| 6cf7_ligand | |
| RDKit 3D | |
| 68 73 0 0 0 0 0 0 0 0999 V2000 | |
| 8.8498 -2.0382 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.6652 -1.1924 -0.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.4027 -0.6311 -0.7346 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3461 -0.9369 0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.5769 -1.7869 1.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7012 -1.9153 2.7215 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2680 -0.1456 1.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9673 -0.0879 1.6461 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.2491 -0.1620 -3.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.8482 -0.2277 -2.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.9091 0.2996 -3.0541 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.7968 -0.9488 -1.2918 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.8023 -2.3636 1.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4026 -1.9386 1.8783 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.0344 -0.5328 0.1413 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5201 -1.1468 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1562 -1.0786 1.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3899 -1.7899 3.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5109 -0.9031 2.6307 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0334 0.9494 1.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5037 1.8277 0.3552 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3437 0.9273 1.3414 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1501 2.0765 0.9249 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2669 1.6615 -0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0696 -0.1567 2.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5893 -0.0933 1.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8316 0.2831 0.3067 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -5.2691 0.0219 -0.1311 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -6.3661 0.7747 0.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.4014 0.1780 1.1921 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.3196 2.1260 0.7987 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.3991 2.4299 1.5005 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.0441 1.2652 1.6738 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.2788 1.1804 2.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4581 0.1467 -1.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.7178 1.3653 -2.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8070 1.4248 -3.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.6399 0.2728 -4.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.3849 -0.9421 -3.8212 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2886 -1.0059 -2.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.8295 -2.4718 0.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.2073 0.0332 -1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3500 -2.6552 3.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5954 0.5342 0.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.9104 0.3355 -2.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.6125 -1.1728 -3.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.2466 0.4099 -3.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.6652 -1.3703 -0.9856 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.9372 -3.0214 2.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0013 -2.4254 3.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5857 2.5066 1.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5463 2.8675 0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0651 2.4059 -0.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8705 1.5675 -1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6966 -1.1096 1.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8708 -0.1048 3.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0750 0.6691 2.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0502 -1.0694 1.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2634 -0.3662 -0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4234 -1.0384 0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.7589 0.2229 2.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.9291 1.9991 2.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.0485 1.2604 3.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8566 2.2949 -1.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0097 2.3726 -4.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.7113 0.3213 -5.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2610 -1.8418 -4.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0873 -1.9769 -1.9810 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 | |
| $$$$ | |