| 6cf7_ligand | |
| RDKit 3D | |
| 68 73 0 0 0 0 0 0 0 0999 V2000 | |
| 8.6928 0.0009 -0.8709 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.0933 -0.7585 0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.1248 -1.2658 1.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.7722 -0.9962 0.8767 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.4316 -0.2438 -0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7457 -1.5282 2.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2974 -0.2905 0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9397 -0.3917 0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.8389 -1.1970 0.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.5667 -0.6819 -0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.5968 -0.0322 -1.2127 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.4410 -1.0564 0.5385 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.3420 0.2788 -1.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.0734 -0.1248 -0.2565 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.6378 -1.3557 1.5616 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6613 -0.8184 0.8524 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2236 -0.8726 1.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3813 -1.5761 2.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4678 -1.0265 1.6214 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0479 0.2459 -0.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3937 0.9869 -1.3072 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4347 0.0161 -0.3313 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2799 0.5436 -1.4089 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6436 1.0643 -0.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0447 -1.0028 0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5704 -1.1020 0.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1410 0.2990 0.3008 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -5.6427 0.3632 0.5780 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -6.2606 1.7357 0.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.7706 2.2925 1.7241 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.2023 2.6084 -0.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.7587 3.7369 -0.0328 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.1135 3.5090 1.2434 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.7885 4.4971 2.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.5091 -0.5392 -0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.9707 -1.7578 0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.7305 -2.6470 -0.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.0479 -2.3381 -1.8307 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.6097 -1.1401 -2.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.8468 -0.2489 -1.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.4220 0.4040 -1.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3920 -1.8560 1.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4286 -1.9937 2.9398 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6269 0.2335 -0.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.6786 -0.5715 0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.7800 -1.1590 1.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.0124 -2.2268 0.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.6002 -1.6162 1.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.0342 0.8659 -1.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9798 -2.0761 3.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4324 -0.2814 -2.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7799 1.3419 -1.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5514 2.1084 -0.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3763 0.9899 -1.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5829 -1.9742 0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8437 -0.7180 1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0106 -1.6152 1.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8479 -1.6186 -0.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7226 0.8051 1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.7134 -0.0126 1.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.8599 4.2874 2.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.4193 4.4345 3.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.5804 5.4897 1.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.7559 -2.0348 1.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.0855 -3.5792 -0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.6479 -3.0257 -2.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.8757 -0.8940 -3.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.5500 0.6815 -2.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2 1 2 0 | |
| 13 1 1 0 | |
| 3 2 1 0 | |
| 2 12 1 0 | |
| 4 3 2 0 | |
| 4 5 1 0 | |
| 15 4 1 0 | |
| 5 13 2 0 | |
| 14 5 1 0 | |
| 17 6 2 0 | |
| 6 18 1 0 | |
| 7 8 2 0 | |
| 17 7 1 0 | |
| 8 19 1 0 | |
| 8 20 1 0 | |
| 10 9 1 0 | |
| 10 11 2 0 | |
| 12 10 1 0 | |
| 16 14 1 0 | |
| 16 15 2 0 | |
| 16 17 1 0 | |
| 18 19 2 0 | |
| 20 21 2 0 | |
| 20 22 1 0 | |
| 22 23 1 0 | |
| 22 25 1 0 | |
| 23 24 1 0 | |
| 24 27 1 0 | |
| 25 26 1 0 | |
| 26 27 1 0 | |
| 27 28 1 0 | |
| 28 29 1 0 | |
| 28 35 1 0 | |
| 29 30 2 0 | |
| 29 31 1 0 | |
| 30 33 1 0 | |
| 31 32 2 0 | |
| 32 33 1 0 | |
| 33 34 1 0 | |
| 35 36 2 0 | |
| 35 40 1 0 | |
| 36 37 1 0 | |
| 37 38 2 0 | |
| 38 39 1 0 | |
| 39 40 2 0 | |
| 1 41 1 0 | |
| 3 42 1 0 | |
| 6 43 1 0 | |
| 7 44 1 0 | |
| 9 45 1 0 | |
| 9 46 1 0 | |
| 9 47 1 0 | |
| 12 48 1 0 | |
| 13 49 1 0 | |
| 18 50 1 0 | |
| 23 51 1 0 | |
| 23 52 1 0 | |
| 24 53 1 0 | |
| 24 54 1 0 | |
| 25 55 1 0 | |
| 25 56 1 0 | |
| 26 57 1 0 | |
| 26 58 1 0 | |
| 27 59 1 0 | |
| 28 60 1 1 | |
| 34 61 1 0 | |
| 34 62 1 0 | |
| 34 63 1 0 | |
| 36 64 1 0 | |
| 37 65 1 0 | |
| 38 66 1 0 | |
| 39 67 1 0 | |
| 40 68 1 0 | |
| M CHG 1 27 1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |