| 6e4c_ligand | |
| RDKit 3D | |
| 34 36 0 0 0 0 0 0 0 0999 V2000 | |
| -3.7608 1.3834 -2.6101 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -4.3039 1.2201 -1.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4641 1.5956 -1.1082 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5261 0.4778 -0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2297 0.3754 -0.5006 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3645 -0.0873 0.7228 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -5.0388 0.9467 1.4322 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5451 -0.9241 1.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0315 -1.6012 2.5911 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0816 -0.9114 1.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5404 -0.2789 0.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0605 -0.2633 0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6739 0.9427 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0066 2.2822 0.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0730 0.9034 0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6276 -1.4809 0.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0178 -1.5092 0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7445 -0.3165 0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2063 -0.3816 -0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9306 -1.4416 0.0697 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2691 -1.0229 -0.2118 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.1938 0.3076 -0.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.1345 1.0128 -0.8646 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9154 0.7000 -0.4346 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.1149 -0.7532 0.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.5399 1.4215 0.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5087 -1.4153 2.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.4698 2.5623 -0.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7641 2.2671 1.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7109 3.0652 0.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6184 1.8419 0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0762 -2.4188 0.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5203 -2.4667 -0.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6011 1.6208 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 2 1 0 | |
| 2 3 2 0 | |
| 2 4 1 0 | |
| 4 5 2 0 | |
| 4 6 1 0 | |
| 5 11 1 0 | |
| 6 7 1 0 | |
| 6 8 1 0 | |
| 8 9 2 0 | |
| 8 10 1 0 | |
| 10 11 2 0 | |
| 11 12 1 0 | |
| 12 13 2 0 | |
| 12 16 1 0 | |
| 13 14 1 0 | |
| 13 15 1 0 | |
| 15 18 2 0 | |
| 16 17 2 0 | |
| 17 18 1 0 | |
| 18 19 1 0 | |
| 19 20 2 0 | |
| 19 24 1 0 | |
| 20 21 1 0 | |
| 21 22 1 0 | |
| 22 23 2 0 | |
| 22 24 1 0 | |
| 6 25 1 6 | |
| 7 26 1 0 | |
| 10 27 1 0 | |
| 14 28 1 0 | |
| 14 29 1 0 | |
| 14 30 1 0 | |
| 15 31 1 0 | |
| 16 32 1 0 | |
| 17 33 1 0 | |
| 24 34 1 0 | |
| M CHG 1 1 -1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |