| 5ze6_ligand |
| RDKit 3D |
|
|
| 58 58 0 0 0 0 0 0 0 0999 V2000 |
| -8.3521 0.2819 0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2658 -1.8610 1.9445 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 8.4725 -1.4048 1.8169 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.4242 -0.1506 -0.1009 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1628 -0.4644 -2.9204 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2560 -0.1290 -2.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1042 -1.1649 -2.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.5838 1.1994 -0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1760 2.5284 0.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2628 2.4216 1.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9629 1.6358 1.1226 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0197 2.2779 0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7576 1.4487 -0.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8650 1.2802 1.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4918 0.6785 0.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5678 -0.7636 0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7974 -1.3422 -0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7224 -1.5776 1.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0029 -2.3153 0.6551 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0165 -1.4271 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0683 -2.2668 -0.5511 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3085 -1.5290 1.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2820 -0.4941 -0.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1244 -1.5089 -0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.2188 -1.1838 -0.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.2574 0.7742 0.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7405 -0.0156 1.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.6536 -0.6321 -0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.3243 -0.5749 0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1423 -0.1991 -3.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.1012 0.4027 -2.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2575 -1.4581 -2.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7022 0.6762 -0.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.2166 1.4154 -1.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6907 3.1498 -0.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.0825 3.0718 0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0158 3.4374 1.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8216 1.9615 2.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1860 0.6022 0.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4579 1.5806 2.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5380 2.4043 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7351 3.2807 0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0549 0.4683 -0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1849 1.9427 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3640 0.6505 1.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7071 2.2595 1.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1123 0.7118 1.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0180 1.3085 0.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0412 -1.4003 0.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2024 -0.8048 -0.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2770 -0.6805 -0.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6252 -2.3007 -0.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9783 -0.6281 1.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1915 -2.1839 1.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4779 -2.7138 1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7658 -3.1903 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5496 -0.9169 -0.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3932 -0.6670 0.6314 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 |
|
|
| $$$$ |
|
|
