| 6d08_ligand |
| RDKit 3D |
|
|
| 146146 0 0 0 0 0 0 0 0999 V2000 |
| -11.4812 -2.6900 2.0800 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -10.0106 -2.4907 1.8344 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -9.7634 -1.0362 1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.7120 -0.2594 1.2654 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.5712 -3.4993 0.7856 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4614 -0.6757 1.1830 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.0558 0.6406 0.6611 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -7.0506 0.3297 -0.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2975 -0.6389 -0.3879 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3740 1.4332 1.7897 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7460 2.7749 1.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7501 3.8922 1.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0194 5.1847 0.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9969 6.2882 0.6299 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -7.0063 1.2422 -1.4906 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1243 1.0698 -2.6474 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -4.6622 1.4898 -2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0098 2.2311 -3.0673 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6672 1.7968 -3.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7620 3.3234 -3.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9832 3.8513 -3.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5921 3.2372 -2.2402 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.2832 5.1538 -3.4070 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1168 0.9317 -1.1998 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7177 1.1604 -0.8309 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -2.0613 -0.1909 -0.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7126 -1.1481 -0.0909 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5761 2.1127 0.3802 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -3.4439 1.7270 1.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9211 3.5491 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7036 -0.2155 -0.6960 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0972 -1.4131 -0.4925 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 1.0509 -1.2194 0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9575 -0.2688 1.4985 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8238 -1.7258 -1.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9669 -2.2347 0.8853 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9392 -2.3181 1.9899 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 4.1854 -1.4286 1.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8558 -0.9240 2.6463 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3833 -3.7930 2.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7667 -4.5105 0.8667 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2427 -5.9479 1.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9325 -6.7606 -0.1650 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5162 -6.6881 -1.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4964 -5.8429 -1.6554 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 4.0857 -7.4771 -2.3578 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5627 -1.4170 0.4408 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6579 -0.6775 -0.1907 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 5.0856 -0.5623 -1.6208 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8975 -0.2388 -1.7739 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9995 -1.4248 -0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7267 -1.3081 1.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2449 0.1019 1.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.1735 0.1021 2.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.6674 1.4764 3.0719 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 10.5505 2.1102 2.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.2363 3.3229 2.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.7237 4.6112 2.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.3579 5.7399 2.8744 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.5035 5.5939 3.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 13.0241 4.3274 3.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.3945 3.1982 3.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8609 -0.9564 -2.6864 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2011 -1.7879 -3.7225 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 4.8870 -3.2373 -3.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4131 -4.0574 -4.0780 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 6.0684 -1.8211 -4.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4350 -2.0994 -4.6239 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1527 -3.4958 -2.0022 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -12.0110 -2.4512 1.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.7276 -3.6386 2.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.8097 -2.0235 2.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.5170 -2.6663 2.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.8191 -4.5223 1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.0702 -3.3042 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4928 -3.4497 0.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7100 -1.3653 1.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.9178 1.1696 0.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.0860 1.5836 2.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5574 0.8151 2.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0861 2.6633 0.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0866 3.0919 2.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.3541 4.0584 2.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4397 3.6146 0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4956 5.0945 -0.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3125 5.4864 1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.6371 6.1121 -0.