| 6cf7_ligand | |
| RDKit 3D | |
| 68 73 0 0 0 0 0 0 0 0999 V2000 | |
| 8.5469 -0.1580 1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.8311 -1.1371 0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.7924 -1.6590 -0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.4856 -1.1926 -0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2605 -0.2321 0.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3931 -1.4285 -1.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1440 0.1315 0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7833 0.1439 -0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.4903 -2.0829 0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.2926 -1.3343 0.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.4075 -0.5672 1.6302 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.1264 -1.6481 0.0045 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.2453 0.3225 1.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9263 0.0494 0.6323 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3007 -1.5217 -0.9598 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4107 -0.7626 -0.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9716 -0.6804 -0.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0274 -1.3402 -1.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2010 -0.5707 -1.0714 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0940 1.0770 0.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3404 2.2044 0.9437 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3865 0.6984 1.1026 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2922 1.7706 1.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2051 2.1594 0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0742 -0.5213 0.6655 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.9460 -0.1975 -0.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9359 0.9270 -0.2281 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -5.1429 0.5057 0.6237 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -6.2258 1.5497 0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.5241 2.3610 -0.3596 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.8711 1.8805 1.8351 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.6704 2.8949 1.5393 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.4777 3.1275 0.2296 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.1988 4.1463 -0.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8354 -0.7542 0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.9488 -1.8654 0.9813 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.5394 -3.0486 0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.0269 -3.1424 -0.7639 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.9317 -2.0526 -1.6255 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.3420 -0.8656 -1.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.3340 0.2671 1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.9723 -2.4118 -1.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0026 -2.0650 -2.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5453 0.7497 0.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.3775 -2.3090 -0.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.6133 -3.0123 0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.3824 -1.4622 0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.2032 -2.3447 -0.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.0272 1.0756 2.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5577 -1.9017 -2.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8794 1.4070 2.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7428 2.6530 1.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6167 2.5603 -0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9453 2.9075 0.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6996 -0.8579 1.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3769 -1.3353 0.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3422 0.1915 -1.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4964 -1.0669 -0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3666 1.2390 -1.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.7544 0.3358 1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.5666 3.7181 -1.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.5146 4.9728 -0.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.0367 4.4912 0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.5889 -1.8339 2.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.6296 -3.9023 1.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.4916 -4.0673 -1.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.3265 -2.1307 -2.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.2971 -0.0313 -1.8876 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 | |
| $$$$ | |