| 6e13_ligand | |
| RDKit 3D | |
| 37 37 0 0 0 0 0 0 0 0999 V2000 | |
| -1.9216 1.5958 -1.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8143 0.3632 -0.9576 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -2.3634 -0.8540 -1.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1783 -1.5444 -1.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1136 -1.0396 -1.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2111 -1.5166 -0.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5244 0.5388 0.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7061 1.9898 0.2006 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 2.8403 2.8837 1.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0292 -2.5902 0.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2379 -3.1427 0.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3445 -2.6224 -0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2521 0.7064 -1.3465 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 1.5674 2.4818 -0.6563 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -2.5445 2.3595 -2.1163 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -0.7838 1.7040 -0.7884 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6390 2.5138 2.3537 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 2.0845 3.9034 1.3711 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0560 -3.1310 0.9492 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.4188 -4.1910 1.2507 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7560 -0.6380 -0.7753 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8296 0.1719 0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.1800 -1.5825 -1.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1057 -0.5700 -2.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2525 -0.2050 -2.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2677 0.2526 1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5408 0.4044 1.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6168 2.1354 -0.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3235 -3.0539 -0.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0970 1.4572 -2.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.7233 1.1931 -0.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.8156 -0.0439 -1.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.7476 2.5946 -1.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3743 3.4225 -0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6355 2.0188 -0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8685 -2.6630 0.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4686 -4.3602 1.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2 1 1 0 | |
| 1 15 1 0 | |
| 1 16 2 0 | |
| 3 2 1 0 | |
| 2 13 1 0 | |
| 4 3 1 0 | |
| 5 4 2 0 | |
| 4 12 1 0 | |
| 6 5 1 0 | |
| 6 10 2 0 | |
| 21 6 1 0 | |
| 7 8 1 0 | |
| 7 21 1 0 | |
| 8 9 1 0 | |
| 8 14 1 0 | |
| 9 17 1 0 | |
| 9 18 2 0 | |
| 10 11 1 0 | |
| 10 19 1 0 | |
| 11 12 2 0 | |
| 11 20 1 0 | |
| 2 22 1 1 | |
| 3 23 1 0 | |
| 3 24 1 0 | |
| 5 25 1 0 | |
| 7 26 1 0 | |
| 7 27 1 0 | |
| 8 28 1 6 | |
| 12 29 1 0 | |
| 13 30 1 0 | |
| 13 31 1 0 | |
| 13 32 1 0 | |
| 14 33 1 0 | |
| 14 34 1 0 | |
| 14 35 1 0 | |
| 19 36 1 0 | |
| 20 37 1 0 | |
| M CHG 4 13 1 14 1 15 -1 17 -1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |