| 6cjs_ligand | |
| RDKit 3D | |
| 66 69 0 0 0 0 0 0 0 0999 V2000 | |
| -4.9383 -0.4899 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0109 0.1590 0.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.3819 -0.6666 2.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.4844 -2.0441 1.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0944 -2.6112 1.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1709 -1.5115 0.8282 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -2.9423 -2.0545 0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8390 -1.0380 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4852 -0.5198 -1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.4496 0.4126 -1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1415 -0.5982 1.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1086 0.3343 1.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2463 0.8365 -0.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3457 1.7698 -0.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3920 3.1844 -0.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2963 4.1273 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4077 5.0986 0.8648 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8805 3.8516 -0.5608 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9840 4.7901 -0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7811 5.9224 -1.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6642 3.6150 -0.1533 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4492 2.5035 -0.3531 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6704 1.3907 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3977 0.1339 -0.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9874 -0.8343 -1.4641 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6270 -2.0860 -1.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1192 -3.0756 -2.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5832 -4.3633 -1.9789 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.1624 -3.3731 -3.6901 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7049 -2.3455 -0.7177 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3449 -3.5489 -0.7904 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1377 -1.3959 0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4912 -0.1648 0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9813 0.6996 1.2334 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2468 0.2659 -0.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.3882 -1.0266 -0.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.9047 0.3987 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.6309 1.0982 1.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.9302 -2.5967 2.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.1605 -2.1442 0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6173 -3.0047 2.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.1545 -3.4010 0.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8672 -1.0088 1.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2515 -2.4518 -0.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5823 -2.8946 0.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9919 -0.8491 -2.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1742 0.7819 -2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3685 -0.9909 2.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4335 0.6487 1.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8308 3.1990 -1.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8880 4.2273 -0.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1020 5.1913 0.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8806 6.5006 -1.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6713 5.5329 -2.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6383 6.6021 -1.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1627 -0.6101 -2.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2669 -2.6138 -3.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8375 -4.1402 -1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3742 -4.9615 -1.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1016 -4.9891 -2.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7254 -3.9870 -4.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.0280 -3.9140 -3.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5285 -2.4462 -4.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.1100 -3.5413 -0.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.9752 -1.5944 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6365 1.5961 1.0664 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 | |
| 25 26 1 0 | |
| 26 27 1 0 | |
| 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 | |
| $$$$ | |