| 6d40_ligand |
| RDKit 3D |
|
|
| 216223 0 0 0 0 0 0 0 0999 V2000 |
| 6.4571 2.4550 1.7821 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6529 3.6019 1.8215 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 4.7015 3.9654 0.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3845 3.1934 -0.1475 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1837 5.2415 0.8183 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6458 5.8637 -0.3984 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 2.4805 5.1437 -1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1285 5.4938 -2.2764 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7479 6.2383 -1.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8442 7.1238 -0.8333 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5837 7.9741 -1.8846 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8545 7.3449 -2.3294 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.0056 6.3409 -3.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0039 5.8596 -3.9387 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 9.2304 5.8497 -3.4372 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8019 4.1762 -0.4231 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7541 3.3595 -1.0664 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.6263 3.8493 -0.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6722 3.6380 -1.2248 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8720 1.8529 -0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2876 1.1516 -1.6822 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6153 4.4779 0.6267 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8345 4.9768 1.2555 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -2.6758 3.7412 1.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1898 2.9109 2.4741 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5366 6.0997 0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8817 7.4537 0.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6299 8.4720 1.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5143 7.6781 0.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0140 9.6717 1.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0836 8.8700 0.8848 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6555 9.8516 1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0472 10.9810 1.9997 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9445 3.6126 1.2184 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8587 2.6264 1.8099 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -6.2543 2.5814 1.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2803 2.4765 1.8066 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0587 2.8521 3.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4248 4.2977 3.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8518 4.4575 4.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0614 3.7881 5.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6553 4.7358 6.7121 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -6.2889 2.6381 -0.2242 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.5776 2.5006 -0.9124 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -7.9664 1.0235 -1.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.1483 0.7347 -1.4281 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.6001 3.3125 -2.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4597 3.0498 -3.0127 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9277 0.1325 -1.2531 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0867 -1.2922 -1.5983 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -6.4560 -2.1103 -0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5659 -1.5998 0.2811 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3827 -1.5218 -2.9587 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -7.1306 -0.8101 -4.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1663 -3.0006 -3.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5073 -1.3586 -4.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8683 -3.4185 -0.2724 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1824 -4.3786 0.6499 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -4.7053 -4.6736 0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0545 -3.8676 -0.4295 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1305 -5.5815 0.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4968 -4.9606 0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.2176 -3.8691 -0.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0333 -5.7265 0.8468 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5702 -5.7700 0.8012 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.9961 -6.3458 -0.5095 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5535 -7.2191 -1.1791 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2070 -6.6732 1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3381 -7.6978 1.9744 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5634 -6.8758 1.5747 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7673 -5.8394 -0.8747 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1387 -6.4669 -1.8765 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 1.3821 -5.5549 -1.9911 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5218 -5.9832 -2.1694 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4732 -6.7756 -3.2600 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.4408 -7.6801 -4.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8467 -5.5148 -4.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6169 -9.0770 -3.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0848 -4.2037 -1.8922 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1655 -3.2633 -1.5352 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 2.6772 -3.6975 -0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9207 -4.2114 0.6872 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6507 -1.8218 -1.5833 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6976 -0.6161 -0.7263 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0313 -3.4980 0.0305 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7351 -3.9780 1.2325 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 6.0598 -3.2197 1.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2466 -2.7096 2.5807 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8552 -5.5274 1.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7686 -6.1405 2.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5316 -5.9720 3.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8710 -6.8866 1.8101 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3801 -6.5447 4.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7318 -7.4635 2.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4853 -7.2875 4.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9974 -3.1007 0.4646 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.3065 -2.4653 0.7988 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 8.2896 -0.9117 0.8092 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.0254 -0.2620 1.5525 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.2784 -2.9856 -0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.4044 -3.4706 -1.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1372 -3.9494 -0.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5196 -0.3235 -0.1769 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3537 1.1560 -0.1453 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 6.3048 1.3853 0.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3991 0.5661 1.1612 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9167 1.6957 -1.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8928 2.7369 -2.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5132 3.9565 -2.0264 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 8.9868 2.2881 -2.4659 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0440 3.6507 1.4002 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3707 3.8764 2.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6758 5.8642 1.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1857 6.7942 -0.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1930 5.3325 -1.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2905 6.7627 -2.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3776 7.8456 -0.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5685 6.5462 -0.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8575 8.9295 -1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9672 8.2133 -2.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.7220 7.7292 -1.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0735 6.0103 -3.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.2385 5.0047 -4.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.3296 5.0412 -4.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.0373 6.0647 -2.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3395 3.7296 0.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7884 3.5252 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0024 1.7121 0.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0333 1.3229 -1.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2193 4.4096 1.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5155 5.4084 2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5221 5.9526 -0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5839 6.1824 0.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6954 8.3473 1.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0937 6.9365 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5657 10.4307 2.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1280 9.0473 0.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8621 10.7162 2.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2644 4.1427 0.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4089 1.6279 1.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1372 2.5770 3.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8086 2.1407 3.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3109 4.9855 2.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7083 4.6299 4.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0695 5.5276 4.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.5628 4.0709 3.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.1193 3.5546 5.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4812 2.8756 5.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2562 5.5710 6.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7378 4.3000 7.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6881 5.0557 6.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4450 2.5490 -0.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.3579 2.9050 -0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.5797 4.3850 -1.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5111 3.1304 -2.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6258 2.1971 -3.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0598 0.3589 -0.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.1563 -1.4925 -1.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3753 -1.0694 -2.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2158 0.2525 -3.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5085 -0.8863 -5.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1113 -3.5505 -3.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4768 -3.4727 -2.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7354 -3.0910 -4.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.1783 -1.3045 -3.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4665 -2.4017 -4.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.9583 -0.7746 -5.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1722 -3.9138 1.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1337 -6.1458 1.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8859 -6.2671 -0.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.2546 -5.6792 0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.8505 -4.4845 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.9604 -3.0713 -0.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.1900 -4.2997 -1.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1723 -4.7533 0.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2197 -7.1344 1.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2406 -6.0995 2.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 77187 1 0 |
| 77188 1 0 |
| 77189 1 0 |
| 78190 1 0 |
| 78191 1 0 |
| 78192 1 0 |
| 79193 1 0 |
| 80194 1 6 |
| 83195 1 0 |
| 83196 1 0 |
| 85197 1 0 |
| 86198 1 1 |
| 89199 1 0 |
| 89200 1 0 |
| 91201 1 0 |
| 92202 1 0 |
| 93203 1 0 |
| 94204 1 0 |
| 95205 1 0 |
| 97206 1 1 |
| 100207 1 0 |
| 100208 1 0 |
| 101209 1 0 |
| 101210 1 0 |
| 102211 1 0 |
| 102212 1 0 |
| 103213 1 0 |
| 104214 1 1 |
| 107215 1 0 |
| 107216 1 0 |
| M CHG 3 14 1 42 1 109 -1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
