| 6e4c_ligand | |
| RDKit 3D | |
| 34 36 0 0 0 0 0 0 0 0999 V2000 | |
| -3.6371 2.5815 -1.9222 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -4.2150 1.9926 -0.9614 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.3748 2.2191 -0.4863 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4930 0.8370 -0.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1896 0.7972 -0.3061 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3938 -0.1901 0.3535 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -5.1124 0.3759 1.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6245 -1.4125 0.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1581 -2.4516 1.2033 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1545 -1.3447 0.7978 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5557 -0.2608 0.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0727 -0.2259 0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7282 -0.2315 1.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1362 -0.2497 2.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1299 -0.2224 1.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5504 -0.1558 -0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9413 -0.1232 -1.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7372 -0.1583 0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2081 -0.1245 -0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.0145 -0.4208 0.9258 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3266 -0.2300 0.3893 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.1536 0.1963 -0.9024 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.0487 0.4896 -1.6792 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8393 0.2414 -1.1649 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.1139 -0.5280 -0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.5612 1.1610 1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6248 -2.1924 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1790 -1.2634 3.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7173 0.4320 2.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8665 0.0833 3.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7523 -0.2414 2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0658 -0.1122 -1.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3635 -0.0801 -2.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4622 0.5769 -2.0325 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 | |
| $$$$ | |