| 6cf7_ligand | |
| RDKit 3D | |
| 68 73 0 0 0 0 0 0 0 0999 V2000 | |
| 8.5953 -1.4917 1.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.1099 -0.6272 0.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.2299 0.1029 -0.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.8485 -0.0599 -0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3958 -0.9322 0.6946 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9259 1.2210 -1.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3169 -0.5723 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9845 -0.2842 -0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.8871 -0.6261 0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.5453 -1.0391 0.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.4696 -1.8438 1.7274 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.4913 -0.4387 0.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.2158 -1.6686 1.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.0333 -0.9223 0.6642 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7793 0.5149 -0.9220 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7305 -0.0331 -0.3351 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3129 0.2002 -0.5909 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5765 1.4353 -1.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5950 0.7134 -1.0970 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0802 -1.1396 0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2420 -2.2455 0.8068 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4116 -0.6965 0.4694 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3672 -1.5821 1.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8001 -1.4582 0.5938 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8233 0.6960 0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2153 1.0057 0.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2198 -0.0147 0.3308 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -5.6507 0.2875 0.7914 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -6.1558 1.6568 0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.6594 2.5377 1.3072 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.9651 2.1898 -0.8221 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.4175 3.4332 -0.7710 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.8722 3.5909 0.4860 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.4507 4.8289 0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.6850 -0.6757 0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.5393 -1.3652 1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.4851 -2.2708 0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.5966 -2.5003 -0.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.7661 -1.8228 -1.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.8160 -0.9171 -1.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.2549 -2.0621 1.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.5869 0.7839 -1.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6667 1.8404 -1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5716 -1.3892 0.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.1648 -1.3041 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.6378 -0.6817 1.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.8659 0.4026 -0.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.7356 0.1990 -0.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.8213 -2.3397 2.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2442 2.2196 -2.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3466 -1.3269 2.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0524 -2.6290 1.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4958 -1.9084 1.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8909 -1.9719 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0868 1.3621 0.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8424 0.8771 -0.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5325 2.0014 0.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2274 0.9520 1.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2348 0.1050 -0.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.6147 0.1971 1.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.3834 4.9894 0.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.7420 5.6345 0.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.6486 4.7686 2.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.4899 -1.2024 2.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.1452 -2.7947 1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.3417 -3.1996 -1.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.8721 -1.9937 -2.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.2039 -0.3917 -1.8872 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 | |
| $$$$ | |