| 6e3z_ligand |
| RDKit 3D |
|
|
| 45 47 0 0 0 0 0 0 0 0999 V2000 |
| -1.9562 -0.4538 -2.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1339 0.2582 0.9002 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8148 -1.4784 0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2295 -0.5366 -0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3947 -0.6251 0.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6203 1.3368 -0.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0953 -1.3683 -0.8130 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 3.8956 2.1115 -0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8247 2.2181 1.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2677 3.3467 0.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4803 3.8661 -0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2696 3.2467 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5192 -1.6639 1.6053 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5045 -2.6088 1.7368 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6385 -2.5121 0.9488 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2909 -3.5549 -1.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3455 -3.1195 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3676 -0.9522 -0.0096 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -2.2803 -0.0049 1.9075 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6427 1.3012 0.1985 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3030 0.6639 1.4470 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5758 -3.4589 1.0931 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4588 0.2880 0.5895 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6610 1.5834 0.9520 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3060 -2.7337 -1.4235 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3876 -4.7618 -1.6162 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 1.8462 1.6111 -1.2128 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8905 -2.0714 0.7455 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7546 4.0899 0.9864 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3507 3.9593 -2.0558 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8504 -0.5217 -2.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8178 0.5998 -1.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1085 -0.7602 -2.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1274 0.2979 -0.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4079 1.7796 2.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8075 4.7529 -0.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4060 -1.7534 2.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5996 -3.4202 2.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6345 -3.9607 0.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2377 -2.7823 -0.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1590 -0.6662 -0.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2393 0.1792 1.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5901 -3.0605 -2.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1394 -5.3915 -1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7043 -5.1230 -2.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7 1 1 6 |
| 18 2 1 0 |
| 2 19 1 0 |
| 2 20 1 0 |
| 2 21 1 0 |
| 3 4 2 0 |
| 7 3 1 0 |
| 3 15 1 0 |
| 4 5 1 0 |
| 5 13 2 0 |
| 5 23 1 0 |
| 6 8 1 0 |
| 23 6 1 0 |
| 6 27 2 0 |
| 7 18 1 0 |
| 25 7 1 0 |
| 8 12 1 0 |
| 8 24 2 0 |
| 9 10 2 0 |
| 24 9 1 0 |
| 11 10 1 0 |
| 10 29 1 0 |
| 12 11 2 0 |
| 12 30 1 0 |
| 14 13 1 0 |
| 15 14 2 0 |
| 15 22 1 0 |
| 16 17 1 0 |
| 16 25 1 0 |
| 16 26 2 0 |
| 17 28 1 0 |
| 18 28 1 0 |
| 1 31 1 0 |
| 1 32 1 0 |
| 1 33 1 0 |
| 4 34 1 0 |
| 9 35 1 0 |
| 11 36 1 0 |
| 13 37 1 0 |
| 14 38 1 0 |
| 17 39 1 0 |
| 17 40 1 0 |
| 18 41 1 6 |
| 23 42 1 0 |
| 25 43 1 0 |
| 26 44 1 0 |
| 26 45 1 0 |
| M CHG 1 26 1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
