| 6a73_ligand | |
| RDKit 3D | |
| 42 42 0 0 0 0 0 0 0 0999 V2000 | |
| 1.2428 0.4563 -0.3242 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 0.1021 1.4794 -0.4686 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -1.1232 1.1326 0.4153 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -1.5868 -0.3290 0.2298 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -0.4364 -1.3391 0.3929 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| 0.7273 -0.9782 -0.5569 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 1.7917 0.6612 0.9734 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2511 0.2016 1.4078 P 0 0 0 0 0 6 0 0 0 0 0 0 | |
| 3.1637 -1.3684 1.7111 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 3.8663 0.9893 2.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.1541 0.2310 0.0974 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3191 1.5624 -1.8184 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7660 2.9884 -2.3901 P 0 0 0 0 0 6 0 0 0 0 0 0 | |
| -1.7328 3.6563 -1.3226 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -1.8180 2.5474 -3.5197 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3155 3.8569 -2.9206 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8542 1.4308 1.7799 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0810 2.9530 2.2235 P 0 0 0 0 0 6 0 0 0 0 0 0 | |
| -0.7985 3.9793 1.1715 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -2.5473 2.9919 2.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1882 3.1312 3.5296 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1032 -0.4990 -1.0894 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5874 -0.0086 -1.4291 P 0 0 0 0 0 6 0 0 0 0 0 0 | |
| -4.2126 0.9664 -0.4987 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -3.4726 0.4619 -2.9456 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3913 -1.3765 -1.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0081 -1.3638 1.7449 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4176 -2.7684 2.3869 P 0 0 0 0 0 6 0 0 0 0 0 0 | |
| 0.8652 -3.8496 1.4579 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -0.8267 -3.1227 3.3173 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4943 -2.3636 3.4891 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8279 -1.8784 -0.4101 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9475 -3.1681 -1.3622 P 0 0 0 0 0 6 0 0 0 0 0 0 | |
| 1.7088 -2.5979 -2.8310 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 3.2130 -3.9311 -1.2033 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6164 -3.9891 -1.0739 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0157 0.6762 -1.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5164 2.4482 -0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9607 1.7606 0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3655 -0.5626 0.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8184 -2.3315 0.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3630 -1.0360 -1.5885 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 6 | |
| 2 38 1 1 | |
| 3 39 1 6 | |
| 4 40 1 1 | |
| 5 41 1 6 | |
| 6 42 1 6 | |
| 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 | |
| $$$$ | |