| 6bqd_ligand |
| RDKit 3D |
|
|
| 46 48 0 0 0 0 0 0 0 0999 V2000 |
| -3.3679 1.3483 0.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2829 -0.2981 -1.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2864 0.0934 0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5317 -0.8174 -0.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1372 -1.5303 -1.6658 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6590 -2.5128 -2.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7077 -2.8258 -3.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4488 -1.2610 -1.9875 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9173 0.6920 1.7502 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7684 -0.1920 3.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2227 0.4583 1.9614 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6204 0.3669 -0.2583 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7925 -2.0590 -3.0448 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4467 -0.0903 -1.6422 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8523 -1.0259 -0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2259 -2.2582 0.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5263 -2.4641 0.9189 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4695 -1.4420 0.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1108 -0.2204 0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8042 -0.0032 -0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0837 0.8915 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7509 1.9661 0.6603 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3198 0.6688 -0.4387 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3100 1.7299 -0.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5999 -0.4141 -1.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7055 2.1763 0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1705 1.7755 -0.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8883 0.6559 0.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3309 -2.9484 -2.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7761 -3.5241 -4.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1915 0.4071 2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3018 -1.1087 2.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9815 -0.4523 3.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4720 0.4825 3.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9495 0.7349 1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7047 -2.0658 -3.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4964 -3.0621 0.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7972 -3.4175 1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4742 -1.5929 1.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5388 0.9626 -0.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2676 2.3027 -1.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1254 2.4037 0.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3035 1.2869 -0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7386 -1.0613 -1.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4318 -1.0052 -0.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8878 0.0189 -2.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 9 1 0 |
| 12 1 1 0 |
| 2 8 1 0 |
| 12 2 1 0 |
| 2 14 2 0 |
| 3 4 2 0 |
| 3 12 1 0 |
| 4 5 1 0 |
| 4 15 1 0 |
| 5 6 1 0 |
| 5 8 2 0 |
| 6 7 2 0 |
| 7 13 1 0 |
| 8 13 1 0 |
| 9 11 2 0 |
| 11 10 1 0 |
| 15 16 2 0 |
| 15 20 1 0 |
| 16 17 1 0 |
| 17 18 2 0 |
| 18 19 1 0 |
| 19 20 2 0 |
| 19 21 1 0 |
| 21 22 2 0 |
| 21 23 1 0 |
| 23 24 1 0 |
| 23 25 1 0 |
| 1 26 1 0 |
| 1 27 1 0 |
| 3 28 1 0 |
| 6 29 1 0 |
| 7 30 1 0 |
| 9 31 1 0 |
| 10 32 1 0 |
| 10 33 1 0 |
| 10 34 1 0 |
| 11 35 1 0 |
| 13 36 1 0 |
| 16 37 1 0 |
| 17 38 1 0 |
| 18 39 1 0 |
| 20 40 1 0 |
| 24 41 1 0 |
| 24 42 1 0 |
| 24 43 1 0 |
| 25 44 1 0 |
| 25 45 1 0 |
| 25 46 1 0 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
