| 6dz2_ligand | |
| RDKit 3D | |
| 65 69 0 0 0 0 0 0 0 0999 V2000 | |
| -2.0108 -3.2967 0.3792 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3768 -1.9718 -0.0341 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -3.8735 -1.8008 0.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9180 -1.7643 1.7167 N 0 0 2 0 0 4 0 0 0 0 0 0 | |
| -5.2213 -1.3710 2.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.7663 -0.0569 1.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.6530 0.1363 0.8154 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.1376 -0.7841 -0.0438 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.9326 -0.2472 -0.9872 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.2501 1.0479 -1.1583 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.7602 1.9501 -0.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.0906 3.2813 -0.4699 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.9393 1.4862 0.7188 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.2576 2.1191 1.7267 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.5457 1.1963 2.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6749 -1.0484 2.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7491 -0.9786 0.9491 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -1.6535 0.4702 0.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7324 0.6382 -1.1183 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9759 0.3689 -0.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6959 1.6952 -0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0069 1.5180 0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.9458 0.5539 -0.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8073 -0.7908 0.0942 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7546 -1.4207 -0.5862 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5066 -0.4862 -1.2000 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.0106 0.7667 -0.9717 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.6082 -0.8872 -2.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.8596 -0.0842 -1.8066 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.2852 0.8817 -2.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.4396 1.6295 -2.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.1827 1.4157 -1.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.7724 0.4562 -0.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.6162 -0.2905 -0.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1737 -3.5196 -0.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1117 -1.8433 -1.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4749 -2.6532 -0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2443 -0.8545 -0.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7647 -2.7528 1.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.9257 -2.1778 2.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0659 -1.3906 3.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.3693 -0.9393 -1.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.3099 3.7852 0.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.8079 3.3602 -1.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.2657 3.1200 1.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.9532 1.5220 3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2440 -1.6606 2.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.9416 -0.0670 2.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7524 -1.3183 1.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1852 1.1092 1.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6539 0.8825 0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9716 -0.2540 0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4927 -0.1929 -1.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0586 2.3770 0.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9038 2.1806 -1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4958 2.4949 0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7774 1.1794 1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4557 1.6569 -1.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2574 -0.7769 -3.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.8102 -1.9513 -1.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.7250 1.0604 -3.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.7657 2.3739 -3.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.0880 1.9925 -1.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.3604 0.2870 0.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3121 -1.0368 0.0909 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 | |
| $$$$ | |