| 6e4c_ligand | |
| RDKit 3D | |
| 34 36 0 0 0 0 0 0 0 0999 V2000 | |
| -4.4030 1.4792 -2.8633 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -4.0471 1.7027 -1.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2773 2.7373 -1.0039 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2730 0.5329 -1.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0100 0.6946 -0.7594 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0413 -0.7539 -0.8952 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -5.3121 -0.5777 -0.2877 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2510 -1.7887 -0.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7850 -2.7974 0.3377 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8113 -1.5698 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3070 -0.3709 -0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1432 -0.1647 -0.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7108 0.0332 1.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1270 0.0678 2.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1044 0.1909 1.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9748 -0.1636 -1.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3569 0.0097 -1.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9285 0.1866 0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3805 0.3677 0.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9925 0.3484 1.5227 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3703 0.5740 1.2116 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.4352 0.7219 -0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.4451 0.9494 -0.7957 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2002 0.5798 -0.6541 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.8633 2.3051 -3.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2009 -1.1526 -1.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.5619 -1.4462 0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2297 -2.3837 0.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.4606 -0.9414 2.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9969 0.7192 2.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4407 0.4646 3.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5500 0.3318 2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5421 -0.2966 -2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9558 -0.0099 -1.9667 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 | |
| $$$$ | |