| 6dyz_ligand |
| RDKit 3D |
|
|
| 42 44 0 0 0 0 0 0 0 0999 V2000 |
| -0.0953 -0.4567 -3.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9380 0.0849 -2.3098 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 0.3148 0.5398 -0.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0589 -0.7715 -0.2907 N 0 0 1 0 0 4 0 0 0 0 0 0 |
| 1.0795 -1.7665 -0.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8736 -1.0472 -1.8893 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 3.2274 -0.5076 -1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3531 -1.8768 -0.9897 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8508 -0.9219 -0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6632 -0.1122 0.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5361 0.5416 1.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1083 -0.7061 1.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3158 0.0509 1.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5972 -0.0553 1.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9539 -0.8066 -0.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4428 0.9769 2.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7495 1.4103 2.6642 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4675 0.7889 1.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7852 0.8883 1.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7235 1.7011 1.8726 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1606 0.1528 0.2061 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2505 -0.6429 -0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2475 -0.5353 -4.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4258 0.9048 -2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6430 1.0523 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0042 1.1281 -0.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8596 -1.0853 -0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5116 -2.6133 -1.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6831 -2.1038 0.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0382 -1.7360 -2.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0987 0.1286 -0.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6895 0.0899 -2.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6658 -1.6354 -0.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1253 -0.2970 -1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4545 1.1223 2.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8088 -0.2696 1.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1920 -1.7401 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7279 1.3664 3.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1293 2.1051 3.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6490 1.4928 1.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6817 1.7374 2.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6099 -1.2188 -1.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 2 3 1 0 |
| 2 6 1 0 |
| 3 4 1 0 |
| 4 5 1 0 |
| 4 12 1 0 |
| 5 6 1 0 |
| 6 7 1 0 |
| 7 8 1 0 |
| 8 9 1 0 |
| 9 10 1 0 |
| 10 11 3 0 |
| 12 13 1 0 |
| 13 14 1 0 |
| 13 16 2 0 |
| 14 15 2 0 |
| 14 18 1 0 |
| 15 22 1 0 |
| 16 17 1 0 |
| 17 18 1 0 |
| 18 19 2 0 |
| 19 20 1 0 |
| 19 21 1 0 |
| 21 22 2 0 |
| 1 23 1 0 |
| 2 24 1 6 |
| 3 25 1 0 |
| 3 26 1 0 |
| 4 27 1 6 |
| 5 28 1 0 |
| 5 29 1 0 |
| 6 30 1 6 |
| 7 31 1 0 |
| 7 32 1 0 |
| 9 33 1 0 |
| 9 34 1 0 |
| 11 35 1 0 |
| 12 36 1 0 |
| 12 37 1 0 |
| 16 38 1 0 |
| 17 39 1 0 |
| 20 40 1 0 |
| 20 41 1 0 |
| 22 42 1 0 |
| M CHG 1 4 1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
