| 6bqd_ligand |
| RDKit 3D |
|
|
| 46 48 0 0 0 0 0 0 0 0999 V2000 |
| -3.3181 -0.8801 1.6959 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2291 -1.5467 -0.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2770 -0.4611 0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5365 -0.4925 -0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1272 -1.0666 -1.9349 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6564 -1.2699 -3.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6819 -1.8787 -3.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4110 -1.5587 -1.8581 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9466 0.4810 1.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8921 2.0607 1.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2682 0.7082 1.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5824 -0.9704 0.4428 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7454 -2.0488 -3.0912 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3677 -2.0058 -0.6529 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8160 0.1003 -0.7089 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1107 1.2491 -1.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3806 1.8297 -1.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3724 1.2605 -0.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0926 0.0996 0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8163 -0.4709 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1180 -0.5033 1.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8193 -0.6675 2.1817 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3611 -0.8340 0.4644 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6208 -1.0360 -0.9548 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3953 -1.2976 1.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6327 -1.0440 2.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0753 -1.6710 1.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8900 -0.0245 1.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3137 -1.0100 -3.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7469 -2.2079 -4.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2664 1.3147 1.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1478 2.8489 1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5896 2.0824 2.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4489 2.2891 0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9494 -0.1250 1.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6380 -2.4709 -3.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3429 1.7063 -2.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5898 2.7305 -1.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3534 1.7247 -0.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6122 -1.3598 0.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9499 -2.0689 -1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4182 -0.3538 -1.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7391 -0.8727 -1.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4046 -2.3916 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3646 -0.9184 1.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2169 -0.9491 2.3941 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 |
|
|
| $$$$ |
|
|
