| 6e13_ligand | |
| RDKit 3D | |
| 37 37 0 0 0 0 0 0 0 0999 V2000 | |
| -4.2433 0.7295 -2.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8055 0.6280 -1.6195 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -2.3231 -0.8024 -1.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9879 -1.1366 -1.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1606 -0.3905 -1.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3965 -0.6715 -0.9738 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6206 1.6379 -0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9266 1.1112 1.2772 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 2.9992 2.2879 2.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4834 -1.7313 -0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3587 -2.5058 0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8727 -2.2162 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8653 0.9272 -0.1246 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 4.2148 0.3099 1.2890 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -5.0496 1.0639 -1.2684 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -4.4115 0.4542 -3.4023 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0222 3.0685 2.2832 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 4.0842 2.2353 2.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6532 -2.0303 0.5875 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5101 -3.5421 1.0869 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7971 0.3435 -1.4063 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1460 1.3896 -2.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0791 -1.5183 -1.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2296 -0.9791 -2.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0983 0.4179 -2.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6087 2.0530 -0.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3074 2.4499 -0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1516 0.4369 1.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7450 -2.8252 -0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4427 1.8185 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9012 1.0681 -0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5952 0.1602 0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6504 0.5820 2.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0218 -0.6946 1.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8514 0.6135 0.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4441 -2.8735 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2762 -4.1135 1.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2 1 1 0 | |
| 1 15 1 0 | |
| 1 16 2 0 | |
| 3 2 1 0 | |
| 2 13 1 0 | |
| 4 3 1 0 | |
| 5 4 2 0 | |
| 4 12 1 0 | |
| 6 5 1 0 | |
| 6 10 2 0 | |
| 21 6 1 0 | |
| 7 8 1 0 | |
| 7 21 1 0 | |
| 8 9 1 0 | |
| 8 14 1 0 | |
| 9 17 1 0 | |
| 9 18 2 0 | |
| 10 11 1 0 | |
| 10 19 1 0 | |
| 11 12 2 0 | |
| 11 20 1 0 | |
| 2 22 1 6 | |
| 3 23 1 0 | |
| 3 24 1 0 | |
| 5 25 1 0 | |
| 7 26 1 0 | |
| 7 27 1 0 | |
| 8 28 1 1 | |
| 12 29 1 0 | |
| 13 30 1 0 | |
| 13 31 1 0 | |
| 13 32 1 0 | |
| 14 33 1 0 | |
| 14 34 1 0 | |
| 14 35 1 0 | |
| 19 36 1 0 | |
| 20 37 1 0 | |
| M CHG 4 13 1 14 1 15 -1 17 -1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |