| 6cf7_ligand | |
| RDKit 3D | |
| 68 73 0 0 0 0 0 0 0 0999 V2000 | |
| 7.7337 1.3699 0.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3705 0.2239 0.7701 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.6456 -0.9748 0.9157 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2916 -0.9935 0.5512 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7133 0.1654 0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7254 -3.3587 0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8566 -1.2441 -0.5316 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6219 -1.8618 -0.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.0007 0.8282 1.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.6429 1.2331 1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.4446 2.3646 0.6829 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.7287 0.1927 1.1563 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3790 1.3687 -0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4054 -0.1032 -0.2101 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3571 -2.0014 0.5835 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2612 -1.4273 0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9353 -2.0051 -0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4613 -3.8907 0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4013 -3.1733 -0.4101 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.5390 -1.0557 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3961 0.1252 -1.5194 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7946 -1.6639 -1.3402 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3859 -2.4060 -0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6947 -1.7440 0.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7657 -1.0053 -2.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5568 0.0863 -1.4662 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6427 -0.2457 0.0219 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -4.6514 0.5567 0.8430 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -4.7240 2.0459 0.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.8895 2.6627 -0.5571 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.5320 2.9180 1.6693 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6395 4.1359 1.1621 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.8927 3.9528 -0.1438 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.1480 5.0538 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0832 0.0338 0.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.6100 -0.5601 1.9876 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.9065 -1.0760 2.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.7010 -1.0136 0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.2051 -0.4245 -0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.9094 0.0977 -0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.2735 2.3052 0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.1007 -1.8808 1.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5369 -3.9920 0.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9771 -0.1925 -0.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.9091 0.1502 2.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.5407 1.7187 1.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.5635 0.3402 0.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.0734 -0.6937 1.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.8880 2.2517 -0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2657 -4.9420 0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5869 -3.4312 -0.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6889 -2.4369 0.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8257 -1.9113 1.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.5625 -2.1334 -0.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2596 -0.5732 -3.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4474 -1.7797 -2.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.5615 0.1660 -1.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0352 1.0452 -1.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7244 0.0686 0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2721 0.4280 1.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2038 5.3413 -1.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.5579 5.8898 -0.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8710 4.7369 -1.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0264 -0.6233 2.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.3048 -1.5209 2.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.7133 -1.4110 0.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.8380 -0.3583 -1.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.5789 0.5788 -1.2336 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 | |
| $$$$ | |