| 6e6j_ligand |
| RDKit 3D |
|
|
| 66 69 0 0 0 0 0 0 0 0999 V2000 |
| 1.0862 -2.6753 -2.5693 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1150 0.2501 0.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5680 -0.6466 -0.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2872 -0.7406 -1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0936 -1.7390 -2.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7659 -3.7250 -3.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5318 -1.5760 -1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7535 2.4615 -1.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9960 0.7254 -0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7946 -1.8294 1.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8160 -2.7371 2.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2962 -2.5011 3.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0269 -1.9588 3.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8659 -1.0735 2.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8349 4.7729 -1.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4635 -0.3031 1.6990 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0839 0.1051 4.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2486 1.6335 1.7614 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4940 0.1918 2.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8375 0.1873 -1.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7367 1.5127 -1.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8790 2.0420 -0.6055 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9805 -0.2055 -0.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0639 -2.4151 0.9566 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6155 -2.6842 -0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3843 0.4850 1.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2461 -1.6344 2.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5893 3.8846 -1.8668 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4079 4.5875 -1.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4212 -0.1557 0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3604 -2.6601 -1.9668 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0291 -2.8145 4.4349 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6528 -1.2687 -0.3104 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2493 -3.4757 -2.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0519 -1.5298 0.0109 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3022 3.8268 -3.2725 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6365 1.1116 0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8560 -1.8637 -2.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3537 -3.2780 -4.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6469 -4.3135 -3.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0241 -4.3908 -3.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8972 0.4495 0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8049 -3.1788 2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6558 -1.8059 4.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5011 -1.2516 3.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1551 -1.5555 1.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8682 0.0050 2.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6680 5.7504 -2.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6924 4.3309 -2.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1081 4.9472 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3876 -1.3022 1.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8913 0.4680 4.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1910 0.7062 4.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8600 -0.9277 4.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3894 -0.4135 2.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7264 1.2278 2.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1564 1.8135 -2.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6970 2.7238 -0.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9200 -3.3082 -0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5727 -3.2175 -0.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7853 -1.7455 -0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5470 4.6465 -0.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5389 4.0715 -1.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2796 5.6025 -1.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5310 -1.7651 -0.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5636 2.9474 -3.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5 1 1 0 |
| 1 6 1 0 |
| 31 1 1 0 |
| 2 3 1 0 |
| 30 2 2 0 |
| 3 4 1 0 |
| 3 7 2 0 |
| 4 5 2 0 |
| 4 20 1 0 |
| 7 31 1 0 |
| 7 33 1 0 |
| 21 8 2 0 |
| 8 22 1 0 |
| 8 28 1 0 |
| 9 22 2 0 |
| 23 9 1 0 |
| 10 24 2 0 |
| 10 27 1 0 |
| 35 10 1 0 |
| 11 12 2 0 |
| 24 11 1 0 |
| 13 12 1 0 |
| 12 32 1 0 |
| 27 13 2 0 |
| 27 14 1 0 |
| 28 15 1 0 |
| 16 19 1 0 |
| 26 16 1 0 |
| 19 17 1 0 |
| 26 18 2 0 |
| 20 21 1 0 |
| 20 23 2 0 |
| 23 35 1 0 |
| 24 25 1 0 |
| 26 30 1 0 |
| 28 29 1 0 |
| 28 36 1 0 |
| 30 33 1 0 |
| 31 34 2 0 |
| 2 37 1 0 |
| 5 38 1 0 |
| 6 39 1 0 |
| 6 40 1 0 |
| 6 41 1 0 |
| 9 42 1 0 |
| 11 43 1 0 |
| 13 44 1 0 |
| 14 45 1 0 |
| 14 46 1 0 |
| 14 47 1 0 |
| 15 48 1 0 |
| 15 49 1 0 |
| 15 50 1 0 |
| 16 51 1 0 |
| 17 52 1 0 |
| 17 53 1 0 |
| 17 54 1 0 |
| 19 55 1 0 |
| 19 56 1 0 |
| 21 57 1 0 |
| 22 58 1 0 |
| 25 59 1 0 |
| 25 60 1 0 |
| 25 61 1 0 |
| 29 62 1 0 |
| 29 63 1 0 |
| 29 64 1 0 |
| 33 65 1 0 |
| 36 66 1 0 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
