| 6cf7_ligand | |
| RDKit 3D | |
| 68 73 0 0 0 0 0 0 0 0999 V2000 | |
| 8.3548 -2.5088 0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.9020 -1.2147 0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.0512 -0.0997 0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.6636 -0.3088 0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.1793 -1.6002 0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8138 1.5578 0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1064 -0.7356 0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7956 -0.2744 0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.5447 -0.2612 0.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.0606 0.0157 0.4573 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.6380 1.1430 0.6809 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.3119 -1.1203 0.2052 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.9708 -2.7360 0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8150 -1.5390 0.0829 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.6156 0.5763 0.1948 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5471 -0.1959 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1421 0.1993 0.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4798 1.9257 0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4558 1.0432 0.1895 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3172 -1.2779 0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1070 -2.3266 -0.4561 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5752 -1.0300 0.7337 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9921 0.2255 1.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7287 1.1105 0.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6958 -1.8186 0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.3936 -1.0065 -0.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8798 0.3421 -0.3365 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -5.1648 0.2817 0.5125 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -5.8428 1.6205 0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4736 2.7311 0.0199 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.8889 1.8240 1.5509 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.2327 3.0980 1.4265 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.3743 3.6094 0.5288 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.4241 4.9944 0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.2311 -0.6199 -0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.8362 -0.3369 -1.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.7644 -1.2199 -1.8919 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.1013 -2.3927 -1.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.5231 -2.6814 0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.5933 -1.8068 0.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.0110 -3.3774 0.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.4152 0.9167 0.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5925 2.3175 0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3121 -1.8024 0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.8645 -0.4502 -0.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.0826 0.6095 0.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.7845 -1.1228 1.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.8249 -1.9852 0.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.5483 -3.7305 -0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1998 2.9766 0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1550 0.7459 1.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6699 -0.0414 2.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.1181 2.0198 0.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0675 1.4061 -0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3655 -2.7829 -0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.3796 -2.0218 1.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2293 -1.5465 -1.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6880 -0.7572 -1.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1591 0.9196 -1.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.8625 -0.0938 1.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.4538 5.2453 -0.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.7746 5.1542 -0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0811 5.5952 0.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.6086 0.5777 -1.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.2324 -0.9927 -2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.8265 -3.0789 -1.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.7979 -3.5955 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.1647 -2.0662 1.5393 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 | |
| $$$$ | |