| 6d3z_ligand |
| RDKit 3D |
|
|
| 223230 0 0 0 0 0 0 0 0999 V2000 |
| -6.7932 1.4246 1.2941 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7920 2.4196 1.3210 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -5.9517 3.8520 0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8740 4.5183 1.3556 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7588 4.4366 0.5058 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5799 4.7350 -0.9327 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -3.2766 3.9500 -1.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3825 4.3565 -2.0872 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5753 6.2491 -1.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2906 7.3026 -0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3319 7.4298 0.9075 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6431 7.6340 0.3266 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.8132 7.2454 0.8763 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9133 6.7592 2.1077 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -8.9404 7.3107 0.1351 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2304 2.6882 -0.7414 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9800 1.9002 -0.5814 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.0686 2.8065 0.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2752 2.9252 1.5015 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4251 1.3277 -1.8727 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7997 -0.3988 -1.7587 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1787 3.5809 -0.4467 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2492 4.9144 -0.0257 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 1.4958 5.1745 -0.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5143 6.1028 -1.7307 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5580 5.2191 1.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6129 6.7309 1.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7530 7.4704 1.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5572 7.4320 2.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7212 8.8516 1.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5607 8.8327 2.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5677 9.5185 1.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5622 10.8866 1.5552 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5937 4.3597 -0.7493 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8502 4.6575 -1.4405 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 4.9524 3.5767 -1.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5145 3.3930 -2.6325 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4467 5.9293 -0.7756 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8000 6.4228 -1.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9769 7.9313 -0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4226 8.3257 -0.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5567 9.7833 -1.0234 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 5.4461 2.9954 -0.3925 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8940 2.7333 -0.3238 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 7.4389 1.3121 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.6417 1.0918 -0.2232 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5472 3.6232 0.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.6318 4.4102 0.3187 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5397 0.3091 0.1282 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9733 -1.0607 0.4378 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 5.9753 -2.0848 -0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8409 -1.6936 -0.4443 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1667 -1.2483 1.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.4361 -0.6100 2.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.7457 -1.2500 2.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.2452 -0.6677 0.8441 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.4369 -0.9143 0.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.2349 -1.8809 0.7017 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 11.8134 -0.1692 -0.7793 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4011 -3.4006 -0.3319 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5652 -4.3990 -0.9984 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 4.7083 -5.1631 0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9959 -4.6029 0.8879 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6079 -5.2366 -1.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8363 -5.2297 -0.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.6705 -3.9926 0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6680 -6.5566 -0.1516 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3312 -7.1525 -0.2868 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 2.2357 -6.2826 -0.9246 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3838 -5.8699 -2.0761 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0597 -7.9616 1.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2985 -7.7575 1.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3668 -7.3300 0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1237 -6.0073 -0.1682 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1435 -5.6389 -0.8128 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.6911 -4.2200 -0.5305 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2611 -3.5776 -1.4169 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2205 -6.7443 -0.6312 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.2362 -7.5249 0.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0382 -7.7985 -1.7548 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8364 -6.8395 1.9212 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7202 -3.7729 0.7839 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3510 -2.4926 1.1729 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -2.7847 -2.2121 0.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2469 -1.0898 0.4621 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4335 -1.2738 1.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4972 -0.5614 -0.2074 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5269 -3.3778 0.3632 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8476 -3.3794 -0.3131 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -5.9963 -3.6451 0.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9443 -3.2467 1.8797 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7963 -4.2786 -1.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1173 -5.7534 -1.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7946 -6.3993 -2.