| 6cjs_ligand | |
| RDKit 3D | |
| 66 69 0 0 0 0 0 0 0 0999 V2000 | |
| -3.7057 -2.8055 -0.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8882 -4.1372 -0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0483 -4.0891 0.6652 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.8779 -3.1655 1.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2889 -1.8203 1.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4676 -1.7034 -0.2050 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -4.2748 -0.3241 -0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.9008 0.2610 -0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9174 0.0894 -1.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6353 0.6156 -1.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5768 0.9855 0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2936 1.5095 0.7383 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3151 1.3270 -0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0106 1.8825 -0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4539 3.2315 0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6551 4.4628 0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.5725 4.4656 0.1455 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4102 5.6187 0.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8248 6.9156 0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6971 8.0288 -0.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7979 3.2826 0.1558 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2363 1.9771 0.0719 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1721 1.1379 -0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5086 -0.2745 -0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3539 -0.7236 -1.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7031 -2.0821 -1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5944 -2.5346 -2.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0655 -2.2903 -2.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2382 -1.8903 -3.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2122 -2.9751 -0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5161 -4.3070 -0.3321 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3742 -2.5507 0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0272 -1.2064 0.7928 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2274 -0.8033 1.8282 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1267 -2.8631 -1.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6470 -2.5411 -0.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0069 -4.3691 0.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0124 -4.9550 -0.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8682 -3.0066 2.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2475 -3.6213 2.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2151 -1.7699 1.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.7984 -0.9816 1.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4564 -1.9437 -0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0282 0.3174 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.5377 -0.3811 -1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1333 -0.4422 -2.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1086 0.4794 -2.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.3171 1.1729 1.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0670 2.0764 1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4092 5.4878 0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7100 7.0190 1.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1728 6.9599 -0.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8147 7.9350 -1.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6960 8.0012 0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2516 9.0047 0.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7450 0.0108 -1.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4544 -3.6113 -2.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.7153 -2.6686 -2.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3451 -2.7984 -1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2773 -1.2229 -1.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8075 -2.3617 -4.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1730 -2.0137 -4.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4689 -0.8202 -3.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3724 -4.4400 -0.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0135 -3.2809 1.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3478 -1.4338 2.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 2 1 0 | |
| 1 6 1 0 | |
| 2 3 1 0 | |
| 3 4 1 0 | |
| 4 5 1 0 | |
| 5 6 1 0 | |
| 6 7 1 0 | |
| 7 8 1 0 | |
| 8 9 2 0 | |
| 8 11 1 0 | |
| 9 10 1 0 | |
| 10 13 2 0 | |
| 11 12 2 0 | |
| 12 13 1 0 | |
| 13 14 1 0 | |
| 14 15 1 0 | |
| 14 23 2 0 | |
| 15 16 1 0 | |
| 15 21 2 0 | |
| 16 17 2 0 | |
| 16 18 1 0 | |
| 18 19 1 0 | |
| 19 20 1 0 | |
| 21 22 1 0 | |
| 22 23 1 0 | |
| 23 24 1 0 | |
| 24 25 2 0 | |
| 24 33 1 0 | |
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| 26 30 2 0 | |
| 27 28 1 0 | |
| 27 29 1 0 | |
| 30 31 1 0 | |
| 30 32 1 0 | |
| 32 33 2 0 | |
| 33 34 1 0 | |
| 1 35 1 0 | |
| 1 36 1 0 | |
| 2 37 1 0 | |
| 2 38 1 0 | |
| 4 39 1 0 | |
| 4 40 1 0 | |
| 5 41 1 0 | |
| 5 42 1 0 | |
| 6 43 1 0 | |
| 7 44 1 0 | |
| 7 45 1 0 | |
| 9 46 1 0 | |
| 10 47 1 0 | |
| 11 48 1 0 | |
| 12 49 1 0 | |
| 18 50 1 0 | |
| 19 51 1 0 | |
| 19 52 1 0 | |
| 20 53 1 0 | |
| 20 54 1 0 | |
| 20 55 1 0 | |
| 25 56 1 0 | |
| 27 57 1 0 | |
| 28 58 1 0 | |
| 28 59 1 0 | |
| 28 60 1 0 | |
| 29 61 1 0 | |
| 29 62 1 0 | |
| 29 63 1 0 | |
| 31 64 1 0 | |
| 32 65 1 0 | |
| 34 66 1 0 | |
| M CHG 1 6 1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |