| 5zk7_ligand |
| RDKit 3D |
|
|
| 87 87 0 0 0 0 0 0 0 0999 V2000 |
| 4.8211 0.8875 -0.9748 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6806 0.1262 -1.4057 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4296 2.1525 -1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1314 0.6659 0.1910 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2554 -0.5727 0.9600 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 2.9416 -0.7673 1.7448 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8819 -0.8110 2.9707 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4618 -0.5800 1.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7976 -0.8561 1.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8812 -1.2859 2.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2596 -0.2150 3.1328 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.1525 0.7517 2.8773 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.7201 0.8974 1.6784 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 9.4971 1.5984 3.8535 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8356 -0.9009 0.9447 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4867 -1.0422 1.4859 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.4285 -1.6003 0.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1431 -1.5226 -0.8145 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0725 0.2640 2.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2090 1.5156 1.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4506 1.7522 0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1417 2.4597 1.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1645 2.8943 -0.6816 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4210 3.6089 0.9972 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7654 3.8128 -0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0064 4.9141 -0.9785 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5833 -2.1918 0.8347 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6643 -2.5727 -0.0722 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -3.6508 -1.3900 -0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5890 -0.3914 0.5319 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3739 -3.8260 0.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7872 -3.6256 1.8122 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6162 -1.5215 -1.1721 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8034 -0.6750 -1.1499 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -6.9425 -1.5072 -0.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0809 -2.7058 -0.8174 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1731 -0.1267 -2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2308 -1.1808 -3.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6837 -0.5871 -4.9819 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.1295 -0.2944 -4.9730 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.7210 0.8962 -5.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.0358 2.0272 -5.3263 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -10.0568 0.9629 -5.1491 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3115 2.5743 -2.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6652 1.9231 -2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0444 2.8979 -0.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3395 1.2693 0.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3384 -1.4129 0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3086 -1.3645 2.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5170 0.3681 2.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1247 0.0408 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6689 -1.6595 0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5397 -2.1355 2.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.7786 -1.6304 1.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9050 -0.2781 4.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.4561 0.3119 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.4186 1.6041 1.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.0933 1.5366 4.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.1982 2.3115 3.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9159 -0.8145 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5305 -1.8014 2.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3618 0.3954 3.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1555 0.1891 2.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1997 1.0563 -0.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6497 2.3047 2.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6797 3.0737 -1.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1368 4.3299 1.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5816 5.5236 -0.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8848 -2.0219 1.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2570 -2.7672 -1.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2549 -4.0820 -0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6850 -4.6772 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1854 -4.4611 2.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7596 -2.4524 -1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6551 0.1641 -0.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.6833 -0.9536 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1399 0.3854 -2.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4320 0.6325 -2.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2346 -1.6145 -3.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9069 -1.9962 -3.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5255 -1.3226 -5.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0989 0.2977 -5.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.7455 -1.0915 -4.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5053 2.9104 -5.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0267 2.0470 -5.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.6344 0.1371 -5.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.5451 1.8426 -5.2573 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 |
|
|
| $$$$ |
|
|
