| 6e6j_ligand |
| RDKit 3D |
|
|
| 66 69 0 0 0 0 0 0 0 0999 V2000 |
| -0.0172 -2.7017 -1.6553 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9284 0.3060 0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0979 -0.5765 -0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2373 -0.4717 -0.7435 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7358 -1.5176 -1.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6419 -3.7729 -2.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8020 -1.7349 -0.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8223 2.8705 -1.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5481 2.2014 0.6774 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2448 -1.1556 1.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5996 -3.0027 0.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6871 -3.8935 1.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5804 -3.4406 2.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1799 -1.6076 2.9679 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3894 4.5276 -2.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2059 -0.7849 1.8108 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0256 -0.3173 4.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4398 1.3626 1.6639 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3645 -0.4281 2.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0997 0.7159 -0.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1003 1.6609 -1.6188 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5357 3.1282 -0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8627 0.9845 0.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4093 -1.6184 0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4552 -0.6977 0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2911 0.1708 1.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3479 -2.0647 2.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7638 3.8532 -2.7131 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8584 4.9287 -2.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1356 -0.3474 0.7091 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2982 -2.8787 -1.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8934 -5.2107 1.1743 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0397 -1.5835 0.0963 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9704 -3.8912 -1.3552 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9633 0.1859 1.6958 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9437 3.1186 -3.9322 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6932 1.3099 0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7377 -1.4924 -1.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6020 -3.5188 -3.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1256 -4.7245 -2.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6846 -3.8886 -2.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1051 2.4272 1.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4678 -3.4026 0.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9062 -4.1665 2.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1305 -0.5879 2.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6870 -2.2554 2.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4472 -1.6407 4.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1773 5.1016 -1.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4140 3.7937 -2.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3284 5.2050 -3.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9255 -1.7528 1.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6154 -1.2593 4.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9218 -0.0760 4.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2812 0.4653 4.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7756 0.5192 2.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1149 -1.2095 2.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5012 1.4615 -2.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0876 4.0544 -0.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6620 0.1240 1.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1386 -0.3016 -0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4050 -1.2238 0.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8562 4.4758 -2.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7549 5.6204 -1.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8281 5.5181 -3.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7768 -2.2726 0.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6777 2.4979 -3.7844 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 |
|
|
| $$$$ |
|
|
