| 6cf7_ligand | |
| RDKit 3D | |
| 68 73 0 0 0 0 0 0 0 0999 V2000 | |
| 8.7510 0.2138 1.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.1161 -0.6523 0.5146 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.1266 -1.1985 -0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.7852 -0.8655 -0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.4800 -0.0115 0.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7263 -1.4477 -1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3407 0.0456 0.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9774 -0.0588 0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.5913 -1.7999 -0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.0954 -1.7272 -0.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.5413 -2.3147 -1.5084 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.4937 -0.9276 0.3704 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.4151 0.5591 1.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1255 0.1494 0.9978 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.6303 -1.2482 -0.7138 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6793 -0.6246 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2378 -0.6675 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3577 -1.4875 -1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4707 -0.8166 -0.7313 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0195 0.7254 1.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4791 1.6186 1.8486 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3630 0.4571 1.1397 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9664 -0.7433 0.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4562 -0.9094 0.8899 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1882 1.2071 2.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5961 1.5255 1.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1602 0.4149 0.6745 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -5.6859 0.3293 0.7556 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -6.4025 1.6226 0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.3489 2.1535 1.2661 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0081 2.4622 -0.5357 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.7764 3.5370 -0.4487 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.5829 3.3098 0.6034 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.6089 4.2369 1.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.2853 -0.6753 -0.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.0832 -1.7239 0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.6178 -2.6825 -0.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.3671 -2.6093 -1.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.5865 -1.5756 -2.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0482 -0.6137 -1.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.5146 0.6414 2.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3489 -1.8692 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3874 -2.0157 -1.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6952 0.6730 1.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.9825 -2.6606 -0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.8473 -1.9262 0.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.0494 -0.8851 -0.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.1120 -0.4814 1.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.1305 1.2242 2.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9305 -2.0811 -2.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4105 -1.6272 0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8823 -0.6509 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6108 -1.1925 1.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9015 -1.6650 0.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7074 2.1445 2.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2618 0.5921 2.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2789 1.6866 2.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5733 2.4237 0.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9526 0.7069 -0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8951 0.0184 1.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.6136 4.3076 2.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.3978 5.2176 0.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.5677 3.8595 0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.3102 -1.8076 1.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.2402 -3.4857 -0.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.7930 -3.3532 -2.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.4090 -1.5149 -3.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4622 0.1896 -2.0487 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 | |
| $$$$ | |