| 6e3o_ligand | |
| RDKit 3D | |
| 31 32 0 0 0 0 0 0 0 0999 V2000 | |
| 3.0998 2.5243 -0.9729 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 3.5285 1.5342 -0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7186 1.3196 0.0923 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5557 0.4172 0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2821 0.6788 0.1368 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1915 -0.9411 0.2210 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| 4.0761 -0.9439 1.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1593 -2.0381 0.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4324 -3.2408 0.3834 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7533 -1.6414 0.5405 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4254 -0.3488 0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0028 -0.0022 0.6053 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5212 0.0093 1.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8642 0.3028 2.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7081 0.5903 1.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2078 0.5926 -0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8540 0.3066 -0.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3746 0.3247 -1.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5133 -1.0369 -2.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7699 -1.1697 -0.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6848 -0.1850 1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0409 -2.4278 0.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8658 -0.1994 2.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2442 0.3142 3.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.7534 0.8240 1.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8786 0.8291 -1.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9572 1.0627 -2.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3381 0.6704 -1.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1745 -0.9849 -3.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5554 -1.3740 -2.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9159 -1.7977 -2.0654 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 17 1 0 | |
| 13 14 1 0 | |
| 14 15 2 0 | |
| 15 16 1 0 | |
| 16 17 2 0 | |
| 17 18 1 0 | |
| 18 19 1 0 | |
| 6 20 1 6 | |
| 7 21 1 0 | |
| 10 22 1 0 | |
| 13 23 1 0 | |
| 14 24 1 0 | |
| 15 25 1 0 | |
| 16 26 1 0 | |
| 18 27 1 0 | |
| 18 28 1 0 | |
| 19 29 1 0 | |
| 19 30 1 0 | |
| 19 31 1 0 | |
| M CHG 1 1 -1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |