| 6d3z_ligand |
| RDKit 3D |
|
|
| 223230 0 0 0 0 0 0 0 0999 V2000 |
| -7.9937 0.7374 1.9991 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7663 1.1961 2.5552 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -5.8189 2.0111 1.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6059 1.7910 0.5722 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1616 3.0246 2.4649 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1751 3.8302 1.7514 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -2.7583 3.2584 1.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3817 2.9361 3.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2006 5.3127 2.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5609 5.9925 1.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5160 5.9201 3.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.5916 6.9150 2.9656 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9277 7.9505 3.7528 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3168 8.1900 4.9178 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -8.9708 8.7546 3.4571 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9423 3.2236 0.8679 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5538 2.7232 0.9420 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.0518 2.9013 -0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3477 2.2754 -1.4494 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3553 1.2775 1.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7613 -0.1185 0.3622 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0065 3.9012 -0.5951 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6310 4.0779 -1.9132 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 2.9907 4.8535 -1.7396 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3597 5.8016 -2.4258 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6943 4.6751 -3.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6682 6.1892 -3.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3225 6.9772 -2.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0934 6.7803 -4.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4225 8.3779 -2.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2464 8.1673 -4.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9141 8.9547 -3.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1962 10.2895 -3.3795 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8364 4.3320 -0.7695 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0480 5.0815 -0.4428 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 6.1863 4.2050 0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8628 4.5401 1.0649 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7189 6.2605 0.4927 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7637 7.3896 0.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9109 8.1775 -0.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6897 9.0137 -1.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9794 8.3841 -2.3390 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 6.4994 3.1632 -0.7558 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7467 2.3788 -0.6997 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 7.4932 0.9244 -0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9120 0.6416 0.7868 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.8709 2.9460 0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.0733 2.1806 0.0887 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.0757 0.0065 -1.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.0829 -1.4507 -0.9440 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 6.7241 -2.1374 -1.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6438 -1.5408 -1.1399 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.6717 -1.8990 0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.1618 -1.5776 0.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.8510 -1.9546 1.8163 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.2188 -1.5978 3.0792 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.4521 -0.5480 3.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.2331 0.5029 2.6492 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 8.8786 -0.5753 4.6482 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8278 -3.4705 -1.5806 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7005 -4.3991 -1.4075 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 5.4912 -4.6599 0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6894 -3.8030 0.9766 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1337 -5.6401 -2.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9426 -5.0684 -3.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.6407 -3.8650 -2.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0498 -5.9529 0.4305 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7375 -6.0056 1.0533 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 2.6172 -5.2381 0.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6353 -5.0455 -0.8849 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9882 -5.7388 2.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3901 -6.3135 2.7676 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9442 -6.6230 1.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5016 -4.9554 1.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1538 -4.9539 0.5195 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.7269 -3.9419 1.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5820 -3.6837 2.4738 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3827 -6.4405 0.5958 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.2117 -7.1474 -0.7658 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8235 -6.5743 1.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4948 -8.6444 -0.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7709 -3.4389 0.5020 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0324 -3.0137 1.1244 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -4.1390 -3.4393 0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3546 -4.6428 -0.0228 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0838 -1.5783 1.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8049 -0.2312 0.4579 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6863 -2.4644 -0.6348 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6120 -2.6741 -1.7729 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -7.1197 -2.9529 -1.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9908 -2.4819 -2.2392 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0241 -3.3381 -3.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0740 -4.8376 -3.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9035 -5.5930 -3.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2734 -5.4762 -3.5168 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9270 -6.9815 -3.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2971 -6.8659 -3.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1302 -7.6091 -3.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4722 -3.6348 -0.3391 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.7935 -3.4451 0.2668 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -9.1027 -2.0233 0.7829 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.5174 -1.7933 1.9163 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.8464 -4.4936 1.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7005 -5.4675 1.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2719 -5.0843 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.0039 -1.0247 -0.1844 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.4520 0.3470 0.0325 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -8.5332 1.2383 0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5415 2.4741 0.6689 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.8717 0.4792 0.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.7669 1.2990 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -12.7149 0.8389 -0.8878 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.4147 2.6079 -0.3566 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9362 -0.1605 2.0369 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8859 1.3767 3.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0501 2.9205 3.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3871 3.7893 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4660 5.8484 1.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8551 5.4437 3.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3685 7.0489 1.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0659 5.6079 1.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9818 6.1135 4.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9931 4.9331 3.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.1477 6.8383 2.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6341 7.5179 5.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9801 8.5671 5.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.0839 9.6428 3.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.7007 8.5006 2.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4010 3.1290 -0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0390 3.4004 1.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8955 1.1245 2.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7165 1.1562 1.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9375 4.6964 0.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9164 3.0696 -2.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0539 4.2696 -3.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3400 4.3247 -2.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0224 6.5474 -1.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3719 6.1710 -5.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1404 9.0118 -1.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6411 8.6063 -5.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6808 10.7625 -2.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4766 3.6336 -0.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4204 5.4856 -1.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7417 6.7053 0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6282 5.8915 1.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5392 8.0953 1.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7517 6.9833 0.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7562 8.8670 -0.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2162 7.5109 -1.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9920 10.0091 -1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9779 9.1243 -0.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5974 8.2626 -3.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2170 8.9807 -2.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5921 7.4411 -2.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7438 2.7662 -1.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.1091 2.3782 -1.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.5930 2.9305 1.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.1082 3.9818 -0.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.7291 2.7294 -0.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2490 0.2968 -2.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 8.1172 -1.4326 1.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.5402 -2.9764 0.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 11.8543 -1.4979 1.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.9779 -3.0513 1.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 8.7636 1.3395 3.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.6219 0.5679 1.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.0860 -1.3147 5.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2429 0.1518 4.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7985 -3.9488 -1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2901 -6.2426 -2.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7762 -6.2831 -1.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 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 1 |
| 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 1 |
| 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 |
|
|
| $$$$ |
|
|
