| 6dz2_ligand |
| RDKit 3D |
|
|
| 65 69 0 0 0 0 0 0 0 0999 V2000 |
| -2.5188 -2.1227 -0.8658 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1163 -0.8153 -0.4306 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -3.3790 -0.0519 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7613 -0.7919 1.2250 N 0 0 2 0 0 4 0 0 0 0 0 0 |
| -4.8394 -0.1669 2.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1574 -0.1655 1.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6987 0.9218 0.6338 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1349 2.1177 0.3649 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9425 2.9209 -0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.1812 2.6564 -0.8088 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.7229 1.4586 -0.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.0030 1.1946 -0.9929 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9614 0.5627 0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.1852 -0.7257 0.6089 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0993 -1.1808 1.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4673 -1.0411 1.9596 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3592 -0.9778 0.8925 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.3820 0.1812 1.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4996 0.0890 2.7213 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5418 -1.4012 2.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4061 -1.4477 1.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4037 -0.2926 1.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1484 -0.3449 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5062 -0.1326 -1.3441 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4001 -0.2307 -2.3183 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5981 -0.4697 -1.7502 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4800 -0.5919 -0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7820 -0.6411 -2.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9422 0.1895 -2.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9669 1.5753 -2.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.0261 2.3481 -1.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.0695 1.7460 -1.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.0604 0.3694 -0.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.0033 -0.4070 -1.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8271 -2.4631 -1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5482 -0.3300 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1852 0.9929 0.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1926 -0.1599 -0.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0971 -1.7112 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5111 0.8448 2.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9046 -0.7555 2.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5503 3.9045 -0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.4303 2.0575 -1.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.5877 0.6715 -0.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.0249 -1.2546 0.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1089 -2.1797 1.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5478 -2.0313 2.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3737 -0.2755 2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8044 -1.9245 0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3436 0.2485 0.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9234 1.1345 1.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1879 -1.4677 3.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8868 -2.2779 2.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7681 -1.4986 0.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9638 -2.3942 1.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1046 -0.3260 1.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8901 0.6741 1.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3192 -0.8072 0.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5326 -0.3647 -3.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0204 -1.7102 -2.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1603 2.0624 -2.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.0394 3.4215 -1.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.8938 2.3505 -0.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.8786 -0.1013 -0.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.0177 -1.4804 -1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 2 3 1 0 |
| 2 17 1 0 |
| 3 4 1 0 |
| 4 5 1 0 |
| 4 16 1 0 |
| 5 6 1 0 |
| 6 7 1 0 |
| 6 15 2 0 |
| 7 8 2 0 |
| 7 13 1 0 |
| 8 9 1 0 |
| 9 10 2 0 |
| 10 11 1 0 |
| 11 12 1 0 |
| 11 13 2 0 |
| 13 14 1 0 |
| 14 15 1 0 |
| 16 17 1 0 |
| 17 18 1 0 |
| 18 19 1 0 |
| 19 20 1 0 |
| 20 21 1 0 |
| 21 22 1 0 |
| 22 23 1 0 |
| 23 24 1 0 |
| 23 27 2 0 |
| 24 25 2 0 |
| 25 26 1 0 |
| 26 27 1 0 |
| 26 28 1 0 |
| 28 29 1 0 |
| 29 30 2 0 |
| 29 34 1 0 |
| 30 31 1 0 |
| 31 32 2 0 |
| 32 33 1 0 |
| 33 34 2 0 |
| 1 35 1 0 |
| 2 36 1 6 |
| 3 37 1 0 |
| 3 38 1 0 |
| 4 39 1 6 |
| 5 40 1 0 |
| 5 41 1 0 |
| 9 42 1 0 |
| 12 43 1 0 |
| 12 44 1 0 |
| 14 45 1 0 |
| 15 46 1 0 |
| 16 47 1 0 |
| 16 48 1 0 |
| 17 49 1 6 |
| 18 50 1 0 |
| 18 51 1 0 |
| 20 52 1 0 |
| 20 53 1 0 |
| 21 54 1 0 |
| 21 55 1 0 |
| 22 56 1 0 |
| 22 57 1 0 |
| 27 58 1 0 |
| 28 59 1 0 |
| 28 60 1 0 |
| 30 61 1 0 |
| 31 62 1 0 |
| 32 63 1 0 |
| 33 64 1 0 |
| 34 65 1 0 |
| M CHG 1 4 1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
