| 6cjs_ligand | |
| RDKit 3D | |
| 66 69 0 0 0 0 0 0 0 0999 V2000 | |
| -3.0321 -2.4081 -0.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7101 -3.7274 -0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.9050 -3.9781 -0.8777 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.6322 -2.8065 -1.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4427 -1.6447 -0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9774 -1.2260 -0.2547 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -3.6529 -0.4112 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3693 0.3610 0.8311 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2010 -0.0723 1.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0244 0.5325 1.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3032 1.4724 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0773 2.0807 -0.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0982 1.5811 0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3835 2.0698 -0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9240 3.3858 -0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3416 4.6511 0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3854 5.6790 -0.4875 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7292 4.5908 1.4199 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1818 5.7738 2.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2253 6.0697 1.5596 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1238 3.3606 -0.8784 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3846 2.0377 -1.1755 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3351 1.2664 -0.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4477 -0.1540 -1.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5560 -0.8717 -0.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6801 -2.2676 -0.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8921 -3.0052 -0.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6112 -3.4672 1.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2028 -2.2083 -0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6252 -2.9327 -1.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5660 -4.2868 -1.5912 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5300 -2.2346 -1.9311 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4539 -0.8555 -1.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3680 -0.2460 -2.3594 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1073 -2.2575 0.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8131 -2.3825 -1.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0287 -4.5637 -0.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9649 -3.7398 0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.6894 -3.0817 -1.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.3146 -2.5203 -2.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0230 -0.7640 -0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.7086 -1.9514 0.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8260 -0.5990 -1.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4817 0.2903 1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6252 -1.1003 1.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2147 -0.9167 2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9266 0.1404 1.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.1938 1.8603 -0.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0448 2.9083 -1.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8358 3.7558 1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8397 6.6265 1.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1764 5.5952 3.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8924 5.2257 1.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6246 6.9541 2.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2371 6.2586 0.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3245 -0.3221 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.0793 -3.8897 -0.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7193 -4.1012 1.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4532 -4.0482 1.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4479 -2.6162 1.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.0499 -2.8532 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2083 -1.3718 0.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3814 -1.8097 -1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4089 -4.6995 -1.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7489 -2.7732 -2.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6472 0.6531 -2.6144 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 | |
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| 24 25 2 0 | |
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| 26 30 2 0 | |
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| 30 31 1 0 | |
| 30 32 1 0 | |
| 32 33 2 0 | |
| 33 34 1 0 | |
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| 2 37 1 0 | |
| 2 38 1 0 | |
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| 4 40 1 0 | |
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| 6 43 1 0 | |
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| 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 | |
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| 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 | |
| $$$$ | |