| 6d07_ligand | |
| RDKit 3D | |
| 153152 0 0 0 0 0 0 0 0999 V2000 | |
| 9.8304 1.1424 -1.9817 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 10.7528 0.1510 -1.3180 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 9.9664 -1.1602 -1.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.0730 -2.0763 -1.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.3979 0.7734 -0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.8930 0.3912 0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.5994 1.1651 1.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 15.1293 1.0840 1.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 15.6277 -0.1673 1.7536 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 8.9943 -1.1474 -0.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.6789 -1.7751 -0.4223 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 6.8479 -0.5942 -1.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.3863 0.5213 -1.1463 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.1285 -2.5016 0.8109 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.6116 -1.6129 1.9502 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1731 -1.1991 1.7256 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4635 -1.7073 0.8644 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7182 -0.1848 2.5002 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5752 -0.8352 -1.4688 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7137 0.2756 -1.9274 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 3.1781 0.0075 -1.9029 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3771 0.6571 -2.5843 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1570 0.8584 -3.2965 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 4.6729 2.1995 -3.4385 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7585 0.0040 -4.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7422 -0.8736 -0.9435 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3397 -0.9132 -0.5301 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 1.1312 0.0845 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0573 0.5251 1.3155 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9493 -2.3160 -0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1898 0.4430 0.8414 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7274 0.9630 2.1113 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -2.2576 1.1108 1.9352 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8968 2.1056 2.2535 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0631 2.1987 2.7439 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2473 3.5804 2.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4703 3.7676 0.7724 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3058 3.2381 -0.3521 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2521 2.7643 -1.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5468 2.9335 -1.7289 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -0.4927 2.0929 -2.3566 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8415 -0.0125 1.3870 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3015 -0.1988 1.4029 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -4.9365 0.1412 0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0786 1.6330 -0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.1741 2.3598 0.5274 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.6170 1.8368 0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.3472 2.0081 -0.8956 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -4.4908 -1.6851 1.7897 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5123 -2.3966 2.0227 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.0552 3.3127 -1.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.0463 0.8369 -1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.8554 1.9373 -0.6136 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.7827 -2.1078 1.9126 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.1228 -3.4295 2.4398 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -7.5833 -3.7420 2.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.3345 -4.4058 2.7884 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.9223 -3.5018 3.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.5593 -2.3830 4.6052 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.9619 -3.2795 0.8370 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.3708 -3.1649 0.4533 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -9.4073 -2.9710 -1.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.1783 -2.2087 -1.6577 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.1029 -2.0089 1.1901 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -9.1708 -1.0813 1.7957 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.0765 -2.5332 2.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.5177 -3.8106 -1.7420 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.8794 -3.2623 -2.9451 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.9240 -2.0841 -2.5998 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.4813 -2.0762 -1.4025 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -6.7488 -1.2167 -3.5005 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.1546 2.1140 -1.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.8545 1.0970 -1.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.7302 0.8664 -2.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.5278 -0.0431 -2.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.3430 1.8660 -0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.8755 0.4869 0.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.9966 -0.6909 0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.3944 0.6272 -0.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.3209 2.2242 1.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.2371 0.8133 2.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 15.5068 1.0923 0.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 15.5918 1.9071 1.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 15.4944 -0.1803 2.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 15.2001 -1.0233 1.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 16.6431 -0.2588 1.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.9019 -0.3116 0.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.8149 -2.5048 -1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.9316 -3.1298 1.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3449 -3.1988 0.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.6337 -2.1802 2.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.2365 -0.7245 2.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7263 0.0409 2.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.0739 -0.0563 3.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1048 -1.6925 -1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8449 1.0706 -1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2480 0.9449 -3.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6651 2.4166 -4.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2272 0.4000 -5.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.0757 -1.0338 -4.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6821 0.0326 -4.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3970 -1.1157 -0.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7098 -0.6031 -1.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5334 -2.6355 0.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1093 -2.3627 0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1220 -3.0422 -0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8713 -0.0943 0.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.5843 0.1392 2.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0072 2.0181 2.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.4754 2.2830 3.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3040 3.8449 1.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1719 4.3097 2.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4453 3.2814 0.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6148 4.8392 0.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3051 3.1131 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1457 3.5094 -1.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9977 2.4023 -2.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0566 1.6722 -3.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4923 1.9663 -2.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3599 -0.8935 1.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.7357 0.4000 2.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3488 -0.3281 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.9319 -0.2988 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1210 2.1397 -0.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2704 1.7543 -1.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8885 2.3308 1.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.1469 3.4230 0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.6864 0.7871 0.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.2045 2.4065 1.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.2165 4.1317 -0.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.0225 3.3003 -1.9604 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.7372 3.4127 -2.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.2746 -0.0859 -1.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.0001 0.8937 -2.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.6897 0.9328 -2.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.4020 1.9946 -1.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.1246 2.7880 0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.0701 0.9950 -0.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.5395 -1.4335 1.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4941 -4.1826 1.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.8597 -3.4439 4.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.3238 -4.4286 4.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.7664 -2.6739 5.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.2868 -2.7240 0.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.8708 -4.1219 0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.7014 -1.4164 0.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.3450 -1.1002 2.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.5609 -3.1121 3.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.8492 -3.1610 1.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.5643 -1.6989 2.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -8.6468 -2.9524 -3.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.2692 -4.0495 -3.3925 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 10 1 0 | |
| 5 6 1 0 | |
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| 10 11 1 0 | |
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| 12 13 2 0 | |
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| 69 71 2 0 | |
| 1 72 1 0 | |
| 1 73 1 0 | |
| 1 74 1 0 | |
| 2 75 1 6 | |
| 5 76 1 0 | |
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| 54139 1 0 | |
| 55140 1 6 | |
| 58141 1 0 | |
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| 60144 1 0 | |
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| 64146 1 6 | |
| 65147 1 0 | |
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| 66150 1 0 | |
| 67151 1 0 | |
| 68152 1 0 | |
| 68153 1 0 | |
| M CHG 5 1 1 9 1 40 1 48 1 70 -1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |