| 5ze6_ligand |
| RDKit 3D |
|
|
| 58 58 0 0 0 0 0 0 0 0999 V2000 |
| -7.3780 -1.1878 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4152 -1.8940 1.6016 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 7.0885 -3.3340 1.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.1854 -3.4708 -1.0523 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3261 -0.5362 -2.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8838 -1.7444 -2.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4471 0.1210 -2.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.6650 0.1779 -0.9995 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4159 0.9721 -1.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5067 1.3535 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3270 0.3916 -0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4997 0.6632 1.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7700 2.0083 1.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9380 2.2773 2.4482 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8192 1.2731 2.7425 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2070 1.1536 1.6129 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3695 0.2436 2.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3625 -0.0217 0.8821 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1058 1.2336 0.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1658 0.9202 -0.6401 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2686 0.2537 -0.0287 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3567 -2.3192 0.8664 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5622 -2.2826 -1.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0978 -0.4308 -0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6645 -1.6519 -0.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7313 -1.7790 -1.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9004 -1.0994 0.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.3130 -1.7406 -0.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9017 -3.6796 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5840 -0.0998 -3.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.5774 -2.2700 -3.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0561 1.0842 -2.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.2672 0.7624 -0.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.2811 0.0406 -1.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8519 0.4305 -2.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7637 1.9005 -1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0864 1.4262 0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1078 2.3549 -0.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6901 -0.6400 0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6764 0.4461 -0.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7691 -0.1481 1.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1483 0.6112 2.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5013 2.8200 1.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1348 2.0694 0.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4976 3.2786 2.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6087 2.3122 3.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3081 1.5960 3.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2464 0.2882 2.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2703 0.7462 0.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5818 2.1521 1.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8994 0.6790 2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9688 -0.7216 2.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0843 -0.7652 1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8356 -0.4736 0.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5807 1.7139 1.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3919 1.9437 -0.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7243 0.3136 -1.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5148 1.8718 -1.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8 1 1 0 |
| 22 2 1 0 |
| 22 3 2 0 |
| 23 4 1 0 |
| 6 5 2 0 |
| 5 7 1 0 |
| 23 6 1 0 |
| 7 24 2 0 |
| 9 8 1 0 |
| 10 9 1 0 |
| 11 10 1 0 |
| 12 11 1 0 |
| 13 12 1 0 |
| 14 13 1 0 |
| 15 14 1 0 |
| 16 15 1 0 |
| 17 16 1 0 |
| 18 17 1 0 |
| 19 18 1 0 |
| 20 19 1 0 |
| 21 20 1 0 |
| 24 21 1 0 |
| 25 22 1 0 |
| 23 25 2 0 |
| 24 25 1 0 |
| 1 26 1 0 |
| 1 27 1 0 |
| 1 28 1 0 |
| 4 29 1 0 |
| 5 30 1 0 |
| 6 31 1 0 |
| 7 32 1 0 |
| 8 33 1 0 |
| 8 34 1 0 |
| 9 35 1 0 |
| 9 36 1 0 |
| 10 37 1 0 |
| 10 38 1 0 |
| 11 39 1 0 |
| 11 40 1 0 |
| 12 41 1 0 |
| 12 42 1 0 |
| 13 43 1 0 |
| 13 44 1 0 |
| 14 45 1 0 |
| 14 46 1 0 |
| 15 47 1 0 |
| 15 48 1 0 |
| 16 49 1 0 |
| 16 50 1 0 |
| 17 51 1 0 |
| 17 52 1 0 |
| 18 53 1 0 |
| 18 54 1 0 |
| 19 55 1 0 |
| 19 56 1 0 |
| 20 57 1 0 |
| 20 58 1 0 |
| M CHG 1 2 -1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
