| 6dz0_ligand |
| RDKit 3D |
|
|
| 48 50 0 0 0 0 0 0 0 0999 V2000 |
| -7.3724 1.4676 0.0771 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0765 1.2851 0.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5533 2.1929 1.3612 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2881 2.0265 1.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4301 1.0424 1.4666 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2729 0.2207 0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9810 0.1240 0.6447 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4868 -0.8742 -0.6452 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3456 -1.6438 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3899 -1.0562 0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0165 -1.5313 0.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0164 -1.0795 -0.6044 N 0 0 1 0 0 4 0 0 0 0 0 0 |
| -0.8122 0.4139 -0.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4492 0.4736 -1.5605 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.0937 0.0639 -2.8876 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3610 -1.6802 -0.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3485 -0.6064 -0.9560 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 2.2205 -0.0396 0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3310 -1.3023 0.8752 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7262 -1.2317 -0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9199 -0.4262 0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6649 1.0779 0.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8938 1.8011 0.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9053 2.3869 0.9466 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.5568 1.2140 -0.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7109 2.3887 0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9132 2.7897 2.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3657 -1.0860 -1.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3361 -2.5544 -1.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6679 -1.1939 1.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9930 -2.6280 0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3639 -1.3555 -1.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6665 0.8117 0.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6861 0.8458 -1.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8904 1.4743 -1.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7691 0.4118 -3.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4984 -1.9408 0.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3809 -2.5876 -1.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9917 -1.0396 -1.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5924 0.3170 0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8052 0.8172 -0.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3882 -0.8613 -1.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0496 -2.2684 -0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7585 -0.5996 -0.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2473 -0.8160 1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8990 1.2868 1.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2892 1.4559 -0.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.8094 2.8988 1.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 2 3 2 0 |
| 2 6 1 0 |
| 3 4 1 0 |
| 4 5 2 0 |
| 5 7 1 0 |
| 6 7 2 0 |
| 6 8 1 0 |
| 7 10 1 0 |
| 8 9 1 0 |
| 9 10 2 0 |
| 10 11 1 0 |
| 11 12 1 0 |
| 12 13 1 0 |
| 12 16 1 0 |
| 13 14 1 0 |
| 14 15 1 0 |
| 14 17 1 0 |
| 16 17 1 0 |
| 17 18 1 0 |
| 18 19 1 0 |
| 19 20 1 0 |
| 20 21 1 0 |
| 21 22 1 0 |
| 22 23 1 0 |
| 23 24 3 0 |
| 1 25 1 0 |
| 1 26 1 0 |
| 4 27 1 0 |
| 8 28 1 0 |
| 9 29 1 0 |
| 11 30 1 0 |
| 11 31 1 0 |
| 12 32 1 6 |
| 13 33 1 0 |
| 13 34 1 0 |
| 14 35 1 6 |
| 15 36 1 0 |
| 16 37 1 0 |
| 16 38 1 0 |
| 17 39 1 6 |
| 18 40 1 0 |
| 18 41 1 0 |
| 20 42 1 0 |
| 20 43 1 0 |
| 21 44 1 0 |
| 21 45 1 0 |
| 22 46 1 0 |
| 22 47 1 0 |
| 24 48 1 0 |
| M CHG 1 12 1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
