3125 -1.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0542 1.8066 0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8867 0.7305 -4.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.9431 1.7989 -3.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5013 1.0955 -4.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 2 1 0 | |
| 1 6 1 0 | |
| 1 16 1 0 | |
| 1 17 1 0 | |
| 2 3 1 0 | |
| 3 4 1 0 | |
| 4 5 1 0 | |
| 5 6 2 0 | |
| 5 18 1 0 | |
| 6 7 1 0 | |
| 7 8 2 0 | |
| 8 9 1 0 | |
| 9 10 2 0 | |
| 9 19 1 0 | |
| 10 11 1 0 | |
| 11 12 2 0 | |
| 12 13 1 0 | |
| 13 14 2 0 | |
| 13 20 1 0 | |
| 14 15 1 0 | |
| 2 21 1 0 | |
| 2 22 1 0 | |
| 3 23 1 0 | |
| 3 24 1 0 | |
| 4 25 1 0 | |
| 4 26 1 0 | |
| 7 27 1 0 | |
| 8 28 1 0 | |
| 10 29 1 0 | |
| 11 30 1 0 | |
| 12 31 1 0 | |
| 14 32 1 0 | |
| 15 33 1 0 | |
| 15 34 1 0 | |
| 15 35 1 0 | |
| 16 36 1 0 | |
| 16 37 1 0 | |
| 16 38 1 0 | |
| 17 39 1 0 | |
| 17 40 1 0 | |
| 17 41 1 0 | |
| 18 42 1 0 | |
| 18 43 1 0 | |
| 18 44 1 0 | |
| 19 45 1 0 | |
| 19 46 1 0 | |
| 19 47 1 0 | |
| 20 48 1 0 | |
| 20 49 1 0 | |
| 20 50 1 0 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |