| 6d3z_ligand |
| RDKit 3D |
|
|
| 223230 0 0 0 0 0 0 0 0999 V2000 |
| -8.8135 2.6267 1.0875 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9138 3.6981 1.2781 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -6.5019 3.7852 0.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6702 4.2987 1.5441 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2393 3.3900 -0.5091 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5404 4.3666 -1.3988 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -4.1605 4.7227 -0.7988 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8207 5.8563 -0.4544 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5151 5.5288 -1.6341 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0284 6.6034 -2.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2237 7.3405 -3.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.6601 6.8084 -4.4593 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0194 7.0111 -5.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8639 7.6692 -5.7304 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -7.5443 6.5001 -6.7451 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3785 3.6065 -0.6513 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1456 3.5191 0.1148 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.9165 3.7021 -0.7954 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9603 3.4396 -2.0018 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0293 2.1889 0.8997 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9367 0.7995 0.1138 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2283 4.1709 -0.1769 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1915 4.9332 -0.9662 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 2.6659 4.5088 -0.6617 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0509 3.3698 -1.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8875 6.4340 -1.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0335 7.2995 0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8499 8.4346 0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3381 7.0295 1.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9975 9.2908 1.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4865 7.8906 2.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2995 9.0132 2.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4863 9.8538 3.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5930 5.4465 -0.2346 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7914 5.0883 0.5308 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 5.7524 4.0728 -0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3246 4.3394 -1.1724 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4293 4.8780 2.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9881 6.1804 2.7168 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7983 6.4078 4.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3009 7.5566 4.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3078 8.8452 4.1567 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 6.0153 2.9042 0.5705 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3075 2.2578 0.3460 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 7.4340 0.7773 0.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2551 0.4238 1.6293 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.4291 3.0783 1.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.1008 3.3829 2.4047 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7126 -0.0998 0.0162 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9894 -1.5326 -0.0829 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 6.3815 -2.3549 1.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4225 -1.9738 1.7602 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.4753 -1.8642 -0.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.1544 -0.9150 -1.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.5040 -1.4296 -1.8325 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.1545 -0.4043 -2.6186 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.3008 -0.5536 -3.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 13.0151 -1.6781 -3.2224 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 12.7390 0.4634 -4.0712 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9544 -3.6361 1.2491 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0962 -4.8121 0.9542 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 5.2096 -4.7533 -0.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8727 -3.6760 -0.8216 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3638 -5.1140 2.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2689 -4.5541 3.3457 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4219 -3.8631 2.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7764 -5.9290 -0.8782 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1541 -5.9543 -2.2088 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 2.6295 -6.0019 -2.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0130 -6.5436 -3.1542 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7455 -7.2207 -2.8315 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3572 -8.0358 -1.6796 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9555 -7.3012 -0.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9933 -5.3742 -1.1986 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5396 -5.4612 -1.0203 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.0783 -4.4651 0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7004 -4.2681 1.0963 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1436 -6.9439 -0.6810 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.8419 -7.5443 -1.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3601 -7.1605 0.7526 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2594 -7.0356 -1.6235 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1395 -3.8590 -0.2068 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8535 -3.0414 0.7824 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -3.3941 -3.1065 0.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1526 -2.1640 0.7690 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2885 -1.6245 0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4424 -0.5039 -0.4909 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8790 -4.3775 0.1500 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3477 -4.5829 0.0343 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -5.9767 -3.7554 -1.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3025 -3.0493 -1.9036 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0712 -4.3028 1.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1002 -5.5368 2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1447 -5.7306 3.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1542 -6.4784 2.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2590 -6.8156 4.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2443 -7.5487 3.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3227 -7.7288 4.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3431 -3.8357 -1.3355 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.0947 -2.6772 -1.8243 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -8.6623 -1.9641 -0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.0387 -2.5550 0.4559 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.1967 -3.3070 -2.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.4780 -4.6552 -1.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.2574 -4.9407 -1.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.7854 -0.5903 -0.6620 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.7487 0.1808 0.6003 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -8.6792 1.6379 0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4851 1.9860 -1.0182 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.5891 -0.2094 1.5137 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.1841 -0.6383 2.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.6025 0.1623 3.6739 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.2529 -1.9801 3.0605 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.1168 2.6219 2.2724 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4396 4.6419 1.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9843 2.8715 -0.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3961 3.8351 -2.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4774 5.1221 -1.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7583 6.0336 -0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3664 7.3101 -2.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4196 6.1564 -3.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.0975 7.3194 -2.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0062 8.4019 -3.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5572 6.3028 -4.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3869 8.0079 -4.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3716 7.7065 -6.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4532 6.0528 -6.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0663 6.5442 -7.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5394 2.8218 -1.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1440 4.3552 0.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4958 2.3363 1.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9842 1.9282 1.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2574 4.2768 0.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0940 4.5521 -1.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1405 6.5612 -1.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5241 6.8330 -1.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3643 8.7070 -0.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3349 6.1918 1.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5911 10.2000 1.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0873 7.6830 3.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6078 9.9301 3.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3740 6.4305 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3983 6.0041 0.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6106 4.1453 2.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2729 4.4461 2.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1018 7.0501 2.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9218 6.1243 2.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7868 5.4829 4.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8568 6.5860 3.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2817 7.3744 5.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9672 7.6819 5.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1674 8.9897 3.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5010 8.9210 3.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2117 9.6229 4.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5914 2.7099 1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5333 2.2626 -0.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.5693 4.0505 0.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.4038 2.5677 1.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2348 2.5443 2.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7439 0.1924 -0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4116 -1.8419 -0.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.0484 -1.8575 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.5306 -2.8825 -0.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.4791 -0.7235 -2.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.3178 0.0677 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.1373 -1.6437 -0.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.3697 -2.3308 -2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.7462 0.5327 -2.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.7302 -2.4802 -2.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 13.7201 -1.8287 -3.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 12.1850 1.3003 -4.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 13.6747 0.4512 -4.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8223 -5.6369 0.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3905 -4.6058 2.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1506 -6.1815 2.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6367 -5.3413 4.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7111 -3.8406 3.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2976 -4.5462 2.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7510 -2.9438 3.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 50161 1 6 |
| 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 6 |
| 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 1 |
| 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 |
|
|
| $$$$ |
|
|
