| 6dz3_ligand |
| RDKit 3D |
|
|
| 64 67 0 0 0 0 0 0 0 0999 V2000 |
| -3.8967 1.7740 -1.8579 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7110 1.2346 -1.2507 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -3.1383 0.3711 -0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6318 -0.8669 -0.7669 N 0 0 2 0 0 4 0 0 0 0 0 0 |
| -3.9828 -2.0213 0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2544 -1.7910 0.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4103 -1.1697 0.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5652 -0.6698 -0.9377 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7736 -0.0990 -1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.7630 0.0398 -0.2102 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5893 -0.4678 1.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.6066 -0.3175 1.9470 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3810 -1.0882 1.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8603 -1.6733 2.4177 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5687 -2.0951 2.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6332 -1.1380 -1.8512 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1031 0.2472 -2.2589 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.5736 0.3431 -2.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3261 -0.1660 -0.8582 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3537 1.3231 -0.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3967 1.6460 -1.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4408 0.5576 -1.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4017 0.3059 -0.7811 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4032 1.0378 0.3784 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3925 0.6036 1.1477 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0284 -0.3670 0.4727 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4302 -0.6083 -0.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.2298 -0.9803 1.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.4616 -0.1072 0.7652 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.9698 -1.1336 2.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.7778 -0.8270 1.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0951 2.6322 -1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0501 2.0646 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3146 0.0859 0.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9738 0.8009 0.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5139 -0.5822 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1389 -2.1844 0.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0894 -2.9021 -0.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9759 0.3033 -2.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.4369 0.0546 1.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.7813 -1.1136 2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3485 -1.7253 3.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9944 -2.5674 2.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1628 -1.6441 -2.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8729 -1.8122 -1.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4961 0.4732 -3.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2285 -0.3125 -3.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3081 1.3694 -2.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8370 1.1704 0.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6757 2.1804 -0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9108 2.5713 -1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8843 1.8760 -2.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0287 0.8717 -2.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9522 -0.3817 -2.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7919 -1.3468 -1.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3449 -1.9571 0.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0583 -1.1549 2.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.4800 0.2245 -0.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.3875 0.8074 1.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.8770 -0.2298 3.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.9658 -1.5598 2.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.2335 -1.8594 2.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.6060 -0.1959 0.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.8332 -1.7589 0.4937 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 31 1 0 |
| 31 30 1 0 |
| 1 32 1 0 |
| 2 33 1 1 |
| 3 34 1 0 |
| 3 35 1 0 |
| 4 36 1 6 |
| 5 37 1 0 |
| 5 38 1 0 |
| 9 39 1 0 |
| 12 40 1 0 |
| 12 41 1 0 |
| 14 42 1 0 |
| 15 43 1 0 |
| 16 44 1 0 |
| 16 45 1 0 |
| 17 46 1 6 |
| 18 47 1 0 |
| 18 48 1 0 |
| 20 49 1 0 |
| 20 50 1 0 |
| 21 51 1 0 |
| 21 52 1 0 |
| 22 53 1 0 |
| 22 54 1 0 |
| 27 55 1 0 |
| 28 56 1 0 |
| 28 57 1 0 |
| 29 58 1 0 |
| 29 59 1 0 |
| 30 60 1 0 |
| 30 61 1 0 |
| 30 62 1 0 |
| 31 63 1 0 |
| 31 64 1 0 |
| M CHG 1 4 1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
