| 6e5s_ligand |
| RDKit 3D |
|
|
| 50 50 0 0 0 0 0 0 0 0999 V2000 |
| -3.2453 -0.6203 2.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5921 -0.2435 3.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2066 1.1424 3.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2479 2.1977 3.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5372 1.8137 1.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5251 0.5430 1.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8323 0.1833 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4952 0.2165 0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2738 -0.1551 -1.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6198 -0.0592 -1.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5744 -0.3710 -2.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9013 -0.2348 -1.9903 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9417 -0.5227 -2.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2305 -0.3320 -2.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4660 -0.5504 -3.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5441 -0.9648 1.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3723 -1.8959 2.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8762 2.9955 1.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5054 -0.6178 -2.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5010 -1.0147 -4.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2803 -0.9809 4.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6842 -0.2712 4.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1538 1.1841 3.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4463 1.3637 4.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8149 3.1248 2.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4853 2.4114 3.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4745 -0.1665 -0.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0873 0.5484 0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0741 0.2898 -0.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1850 -0.7272 -3.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2612 0.1244 -1.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4512 0.0280 -1.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.2776 -0.9208 -4.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.1130 -1.2751 -2.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.0173 0.3912 -3.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3318 -1.3734 0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1297 -1.7186 1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1819 -0.0852 1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4042 -1.6899 2.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8681 -2.6777 2.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1791 -2.3187 1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4905 2.7798 0.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0445 3.3568 1.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5964 3.8126 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1954 0.1652 -2.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1189 -0.8681 -3.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0836 -1.5172 -2.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8523 -0.2762 -4.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3272 -1.2020 -5.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9514 -1.9580 -4.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 1 6 1 0 |
| 1 16 1 0 |
| 1 17 1 0 |
| 2 3 1 0 |
| 3 4 1 0 |
| 4 5 1 0 |
| 5 6 2 0 |
| 5 18 1 0 |
| 6 7 1 0 |
| 7 8 2 0 |
| 8 9 1 0 |
| 9 10 2 0 |
| 9 19 1 0 |
| 10 11 1 0 |
| 11 12 2 0 |
| 12 13 1 0 |
| 13 14 2 0 |
| 13 20 1 0 |
| 14 15 1 0 |
| 2 21 1 0 |
| 2 22 1 0 |
| 3 23 1 0 |
| 3 24 1 0 |
| 4 25 1 0 |
| 4 26 1 0 |
| 7 27 1 0 |
| 8 28 1 0 |
| 10 29 1 0 |
| 11 30 1 0 |
| 12 31 1 0 |
| 14 32 1 0 |
| 15 33 1 0 |
| 15 34 1 0 |
| 15 35 1 0 |
| 16 36 1 0 |
| 16 37 1 0 |
| 16 38 1 0 |
| 17 39 1 0 |
| 17 40 1 0 |
| 17 41 1 0 |
| 18 42 1 0 |
| 18 43 1 0 |
| 18 44 1 0 |
| 19 45 1 0 |
| 19 46 1 0 |
| 19 47 1 0 |
| 20 48 1 0 |
| 20 49 1 0 |
| 20 50 1 0 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