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.5165 7.1761 0.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5605 6.4195 1.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.8674 1.7550 -1.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0830 -0.0017 -2.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9993 1.5410 -4.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.6453 1.3816 -4.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8817 3.7694 -3.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7935 3.7062 -4.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.8379 5.5749 -4.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.2275 5.4663 -3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5821 0.1295 -0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1784 1.5782 -1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5468 2.1004 0.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9611 1.0304 1.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2689 3.9112 -0.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7955 4.2140 0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9661 3.6386 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1928 0.6462 -0.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5597 -2.2602 -0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1117 -1.8516 -2.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5032 -0.9116 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4176 -2.6502 -1.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1348 -2.8080 0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4421 -1.9401 2.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5482 -4.3345 2.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2230 -3.8418 2.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9059 -4.5495 0.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5554 -3.9562 0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3156 -5.9995 1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7231 -6.4373 1.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2728 -7.5191 -0.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4241 -4.8348 -1.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0311 -5.9323 -2.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5003 -7.3561 -3.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2320 -7.9977 -2.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8248 -1.6795 -0.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7057 0.3328 0.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8521 -2.4922 -0.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7064 -1.0668 -0.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.5808 -2.0012 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0955 -1.6577 2.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4125 0.7905 1.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.7950 0.4489 0.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.6470 -0.2407 3.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.0619 -0.5305 2.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.1980 1.4475 3.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.8786 2.1038 3.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.2838 1.3696 1.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.9220 2.3698 1.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.8368 4.7598 1.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.9783 6.7346 2.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 13.0050 6.4760 4.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 13.9240 4.2194 4.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.8319 2.2194 3.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7703 -1.3598 -2.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2310 -1.3296 -3.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7439 -2.5662 -5.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0588 -0.8316 -5.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9216 -2.0977 -5.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 2 3 1 0 |
| 2 5 1 0 |
| 3 4 2 0 |
| 3 6 1 0 |
| 6 7 1 0 |
| 7 8 1 0 |
| 7 10 1 0 |
| 8 9 2 0 |
| 8 15 1 0 |
| 10 11 1 0 |
| 11 12 1 0 |
| 12 13 1 0 |
| 13 14 1 0 |
| 15 16 1 0 |
| 16 17 1 0 |
| 16 19 1 0 |
| 17 18 2 0 |
| 17 24 1 0 |
| 19 20 1 0 |
| 20 21 1 0 |
| 21 22 2 0 |
| 21 23 1 0 |
| 24 25 1 0 |
| 25 26 1 0 |
| 25 28 1 0 |
| 26 27 2 0 |
| 26 31 1 0 |
| 28 29 1 0 |
| 28 30 1 0 |
| 31 32 1 0 |
| 32 33 1 0 |
| 32 35 1 0 |
| 33 34 2 0 |
| 33 36 1 0 |
| 36 37 1 0 |
| 37 38 1 0 |
| 37 40 1 0 |
| 38 39 2 0 |
| 38 47 1 0 |
| 40 41 1 0 |
| 41 42 1 0 |
| 42 43 1 0 |
| 43 44 1 0 |
| 44 45 2 0 |
| 44 46 1 0 |
| 47 48 1 0 |
| 48 49 1 0 |
| 48 51 1 0 |
| 49 50 2 0 |
| 49 63 1 0 |
| 51 52 1 0 |
| 52 53 1 0 |
| 53 54 1 0 |
| 54 55 1 0 |
| 55 56 1 0 |
| 56 57 1 0 |
| 57 58 2 0 |
| 57 62 1 0 |
| 58 59 1 0 |
| 59 60 2 0 |
| 60 61 1 0 |
| 61 62 2 0 |
| 63 64 1 0 |
| 64 65 1 0 |
| 64 67 1 0 |
| 65 66 1 0 |
| 65 69 2 0 |
| 67 68 1 0 |
| 1 70 1 0 |
| 1 71 1 0 |
| 1 72 1 0 |
| 2 73 1 1 |
| 5 74 1 0 |
| 5 75 1 0 |
| 5 76 1 0 |
| 6 77 1 0 |
| 7 78 1 6 |
| 10 79 1 0 |
| 10 80 1 0 |
| 11 81 1 0 |
| 11 82 1 0 |
| 12 83 1 0 |
| 12 84 1 0 |
| 13 85 1 0 |
| 13 86 1 0 |
| 14 87 1 0 |
| 14 88 1 0 |
| 14 89 1 0 |
| 15 90 1 0 |
| 16 91 1 6 |
| 19 92 1 0 |
| 19 93 1 0 |
| 20 94 1 0 |
| 20 95 1 0 |
| 23 96 1 0 |
| 23 97 1 0 |
| 24 98 1 0 |
| 25 99 1 6 |
| 28100 1 1 |
| 29101 1 0 |
| 30102 1 0 |
| 30103 1 0 |
| 30104 1 0 |
| 31105 1 0 |
| 32106 1 1 |
| 35107 1 0 |
| 35108 1 0 |
| 35109 1 0 |
| 36110 1 0 |
| 37111 1 1 |
| 40112 1 0 |
| 40113 1 0 |
| 41114 1 0 |
| 41115 1 0 |
| 42116 1 0 |
| 42117 1 0 |
| 43118 1 0 |
| 45119 1 0 |
| 45120 1 0 |
| 46121 1 0 |
| 46122 1 0 |
| 47123 1 0 |
| 48124 1 1 |
| 51125 1 0 |
| 51126 1 0 |
| 52127 1 0 |
| 52128 1 0 |
| 53129 1 0 |
| 53130 1 0 |
| 54131 1 0 |
| 54132 1 0 |
| 55133 1 0 |
| 55134 1 0 |
| 56135 1 0 |
| 56136 1 0 |
| 58137 1 0 |
| 59138 1 0 |
| 60139 1 0 |
| 61140 1 0 |
| 62141 1 0 |
| 63142 1 0 |
| 64143 1 6 |
| 67144 1 0 |
| 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 |
|
|
| $$$$ |
|
|
