| 5zml_ligand | |
| RDKit 3D | |
| 280282 0 0 0 0 0 0 0 0999 V2000 | |
| -7.8510 -4.0303 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.5146 -3.3642 -0.4604 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.4360 -4.5868 1.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.4975 -4.2429 0.2152 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.6749 -4.0629 -0.9903 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -4.3123 -4.7466 -0.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0628 -5.1573 0.5021 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4536 -2.5949 -1.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.6085 -2.0497 -2.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.2950 -0.7659 -3.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.3452 0.4787 -2.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.3721 1.6736 -3.0673 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -3.3968 -4.9012 -1.6567 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9718 -5.1219 -1.3903 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -1.2434 -3.8449 -1.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7348 -3.1041 -2.7297 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4441 -6.3525 -2.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1418 -7.6673 -1.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8846 -8.1296 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5482 -9.4912 -0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2662 -9.9400 1.2748 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 0.0642 -3.6739 -1.4647 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6804 -2.3602 -1.6344 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 0.8908 -1.9533 -3.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9022 -0.7869 -3.4847 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0734 -2.3154 -0.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1229 -2.3780 0.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4081 -1.2097 1.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8508 -1.0902 2.6069 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9011 0.0618 3.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4772 1.2397 2.8643 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 2.4280 0.0215 4.5497 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3063 -2.9927 -3.9342 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3460 -2.8646 -5.3972 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 2.3632 -1.8088 -5.9052 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3132 -1.2801 -7.0179 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0672 -2.6598 -5.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2053 -3.0650 -7.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2453 -4.4107 -7.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2832 -2.0681 -8.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3525 -4.7644 -9.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3896 -2.4225 -9.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.4258 -3.7689 -10.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.5513 -4.0618 -11.4673 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4535 -1.6188 -5.0924 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4623 -0.6004 -5.3896 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 5.5784 -0.7207 -4.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4194 -1.3118 -3.2538 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8607 0.8236 -5.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1241 1.0350 -4.1547 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.7495 -0.0605 -4.5948 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.8847 0.0055 -3.6498 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 8.3224 1.4779 -3.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.4805 1.8476 -3.5551 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.0143 -0.9501 -4.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.2911 -0.9312 -3.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.0694 -0.7690 -1.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.3080 -0.9274 -0.9416 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.7745 -0.0972 0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.2420 1.1106 0.2621 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 12.7980 -0.5020 0.7872 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.7823 3.1968 -0.8069 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.2723 2.2898 -3.0223 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.6746 2.3806 -0.5486 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.4191 3.5863 -2.2927 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| 6.1507 4.4776 -2.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7918 4.6292 -3.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9800 5.4474 -2.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8437 3.7442 -2.8966 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.6229 4.4323 -2.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.1071 3.7745 0.2494 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.9556 3.0646 0.8397 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 5.5216 3.7646 2.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0161 3.4821 3.2437 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2603 1.5842 1.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.9002 0.5903 0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4538 0.7630 -0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6001 1.0887 0.5365 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2281 0.4806 -1.5925 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4853 4.6757 2.0198 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5381 4.8609 3.1280 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 2.1437 4.5522 2.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0356 3.8491 1.5117 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7002 6.1591 3.9232 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4258 7.4854 3.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5321 7.8471 2.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3185 8.6012 4.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0390 4.9847 3.2181 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3107 4.6061 2.7796 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -0.6303 5.1052 1.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0149 5.9891 0.7848 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3851 5.1408 3.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0918 4.9045 5.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2971 5.3146 6.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7370 3.4501 5.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4365 1.9843 0.9097 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6916 4.5398 0.6781 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.5098 1.1821 0.8519 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5673 3.2304 -0.0344 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -0.3688 3.2231 -1.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7817 4.2692 -3.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6565 5.3025 -2.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.5412 4.0705 -2.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8821 3.0151 -0.8257 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4948 1.8045 1.7714 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.9122 0.5002 2.2747 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -4.3733 0.7373 2.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0538 1.6576 2.2806 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9450 -0.0210 3.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9871 -1.5063 3.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0343 -2.4672 2.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9395 -1.9332 4.9704 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0534 -3.8284 2.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9718 -3.2886 5.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0264 -4.2397 4.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.9311 -0.1274 3.6911 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.1121 0.3595 4.4274 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -6.1234 0.1893 5.9707 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.0781 0.5458 6.6545 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.4433 -0.0803 3.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.7173 -1.5780 3.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.9330 -2.3099 5.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.9911 -1.6908 5.8303 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.8574 -1.3581 7.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.8943 -1.8527 7.9135 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -9.6908 -0.4392 7.6520 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0285 -0.4663 6.5180 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3913 0.2210 7.6743 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -3.5428 1.4190 7.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1984 2.4781 6.8919 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -3.5244 -0.7468 8.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4161 1.0698 6.5976 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.3527 -5.6808 1.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.8689 -4.1867 2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.4807 -4.2936 1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0676 -4.8394 0.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.1384 -4.6360 -1.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.5367 -2.5108 -2.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -6.9066 -2.8237 -3.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.4767 -1.8341 -1.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.0494 -0.6776 -3.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -7.2494 0.5262 -1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4600 0.5689 -1.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.1656 1.6482 -3.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 2.7036 -3.1315 -1.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5702 -1.3879 -1.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.7257 -3.3359 0.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1874 -2.3684 0.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6149 -0.2887 0.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3304 -1.3910 1.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2597 -1.8903 3.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0871 1.4215 1.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6875 2.0214 3.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7340 -0.8323 5.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -2.0997 -4.5590 2.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9437 -3.6153 6.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0431 -5.2960 4.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4542 -0.9626 4.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0912 1.4524 4.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.2802 0.3972 4.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.4823 0.3295 2.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.9054 -2.0699 3.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.6272 -1.7111 3.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.2399 -3.3455 4.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.9831 -2.3455 5.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.7780 -1.2789 5.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.1151 -2.3634 7.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.7861 -1.5126 8.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.5619 -0.1590 7.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.2024 0.2839 8.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2745 -0.6355 5.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.1786 0.6286 8.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4745 -0.4375 8.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5345 -1.7576 8.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8905 -0.8520 9.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 13 6 1 0 | |
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| M CHG 6 12 1 21 1 31 1 60 1 125 1 130 -1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |