| 6cjp_ligand | |
| RDKit 3D | |
| 61 64 0 0 0 0 0 0 0 0999 V2000 | |
| -0.1077 0.1057 -0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4833 -1.0912 -2.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.8705 -1.1703 -2.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2454 0.4786 -0.8821 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 3.4203 -1.4128 -2.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5773 -0.0961 -2.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.7092 0.4858 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.8542 1.2126 1.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3517 0.1651 3.8428 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4557 -0.4019 2.9737 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3155 0.1180 1.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1704 1.2572 1.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4701 0.8938 1.3994 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4632 1.8868 1.0722 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -5.6933 1.6141 1.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7530 2.3164 0.8285 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3500 -0.4225 0.7923 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0130 -1.0093 -1.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2599 -1.6349 -2.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6516 -1.7365 -2.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2601 0.1771 -2.3672 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -6.4627 0.4518 -1.6298 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.7823 1.8320 -0.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1142 -1.5021 -2.1189 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2148 -0.8496 -1.5483 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5789 -0.7633 -1.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.6314 0.5248 -1.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.7829 1.1437 0.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7266 -0.1943 0.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6703 -0.8160 0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4613 -1.4705 1.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2842 -1.9898 2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0969 -3.0159 2.9327 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6714 -1.4692 3.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8850 0.8039 -0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8097 0.7045 -0.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6334 -0.1219 -1.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.6758 -1.7595 -3.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0532 -0.3313 -0.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4376 -2.4933 -1.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4673 -1.2361 -3.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5387 -0.0440 -3.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.7444 1.7921 2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.9840 1.7324 2.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.9657 0.2153 2.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3303 -0.3044 4.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0965 2.8921 1.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4583 1.8122 2.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.5369 2.2509 1.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0020 0.5650 1.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0888 -2.5845 -2.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5285 -2.7468 -3.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.9324 0.9569 -3.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.5337 2.5925 -0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8744 2.0861 -0.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.3959 1.0521 -1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7445 -0.2552 1.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.9035 -1.3333 0.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2381 -1.9040 0.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6244 -3.5647 3.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7754 -1.8645 4.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 17 1 0 | |
| 18 1 1 0 | |
| 19 2 2 0 | |
| 2 20 1 0 | |
| 20 3 2 0 | |
| 3 21 1 0 | |
| 21 4 1 0 | |
| 22 4 1 0 | |
| 4 23 1 0 | |
| 25 5 1 0 | |
| 5 26 1 0 | |
| 26 6 2 0 | |
| 6 27 1 0 | |
| 27 7 2 0 | |
| 7 28 1 0 | |
| 7 29 1 0 | |
| 28 8 1 0 | |
| 10 9 1 0 | |
| 11 10 2 0 | |
| 10 34 1 0 | |
| 11 12 1 0 | |
| 17 11 1 0 | |
| 12 13 1 0 | |
| 12 16 2 0 | |
| 13 14 1 0 | |
| 14 15 1 0 | |
| 14 23 1 0 | |
| 17 31 2 0 | |
| 18 19 1 0 | |
| 24 18 2 0 | |
| 21 22 1 0 | |
| 24 25 1 0 | |
| 26 30 1 0 | |
| 29 30 2 0 | |
| 31 32 1 0 | |
| 32 33 1 0 | |
| 32 34 2 0 | |
| 1 35 1 0 | |
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| 2 37 1 0 | |
| 3 38 1 0 | |
| 4 39 1 1 | |
| 5 40 1 0 | |
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| 6 42 1 0 | |
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| 9 46 1 0 | |
| 14 47 1 1 | |
| 15 48 1 0 | |
| 15 49 1 0 | |
| 15 50 1 0 | |
| 19 51 1 0 | |
| 20 52 1 0 | |
| 21 53 1 6 | |
| 23 54 1 0 | |
| 23 55 1 0 | |
| 27 56 1 0 | |
| 29 57 1 0 | |
| 30 58 1 0 | |
| 31 59 1 0 | |
| 33 60 1 0 | |
| 34 61 1 0 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |