| 6cjs_ligand | |
| RDKit 3D | |
| 66 69 0 0 0 0 0 0 0 0999 V2000 | |
| -5.1490 -0.8292 -0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.3087 -0.1654 0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.6105 -0.8998 1.7947 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.5442 -0.8091 2.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1654 -1.0639 2.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3672 -1.7374 0.7777 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -3.1395 -2.3694 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9755 -1.4373 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0054 -1.2772 0.9746 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0194 -0.3398 0.8291 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8647 -0.6781 -1.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8459 0.2660 -1.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0886 0.4510 -0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0915 1.4854 -0.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9489 2.9038 -0.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2820 3.6909 -0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3830 3.1788 -0.0731 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0889 5.0558 -0.3404 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1289 5.9978 0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8485 7.3735 -0.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1519 3.4995 -0.5071 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0771 2.4813 -0.5902 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4508 1.2716 -0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3306 0.1104 -0.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9543 -1.0008 -1.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7516 -2.1603 -1.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2728 -3.3085 -2.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0729 -4.6097 -1.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.1841 -3.5204 -3.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9544 -2.1808 -0.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7575 -3.2823 -0.8231 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3507 -1.0919 0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5467 0.0446 0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.0195 1.0589 0.8730 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.5277 -1.4701 -0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4816 -0.0723 -0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0660 0.8734 0.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.2047 -0.1434 -0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.7445 -1.5632 3.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.5735 0.1716 3.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5558 -1.7158 2.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6364 -0.1218 1.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0211 -2.5087 0.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8579 -3.1918 0.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4448 -2.8280 -0.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0365 -1.8691 1.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7503 -0.2179 1.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5774 -0.7940 -2.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7985 0.8699 -2.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8794 5.3669 -0.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0924 5.6219 -0.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1772 6.0450 1.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6318 8.0784 -0.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1130 7.7597 -0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8124 7.3393 -1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0272 -0.9657 -1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2856 -3.0394 -2.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5739 -5.3580 -2.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4488 -4.4462 -0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0205 -5.0452 -1.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3272 -2.5857 -4.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1731 -3.8920 -3.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7428 -4.2520 -4.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.5980 -3.0925 -0.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2827 -1.1082 0.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5153 1.8723 0.6920 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 | |
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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 | |
| 1 35 1 0 | |
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| 2 37 1 0 | |
| 2 38 1 0 | |
| 4 39 1 0 | |
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| 5 41 1 0 | |
| 5 42 1 0 | |
| 6 43 1 0 | |
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| 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 | |
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| 20 53 1 0 | |
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| 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 | |
| $$$$ | |