| 6dz2_ligand |
| RDKit 3D |
|
|
| 65 69 0 0 0 0 0 0 0 0999 V2000 |
| -2.3505 -3.1815 -0.2994 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9476 -1.8574 -0.6806 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -3.0104 -1.3241 -1.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1336 -1.0098 -0.6868 N 0 0 2 0 0 4 0 0 0 0 0 0 |
| -5.2488 -0.2155 -1.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4737 -0.2445 -0.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8125 0.7028 0.5575 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1046 1.7697 0.9817 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7305 2.4517 1.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9215 2.1817 2.5252 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.6134 1.1184 2.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.8475 0.8489 2.6549 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.0429 0.3521 1.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4457 -0.7974 0.4572 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.5028 -1.1720 -0.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4789 -0.3940 0.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0469 -0.9569 0.5542 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.9578 0.1233 0.6467 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9325 1.3402 -0.7166 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6294 0.8996 -1.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8697 1.2208 -0.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1335 0.7938 -1.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3192 0.6847 -0.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3227 -0.1843 0.4622 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5154 -0.1324 1.0373 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2661 0.7371 0.3317 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5455 1.3030 -0.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.6636 0.9474 0.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.5655 0.3166 -0.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.2536 1.1093 -1.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.0556 0.5165 -2.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.1770 -0.8697 -2.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.5061 -1.6678 -1.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.7037 -1.0784 -0.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5939 -3.6130 0.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9561 -1.9165 -1.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7296 -0.4031 -2.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3759 -2.0762 -2.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5103 -1.9245 -0.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4613 -0.6603 -2.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8854 0.8041 -1.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2153 3.3290 2.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.1227 1.6199 3.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.5655 0.5870 1.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.3026 -1.2957 0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.6632 -2.0590 -1.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0577 -0.7130 1.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5179 0.6943 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9428 -1.5685 1.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0154 -0.3679 0.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1059 0.6943 1.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5939 -0.1638 -1.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6605 1.4613 -2.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9215 2.2962 -0.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8240 0.7079 0.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9757 -0.1887 -1.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3296 1.4992 -2.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9680 2.0202 -1.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8568 0.5222 1.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8201 2.0298 0.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.1687 2.1931 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.5807 1.1372 -2.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.7980 -1.3316 -3.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.6025 -2.7495 -1.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.1769 -1.7154 0.2761 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 1 |
| 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 1 |
| 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 |
|
|
| $$$$ |
|
|
