| 6d08_ligand | |
| RDKit 3D | |
| 146146 0 0 0 0 0 0 0 0999 V2000 | |
| -8.4626 5.0541 2.5404 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -9.2450 3.9709 3.2367 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -9.1577 2.6016 2.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.9763 1.5723 3.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.6965 4.4248 3.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.3211 2.5849 1.1597 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.3784 1.3101 0.4193 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -8.4579 1.3460 -0.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.8202 0.9186 -1.9179 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.8342 0.9573 0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.7095 0.4389 1.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.3329 -0.9399 1.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.3867 -2.1131 0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -12.7670 -2.3345 0.2737 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -7.1652 1.7521 -0.5725 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0769 1.3810 -1.4974 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -4.9568 0.7686 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.9217 0.9377 0.5922 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.5863 2.5803 -2.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.9236 2.4546 -3.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.1615 1.3332 -4.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4278 0.5493 -3.9011 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.3544 1.2420 -5.8367 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0331 0.0225 -1.3104 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2836 -1.0557 -0.6435 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -1.9048 -0.5619 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3024 -1.0928 0.7582 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.1020 -2.2314 -1.6285 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -4.3538 -2.4774 -2.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6866 -3.5324 -0.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3081 0.3812 -0.9917 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1223 1.1321 -0.5487 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 1.1360 0.2541 -0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0609 0.5649 0.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.4192 2.0014 0.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2201 -0.8320 -1.1715 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1040 -1.9657 -0.8660 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 3.5500 -1.7234 -1.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.1477 -2.5325 -2.0947 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4958 -3.2693 -1.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8823 -4.5532 -0.6645 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8937 -5.4328 -1.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2443 -4.8839 -1.3117 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1279 -5.0296 -0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8380 -5.7009 0.7968 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 6.3284 -4.4792 -0.4322 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.1857 -0.6206 -0.8398 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.6365 -0.6563 -0.6939 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 5.9674 -1.4982 0.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1037 -1.9625 1.3171 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2774 0.7434 -0.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0141 1.5718 0.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.0311 2.7081 0.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.4213 2.1773 1.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.3397 3.3027 1.5296 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 10.7638 2.8500 1.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.5008 2.6894 0.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.8670 3.8059 -0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.5204 3.6351 -1.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.8175 2.3561 -2.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.4703 1.2457 -1.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.8218 1.4109 -0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.2991 -1.7265 0.7781 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.8320 -1.9528 2.1455 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 9.1235 -1.1331 2.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.6333 -1.1220 3.5020 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 8.0980 -3.4244 2.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.9151 -4.2032 2.1412 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.4585 -0.4674 1.3189 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.9291 5.4140 1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.5210 4.7207 2.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.3237 5.8520 3.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.7838 3.8767 4.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.2573 3.7097 3.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.7651 5.4123 3.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.1836 4.4694 2.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.6237 3.4009 0.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.9689 0.5114 1.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.8493 0.2155 -0.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.3115 1.8533 -0.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -12.7480 0.4098 0.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.6959 1.1650 2.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.3242 -0.8956 2.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -12.0034 -1.1580 2.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.0834 -3.0383 1.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.7526 -1.9568 -0.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -12.8048 -3.1475 -0.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -13.4208 -2.5339 1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -13.1387 -1.5365 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.8735 1.7548 0.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.4441 0.5753 -2.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0526 3.5025 -1.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.5015 2.7141 -2.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.9968 2.2791 -3.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.6674 3.3925 -4.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.9403 0.4599 -6.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0264 1.8001 -6.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2210 -0.1451 -2.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8628 -1.3731 0.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -4.1701 -3.0512 -3.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 0.1231 1.7973 -1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6464 1.3983 1.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4388 2.6360 0.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2794 2.6565 0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3576 -1.0377 -1.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1620 -2.0436 0.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4020 -3.1883 -1.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.7013 -3.3688 -2.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9711 -5.1541 -0.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2340 -4.3151 0.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9003 -6.4537 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6442 -5.5213 -2.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5097 -4.2010 -2.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5346 -5.7205 1.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.9489 -6.1488 0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.6511 -4.0011 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.9101 -4.4106 0.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6594 -0.1434 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0539 -1.2003 -1.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.3560 0.6125 -0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.9363 1.3186 -1.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0193 0.9341 1.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.0076 2.0025 0.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.0879 3.3334 -0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.6661 3.3497 1.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.8621 1.6572 0.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3635 1.5475 2.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.3265 4.0181 0.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.0211 3.7329 2.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.2450 3.6316 2.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.7494 1.9373 2.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.6674 4.8168 -0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.8115 4.5029 -2.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.3330 2.2237 -2.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.7151 0.2441 -1.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.5703 0.5224 0.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.9912 -1.1997 0.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.0818 -1.5785 2.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3665 -3.5966 3.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.9074 -3.8157 1.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.1898 -3.6739 2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 2 1 0 | |
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| 2 73 1 1 | |
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| 67145 1 0 | |
| 68146 1 0 | |
| M CHG 5 1 1 14 1 45 1 55 1 66 -1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |