| 6e13_ligand | |
| RDKit 3D | |
| 37 37 0 0 0 0 0 0 0 0999 V2000 | |
| -2.3677 1.7024 -1.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.9976 0.2665 -1.2976 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -2.0984 -0.8572 -1.8173 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0127 -1.4062 -0.9152 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6759 -0.8429 0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4574 -1.2606 1.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3316 0.6713 1.6974 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9714 1.5085 0.4663 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 3.2158 2.3955 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1900 -2.3464 0.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8261 -2.9598 -0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2492 -2.4911 -1.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2458 0.3334 -2.1917 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 0.7621 2.3804 0.6971 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -1.2733 1.8881 -0.6918 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -3.1533 2.5110 -1.8703 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8888 3.6260 0.1694 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 4.3164 1.8163 0.0452 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2808 -2.8438 1.2235 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5462 -4.0188 -1.1044 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9555 -0.3023 2.4530 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.3892 0.0483 -0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6099 -0.5114 -2.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7350 -1.7098 -2.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2510 -0.0194 0.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7151 1.3184 2.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1362 -0.0329 1.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.7579 0.8996 -0.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.4698 -2.9670 -2.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3742 1.3781 -2.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0744 0.0425 -3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0908 -0.0693 -1.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0320 2.1957 0.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1207 3.3302 0.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4202 2.4146 1.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3641 -2.3366 2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2741 -4.1352 -0.4595 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 | |
| $$$$ | |