| 5zlf_ligand |
| RDKit 3D |
|
|
| 44 47 0 0 0 0 0 0 0 0999 V2000 |
| 4.6619 -0.2452 0.6551 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0134 -0.4279 1.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9910 -0.3580 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6386 -0.1125 -1.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3022 0.0709 -1.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3554 -0.0039 -0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0177 0.1464 -0.8392 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4285 0.0045 0.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4147 -0.2436 1.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0312 -0.4320 2.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6757 -0.3657 3.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7191 -0.1143 2.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0523 0.0815 0.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0194 0.3461 -0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2402 -0.2744 -0.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2035 1.2702 -1.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8373 1.5827 -2.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0843 0.9772 -2.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2938 0.0360 -1.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6585 -0.5967 -0.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6910 0.2013 -0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7447 -0.6832 1.8462 P 0 0 0 0 0 6 0 0 0 0 0 0 |
| -5.6117 -1.9390 1.8246 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| -5.2396 0.4728 2.7326 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2686 -1.0116 2.1633 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3007 0.5714 -1.4266 P 0 0 0 0 0 6 0 0 0 0 0 0 |
| -5.6262 1.3311 -2.5963 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| -7.3359 1.4448 -0.7076 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8175 -0.7937 -1.9028 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2671 1.5547 0.3065 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2885 -0.6216 2.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.0357 -0.4996 0.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4106 -0.0648 -2.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0006 0.2591 -2.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7653 -0.6325 3.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3379 -0.5146 4.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3364 -0.0696 2.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4612 -0.9794 0.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1433 1.8010 -1.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7049 2.3335 -3.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9311 1.2622 -2.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0683 -0.8043 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5380 -1.5966 -0.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7772 1.6010 1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 2 0 |
| 1 6 1 0 |
| 1 9 1 0 |
| 2 3 1 0 |
| 3 4 2 0 |
| 4 5 1 0 |
| 5 6 2 0 |
| 6 7 1 0 |
| 7 8 1 0 |
| 8 9 2 0 |
| 8 13 1 0 |
| 9 10 1 0 |
| 10 11 2 0 |
| 11 12 1 0 |
| 12 13 2 0 |
| 13 14 1 0 |
| 14 15 2 0 |
| 14 16 1 0 |
| 15 19 1 0 |
| 16 17 2 0 |
| 17 18 1 0 |
| 18 19 2 0 |
| 19 20 1 0 |
| 20 21 1 0 |
| 21 22 1 0 |
| 21 26 1 0 |
| 21 30 1 0 |
| 22 23 1 0 |
| 22 24 2 0 |
| 22 25 2 0 |
| 26 27 1 0 |
| 26 28 2 0 |
| 26 29 2 0 |
| 2 31 1 0 |
| 3 32 1 0 |
| 4 33 1 0 |
| 5 34 1 0 |
| 10 35 1 0 |
| 11 36 1 0 |
| 12 37 1 0 |
| 15 38 1 0 |
| 16 39 1 0 |
| 17 40 1 0 |
| 18 41 1 0 |
| 20 42 1 0 |
| 20 43 1 0 |
| 30 44 1 0 |
| M CHG 4 22 1 23 -1 26 1 27 -1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
