| 5zr3_ligand |
| RDKit 3D |
|
|
| 57 61 0 0 0 0 0 0 0 0999 V2000 |
| 8.4975 0.7590 2.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9347 -0.1725 1.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.6452 -1.2608 1.0142 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4742 -0.1490 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8176 1.0882 1.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4359 1.1987 0.8715 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9002 2.5981 0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7448 -1.3088 0.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3722 -1.2236 0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6947 0.0165 0.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2788 -0.0335 0.4711 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7691 -1.0241 -0.3096 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4610 -0.7644 -0.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3246 -1.5274 -1.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3480 -3.0311 -1.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2175 -1.2708 -2.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0550 0.2658 0.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2640 0.7607 0.9931 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4041 1.7882 1.8603 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2632 2.4171 2.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9946 2.0529 1.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1251 0.9246 0.9207 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4313 0.4664 0.6338 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8534 -0.8403 0.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1361 -0.9430 0.3026 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5650 1.2351 0.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5892 0.3472 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9861 0.6312 -0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9876 -0.3315 -0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.1841 0.2249 -0.4635 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6308 1.8428 -0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9367 1.5458 -0.3793 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.0185 2.4808 -0.5702 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.6510 -1.1888 1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2887 -1.8929 0.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4024 1.9910 1.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6062 2.9892 1.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0689 2.6530 0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6700 3.2661 0.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2103 -2.2891 0.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8242 -2.1512 0.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3549 -1.1652 -1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0005 -3.5495 -1.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6520 -3.4722 -1.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7164 -3.2397 -0.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2273 -0.1984 -3.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4087 -1.7660 -3.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2406 -1.6453 -2.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3861 3.2614 2.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8522 2.6050 2.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1954 -1.6755 0.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5470 2.3144 0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8931 -1.4101 -0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2834 2.8609 -0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.6411 3.5007 -0.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.4249 2.3372 -1.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.7822 2.2838 0.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 2 0 |
| 2 3 1 0 |
| 2 4 1 0 |
| 4 5 2 0 |
| 4 8 1 0 |
| 5 6 1 0 |
| 6 7 1 0 |
| 6 10 2 0 |
| 8 9 2 0 |
| 9 10 1 0 |
| 10 11 1 0 |
| 11 12 1 0 |
| 11 18 1 0 |
| 12 13 2 0 |
| 13 14 1 0 |
| 13 17 1 0 |
| 14 15 1 0 |
| 14 16 1 0 |
| 17 18 2 0 |
| 17 22 1 0 |
| 18 19 1 0 |
| 19 20 2 0 |
| 20 21 1 0 |
| 21 22 2 0 |
| 22 23 1 0 |
| 23 24 1 0 |
| 23 26 1 0 |
| 24 25 2 0 |
| 25 27 1 0 |
| 26 27 2 0 |
| 27 28 1 0 |
| 28 29 1 0 |
| 28 31 2 0 |
| 29 30 2 0 |
| 30 32 1 0 |
| 31 32 1 0 |
| 32 33 1 0 |
| 3 34 1 0 |
| 3 35 1 0 |
| 5 36 1 0 |
| 7 37 1 0 |
| 7 38 1 0 |
| 7 39 1 0 |
| 8 40 1 0 |
| 9 41 1 0 |
| 14 42 1 0 |
| 15 43 1 0 |
| 15 44 1 0 |
| 15 45 1 0 |
| 16 46 1 0 |
| 16 47 1 0 |
| 16 48 1 0 |
| 20 49 1 0 |
| 21 50 1 0 |
| 24 51 1 0 |
| 26 52 1 0 |
| 29 53 1 0 |
| 31 54 1 0 |
| 33 55 1 0 |
| 33 56 1 0 |
| 33 57 1 0 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
