| 6d5w_ligand |
| RDKit 3D |
|
|
| 38 41 0 0 0 0 0 0 0 0999 V2000 |
| 4.2193 -1.7482 -0.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6040 3.0951 -0.7667 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2749 -0.4448 1.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3788 -1.1286 -1.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6596 3.7109 -1.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8698 3.0278 -1.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6481 -0.2464 0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0754 0.9189 0.3642 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9031 -0.1768 -0.0507 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7990 1.7976 -0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0079 1.1221 -0.5951 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2286 -1.3706 1.1306 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 1.4233 1.2185 0.8278 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8833 -1.2374 0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4010 0.1789 0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0833 -2.6789 -0.9622 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1159 -2.5323 1.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0560 1.7111 -1.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4742 -0.1606 -1.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1782 -1.4123 0.8071 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5892 -2.1461 1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3173 3.6363 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2736 -0.1784 2.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4444 -1.3971 -2.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5494 4.7378 -1.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6702 3.5393 -2.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7250 -1.4144 1.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7504 2.1993 0.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3944 1.2657 1.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8859 -0.8098 0.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8480 -1.8008 -0.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8866 -3.0416 2.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8706 -3.2131 0.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9858 1.1891 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8369 0.3311 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8612 -1.8987 1.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8272 -1.6045 2.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2233 -3.0380 1.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 4 2 0 |
| 1 16 1 0 |
| 20 1 1 0 |
| 2 5 2 0 |
| 10 2 1 0 |
| 15 3 1 0 |
| 3 20 2 0 |
| 4 19 1 0 |
| 5 6 1 0 |
| 18 6 2 0 |
| 8 7 1 0 |
| 7 9 1 0 |
| 7 12 2 0 |
| 8 10 1 0 |
| 13 8 1 0 |
| 11 9 1 0 |
| 9 14 1 0 |
| 10 11 2 0 |
| 11 18 1 0 |
| 12 17 1 0 |
| 13 15 1 0 |
| 14 21 1 0 |
| 15 19 2 0 |
| 17 21 1 0 |
| 2 22 1 0 |
| 3 23 1 0 |
| 4 24 1 0 |
| 5 25 1 0 |
| 6 26 1 0 |
| 12 27 1 0 |
| 13 28 1 0 |
| 13 29 1 0 |
| 14 30 1 0 |
| 14 31 1 0 |
| 17 32 1 0 |
| 17 33 1 0 |
| 18 34 1 0 |
| 19 35 1 0 |
| 20 36 1 0 |
| 21 37 1 0 |
| 21 38 1 0 |
| M CHG 1 12 1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
