| 5zk7_ligand | |
| RDKit 3D | |
| 87 87 0 0 0 0 0 0 0 0999 V2000 | |
| 6.4526 1.8783 0.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.1114 0.9236 0.3328 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.0902 3.1525 1.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.0963 1.8291 0.9221 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.1999 0.8892 0.2487 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 2.7539 1.3342 0.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5086 2.1218 1.4787 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4290 -0.6035 0.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4043 -1.0618 1.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.6204 -0.6800 2.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.8810 -0.9596 2.1353 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.8024 -1.8860 2.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.6721 -2.7844 3.3646 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 8.9008 -1.9245 1.6244 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.7850 0.8318 -0.2695 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3792 1.2150 -0.1292 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -0.3793 0.0765 0.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0082 -1.0950 0.5272 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2804 1.4579 -1.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3902 2.5524 -2.2938 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1600 3.9012 -1.9848 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2669 2.2324 -3.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7940 4.9131 -2.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9022 3.2437 -4.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6610 4.5738 -3.7429 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3024 5.5265 -4.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5349 0.4742 1.2215 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5568 -0.4974 1.6167 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -3.7426 -0.3327 0.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7798 0.5584 -0.2071 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0300 -0.2593 3.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9212 -1.3009 3.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.7663 -1.2454 0.8067 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0323 -1.1037 0.0889 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -6.9378 -0.1996 0.9266 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.1648 -0.1982 0.8496 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.6620 -2.4790 -0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.7356 -2.4375 -1.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.4338 -3.7803 -1.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.5770 -4.7854 -2.1031 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.3061 -4.8465 -3.4184 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.7608 -3.9367 -4.2843 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -6.5585 -5.8507 -3.8865 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.2251 3.1028 2.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.0625 3.2802 0.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.4663 4.0148 0.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6332 2.6753 1.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3507 1.0582 -0.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3675 -0.9215 0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6503 -1.1753 0.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4910 -0.7095 2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3457 -2.1587 1.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.6099 0.3867 3.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5988 -1.2037 3.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.1058 -0.3236 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.8629 -2.7916 3.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3875 -3.4750 3.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.6361 -2.6029 1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.0264 -1.2590 0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9739 -0.0024 -0.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3119 2.1177 0.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3392 1.7186 -1.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2823 0.5294 -2.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.5181 4.1776 -1.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4601 1.1971 -3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5994 5.9507 -2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5778 2.9963 -4.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0033 6.4044 -4.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8908 1.3983 0.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1806 -1.5209 1.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5555 0.6984 3.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1730 -0.2562 3.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0618 -1.1792 4.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.7688 -1.7366 1.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8363 -0.5841 -0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.4243 0.5582 1.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8800 -3.1840 -0.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.0937 -2.8724 0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.5013 -1.6979 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.2784 -2.1133 -2.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.7471 -4.1904 -0.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.3452 -3.6707 -2.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.2594 -5.5576 -1.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.3436 -3.1666 -3.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.5601 -3.9939 -5.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.2027 -6.5836 -3.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.3518 -5.9318 -4.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 2 2 0 | |
| 1 3 1 0 | |
| 1 4 1 0 | |
| 4 5 1 0 | |
| 5 6 1 0 | |
| 5 8 1 0 | |
| 6 7 2 0 | |
| 6 15 1 0 | |
| 8 9 1 0 | |
| 9 10 1 0 | |
| 10 11 1 0 | |
| 11 12 1 0 | |
| 12 13 2 0 | |
| 12 14 1 0 | |
| 15 16 1 0 | |
| 16 17 1 0 | |
| 16 19 1 0 | |
| 17 18 2 0 | |
| 17 27 1 0 | |
| 19 20 1 0 | |
| 20 21 2 0 | |
| 20 22 1 0 | |
| 21 23 1 0 | |
| 22 24 2 0 | |
| 23 25 2 0 | |
| 24 25 1 0 | |
| 25 26 1 0 | |
| 27 28 1 0 | |
| 28 29 1 0 | |
| 28 31 1 0 | |
| 29 30 2 0 | |
| 29 33 1 0 | |
| 31 32 1 0 | |
| 33 34 1 0 | |
| 34 35 1 0 | |
| 34 37 1 0 | |
| 35 36 2 0 | |
| 37 38 1 0 | |
| 38 39 1 0 | |
| 39 40 1 0 | |
| 40 41 1 0 | |
| 41 42 2 0 | |
| 41 43 1 0 | |
| 3 44 1 0 | |
| 3 45 1 0 | |
| 3 46 1 0 | |
| 4 47 1 0 | |
| 5 48 1 6 | |
| 8 49 1 0 | |
| 8 50 1 0 | |
| 9 51 1 0 | |
| 9 52 1 0 | |
| 10 53 1 0 | |
| 10 54 1 0 | |
| 11 55 1 0 | |
| 13 56 1 0 | |
| 13 57 1 0 | |
| 14 58 1 0 | |
| 14 59 1 0 | |
| 15 60 1 0 | |
| 16 61 1 1 | |
| 19 62 1 0 | |
| 19 63 1 0 | |
| 21 64 1 0 | |
| 22 65 1 0 | |
| 23 66 1 0 | |
| 24 67 1 0 | |
| 26 68 1 0 | |
| 27 69 1 0 | |
| 28 70 1 1 | |
| 31 71 1 0 | |
| 31 72 1 0 | |
| 32 73 1 0 | |
| 33 74 1 0 | |
| 34 75 1 6 | |
| 35 76 1 0 | |
| 37 77 1 0 | |
| 37 78 1 0 | |
| 38 79 1 0 | |
| 38 80 1 0 | |
| 39 81 1 0 | |
| 39 82 1 0 | |
| 40 83 1 0 | |
| 42 84 1 0 | |
| 42 85 1 0 | |
| 43 86 1 0 | |
| 43 87 1 0 | |
| M CHG 2 13 1 42 1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |