| 5zk7_ligand |
| RDKit 3D |
|
|
| 87 87 0 0 0 0 0 0 0 0999 V2000 |
| 6.1459 0.1331 3.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8708 0.5565 2.1669 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6952 -0.3390 4.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7834 0.0220 2.9673 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9612 0.5530 1.8757 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 2.4949 0.1717 2.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2042 -0.6196 3.0732 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4115 0.0969 0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4965 -1.4242 0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5505 -1.8263 -0.7283 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9064 -1.7626 -0.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8215 -0.7939 -0.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.6335 0.2470 -1.1257 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 8.9800 -0.8787 0.3515 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5398 0.7914 1.4009 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1544 0.3244 1.4387 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.0396 -0.7751 0.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7611 -0.9791 -0.5411 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8603 1.4673 1.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6716 2.3339 0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1643 3.6362 0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0026 1.8659 -1.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0093 4.4517 -0.9538 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8197 2.6777 -2.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3175 3.9634 -2.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1676 4.7226 -3.3341 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2211 -1.4854 0.4794 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5013 -2.6028 -0.4370 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -3.0183 -2.8406 -0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5183 -3.9169 -0.8629 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7718 -3.8943 -0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6411 -3.7128 0.0803 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7836 -1.6903 -0.4589 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2108 -1.7173 -0.7597 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -5.3468 -1.6505 -2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5995 -0.6179 -2.9052 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9163 -0.5277 -0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4453 -0.5725 -0.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.0498 0.8286 -0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.6233 1.5375 -1.5559 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.0592 1.2957 -2.8036 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.0553 0.4424 -3.0563 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -7.5015 1.9458 -3.8291 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7528 -0.5923 4.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1655 -1.2333 4.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5925 0.4564 5.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2606 -0.3148 3.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0344 1.6465 1.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3787 0.5566 0.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7371 0.4936 -0.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7281 -1.9244 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5162 -1.7960 -0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3928 -2.8713 -1.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4900 -1.2334 -1.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1805 -2.5406 0.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7887 0.3547 -1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.3233 0.9833 -1.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.6486 -0.1235 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.1578 -1.6166 1.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8329 1.2165 0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0328 -0.1455 2.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8161 2.1064 2.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8830 1.0715 1.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0954 4.0311 1.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4019 0.8673 -1.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3949 5.4581 -0.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0663 2.3089 -3.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1612 5.6024 -3.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6330 -1.5546 1.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1537 -2.2973 -1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1362 -4.2644 0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9463 -4.6799 -0.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9083 -2.9662 -0.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2858 -0.8073 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6468 -2.6618 -0.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1528 -2.5995 -2.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5088 0.4078 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6809 -0.5103 0.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7296 -1.1369 -1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.8770 -1.1070 0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7332 1.4314 0.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.1435 0.7987 -0.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9623 2.2965 -1.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.3824 0.2812 -4.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.5330 -0.0512 -2.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.8039 1.7842 -4.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6663 2.5022 -3.7095 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 6 |
| 31 71 1 0 |
| 31 72 1 0 |
| 32 73 1 0 |
| 33 74 1 0 |
| 34 75 1 1 |
| 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 |
|
|
| $$$$ |
|
|