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7372 -6.5272 -0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1510 -7.7669 -2.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0755 -7.8765 -0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8130 -8.4848 -1.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1479 -4.1592 0.1405 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.3112 -3.2657 0.0843 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -8.0120 -1.8195 -0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3360 -1.5572 -1.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.0745 -3.4969 1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.7913 -4.9567 1.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.6574 -5.3884 0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5418 -0.8073 0.4696 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.6200 0.5435 -0.0892 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -8.1336 1.5729 0.9495 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.9088 2.3448 1.5429 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.0377 0.8316 -0.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.8391 -0.4393 -0.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.3393 -1.0841 0.0581 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.8999 -0.8644 -2.1626 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9649 1.4768 0.1795 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9301 2.1698 1.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9807 3.8186 0.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3865 4.2789 -1.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7803 6.4140 -2.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5353 6.4451 -1.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3045 7.0758 0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2269 8.2845 -0.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0724 8.3622 1.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2600 6.6019 1.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7480 8.1477 -0.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4128 5.8665 2.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1790 6.8870 2.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.9727 7.5953 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.8590 7.1561 0.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0710 2.1196 -0.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2890 1.0987 0.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2061 1.2946 -2.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6014 1.8859 -2.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4001 3.6049 -1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5247 5.5924 -0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2102 4.8331 2.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5039 4.7765 1.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6427 6.9475 1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4708 6.8886 2.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5421 9.3913 0.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4714 9.3708 2.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0451 11.2316 2.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4379 3.4648 -0.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5767 4.9310 -2.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5517 5.7744 0.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7457 6.7581 -0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5996 5.8587 -0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9187 6.2729 -2.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4424 8.1641 -0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4947 8.5017 -1.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.1225 7.8186 -1.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7497 8.1787 0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.5112 10.1177 -0.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9217 10.3409 -0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3296 10.0096 -2.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9286 3.1468 0.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3162 3.0791 -1.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8186 4.3137 1.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9059 2.9954 1.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.5661 4.5311 -0.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5648 0.4201 -0.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9118 -1.2259 -0.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3032 -0.7875 2.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1713 -2.3006 2.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.4603 0.4729 2.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.3679 -0.7206 3.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.5075 -1.0822 2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.6268 -2.3147 1.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.6660 0.0536 0.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.9529 -2.5410 1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 13.1910 -1.9591 0.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.2181 0.5760 -1.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.6562 -0.3304 -1.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8821 -3.9187 -1.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8737 -4.7512 -2.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3016 -6.2570 -2.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9021 -6.1347 -0.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.7584 -5.1720 -1.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5653 -4.3058 1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 48159 1 0 |
| 49160 1 0 |
| 50161 1 6 |
| 53162 1 0 |
| 53163 1 0 |
| 54164 1 0 |
| 54165 1 0 |
| 55166 1 0 |
| 55167 1 0 |
| 56168 1 0 |
| 58169 1 0 |
| 58170 1 0 |
| 59171 1 0 |
| 59172 1 0 |
| 61173 1 6 |
| 64174 1 0 |
| 64175 1 0 |
| 65176 1 0 |
| 65177 1 0 |
| 66178 1 0 |
| 66179 1 0 |
| 68180 1 6 |
| 71181 1 0 |
| 71182 1 0 |
| 72183 1 0 |
| 72184 1 0 |
| 73185 1 0 |
| 73186 1 0 |
| 74187 1 0 |
| 75188 1 6 |
| 78189 1 6 |
| 79190 1 0 |
| 79191 1 0 |
| 80192 1 0 |
| 80193 1 0 |
| 80194 1 0 |
| 81195 1 0 |
| 81196 1 0 |
| 81197 1 0 |
| 82198 1 0 |
| 83199 1 1 |
| 86200 1 0 |
| 86201 1 0 |
| 88202 1 0 |
| 89203 1 6 |
| 92204 1 0 |
| 92205 1 0 |
| 94206 1 0 |
| 95207 1 0 |
| 96208 1 0 |
| 97209 1 0 |
| 98210 1 0 |
| 100211 1 6 |
| 103212 1 0 |
| 103213 1 0 |
| 104214 1 0 |
| 104215 1 0 |
| 105216 1 0 |
| 105217 1 0 |
| 106218 1 0 |
| 107219 1 6 |
| 110220 1 0 |
| 110221 1 0 |
| 113222 1 0 |
| 113223 1 0 |
| M CHG 3 14 1 42 1 58 1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
