| 5zk7_ligand |
| RDKit 3D |
|
|
| 87 87 0 0 0 0 0 0 0 0999 V2000 |
| 5.2272 0.4488 -0.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1564 -0.2169 -0.3427 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2798 1.0885 -2.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0774 0.6897 -0.0885 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8827 0.1567 1.2612 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 2.3719 0.1350 1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9024 0.4242 2.6828 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6990 0.9471 2.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1404 0.0688 3.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3384 -0.8216 3.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.6100 -0.0863 3.2782 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.5293 0.1136 2.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.3302 -0.1774 1.0414 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 9.7152 0.6323 2.6691 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6007 -0.3473 0.5546 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1411 -0.3071 0.5614 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.3600 -1.2269 -0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3787 -1.6150 -1.4733 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4265 1.1199 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3304 1.9978 -0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1557 3.0284 -0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2566 1.7820 -1.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9065 3.8062 -0.9626 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0113 2.5613 -2.8292 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8332 3.5635 -2.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6008 4.3331 -3.1477 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7034 -1.5607 -0.5158 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2128 -2.6078 -1.4206 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -3.6954 -2.4032 -1.7753 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3995 -3.2938 -2.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9977 -4.0166 -0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6635 -4.1937 -0.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1379 -1.1037 -1.6587 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3667 -0.6330 -2.2847 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -5.4125 0.8814 -2.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8384 1.5028 -1.2718 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6619 -1.2687 -1.7526 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8276 -1.3029 -0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.5133 -0.0742 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.8981 0.0987 -0.1033 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.9557 -0.6498 0.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.8560 -1.6439 1.1423 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -11.1524 -0.3922 -0.2810 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0238 1.8895 -2.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5578 0.3287 -2.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3117 1.5093 -2.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4194 1.3864 -0.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2111 -0.8910 1.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5844 1.4062 1.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0988 1.7787 2.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3027 -0.5613 3.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3978 0.7110 4.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2619 -1.2953 2.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3901 -1.6320 3.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8495 0.2303 4.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.0421 -0.0556 0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4055 -0.4192 0.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.4349 0.7872 1.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.9475 0.8455 3.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0444 -0.5460 -0.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1997 -0.7356 1.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4049 1.6029 1.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4838 1.0992 0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2225 3.2293 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3818 1.0025 -2.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5419 4.6060 -0.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9544 2.3687 -3.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3230 4.1921 -4.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1534 -1.4994 0.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6575 -2.5245 -2.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6726 -4.1946 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2021 -4.7853 -1.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0543 -3.9382 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4466 -0.4014 -1.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2776 -0.8535 -3.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0375 1.3997 -2.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.5285 -0.7793 -2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6929 -2.3090 -2.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8600 -1.4475 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4273 -2.1887 0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9708 0.8428 0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.5359 -0.1358 1.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.0972 0.9170 -0.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.9827 -1.8589 1.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.6564 -2.2062 1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.9696 -0.9325 -0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.2899 0.3359 -0.9689 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 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 |
|
|
| $$$$ |
|
|
