| 6a73_ligand | |
| RDKit 3D | |
| 42 42 0 0 0 0 0 0 0 0999 V2000 | |
| -1.6408 0.0832 0.0407 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -0.5589 1.3632 -0.4731 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 0.7824 1.2575 0.5859 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| 1.7733 -0.0506 -0.0189 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 0.7843 -1.4114 -0.4227 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -0.6807 -1.3103 0.4498 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -2.8290 -0.1555 -0.8484 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4726 -0.0457 -0.4759 P 0 0 0 0 0 6 0 0 0 0 0 0 | |
| -5.1925 0.6595 -1.6536 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -5.0844 -1.4605 -0.4201 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.7217 0.7150 0.8326 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1937 2.7132 -0.5893 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1806 3.7870 -1.8897 P 0 0 0 0 0 6 0 0 0 0 0 0 | |
| -2.0701 5.0011 -1.4926 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 0.2363 4.2988 -2.1812 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7701 3.1453 -3.1518 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5216 2.5262 0.8716 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6181 3.3728 2.3284 P 0 0 0 0 0 6 0 0 0 0 0 0 | |
| 2.7151 4.4626 2.1570 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 2.0027 2.4467 3.4873 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2931 4.0771 2.6525 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8783 -0.4103 0.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5293 -0.6046 0.7026 P 0 0 0 0 0 6 0 0 0 0 0 0 | |
| 5.2329 -0.4186 2.0745 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 5.0825 0.4130 -0.3027 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8304 -2.0472 0.2691 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5606 -1.5806 -1.8998 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1799 -2.7176 -2.9717 P 0 0 0 0 0 6 0 0 0 0 0 0 | |
| 0.1067 -2.9644 -4.0625 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 1.5103 -4.0485 -2.2908 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4046 -2.1223 -3.6902 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4195 -2.5998 0.6355 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5061 -3.5602 2.0126 P 0 0 0 0 0 6 0 0 0 0 0 0 | |
| -2.0869 -2.7689 3.1926 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -2.4393 -4.7610 1.6941 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1241 -4.1204 2.3646 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0734 0.4271 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2246 1.1083 -1.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4129 0.9444 1.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2650 0.3053 -0.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3050 -2.3140 -0.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3362 -1.0896 1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 2 1 0 | |
| 1 6 1 0 | |
| 1 7 1 0 | |
| 2 3 1 0 | |
| 2 12 1 0 | |
| 3 4 1 0 | |
| 3 17 1 0 | |
| 4 5 1 0 | |
| 4 22 1 0 | |
| 5 6 1 0 | |
| 5 27 1 0 | |
| 6 32 1 0 | |
| 7 8 1 0 | |
| 8 9 1 0 | |
| 8 10 2 0 | |
| 8 11 2 0 | |
| 12 13 1 0 | |
| 13 14 1 0 | |
| 13 15 2 0 | |
| 13 16 2 0 | |
| 17 18 1 0 | |
| 18 19 1 0 | |
| 18 20 2 0 | |
| 18 21 2 0 | |
| 22 23 1 0 | |
| 23 24 1 0 | |
| 23 25 2 0 | |
| 23 26 2 0 | |
| 27 28 1 0 | |
| 28 29 1 0 | |
| 28 30 2 0 | |
| 28 31 2 0 | |
| 32 33 1 0 | |
| 33 34 1 0 | |
| 33 35 2 0 | |
| 33 36 2 0 | |
| 1 37 1 1 | |
| 2 38 1 6 | |
| 3 39 1 1 | |
| 4 40 1 6 | |
| 5 41 1 1 | |
| 6 42 1 1 | |
| M CHG 8 8 1 9 -1 13 1 14 -1 18 1 19 -1 23 1 24 -1 | |
| M CHG 4 28 1 29 -1 33 1 34 -1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |