| 6dz2_ligand |
| RDKit 3D |
|
|
| 65 69 0 0 0 0 0 0 0 0999 V2000 |
| -3.6536 -1.7834 3.3016 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1368 -1.8177 1.9705 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -4.2092 -1.2922 1.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7790 0.1262 0.7067 N 0 0 2 0 0 4 0 0 0 0 0 0 |
| -4.3782 0.7158 -0.5357 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7356 1.2740 -0.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9460 0.5339 -0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1270 -0.8049 -0.3291 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4169 -1.1624 -0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.4822 -0.3620 0.0089 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.2859 0.9623 0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.3833 1.7925 0.2288 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9869 1.4228 -0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4459 2.6820 -0.0051 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0830 2.6083 -0.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2832 0.0653 0.6995 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9575 -0.8394 1.8791 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.6137 -1.5565 1.7306 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7404 -0.3406 1.7416 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4231 -0.5702 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4361 -1.7156 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7048 -1.5811 0.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6669 -0.5390 0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2553 0.6284 -0.2347 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3226 1.3725 -0.4855 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4019 0.6852 -0.0679 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0408 -0.5159 0.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7201 1.2878 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.4784 0.8809 -1.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2226 1.5137 -2.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.9295 1.1499 -3.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.8929 0.1456 -3.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.1484 -0.4994 -2.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.4449 -0.1347 -1.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0607 -2.3052 3.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8776 -2.8548 1.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1757 -1.8464 0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2134 -1.2734 1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0841 0.7048 1.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3730 -0.0574 -1.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6987 1.5141 -0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.6320 -2.2293 -0.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.2304 1.2291 0.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.4129 2.5776 -0.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9816 3.5296 0.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4856 3.5139 -0.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8979 1.0837 0.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9723 -0.3588 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9339 -0.2307 2.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5884 -2.1635 0.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4617 -2.2355 2.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8662 0.3811 -0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5975 -0.7463 -0.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7256 -1.8181 -1.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9362 -2.6524 0.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4520 -1.3941 1.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2220 -2.5493 0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7578 -1.2095 0.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2519 0.9871 0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.6017 2.3773 -0.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4679 2.2949 -2.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.7296 1.6529 -4.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.4438 -0.1352 -4.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.8988 -1.2858 -2.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.6617 -0.6509 -0.3636 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 |
|
|
| $$$$ |
|
|
