| 5zk5_ligand |
| RDKit 3D |
|
|
| 246247 0 0 0 0 0 0 0 0999 V2000 |
| 3.3561 -10.5620 5.4488 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 1.8671 -10.5228 5.2424 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 1.5782 -9.7659 3.9258 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5283 -9.3960 3.2385 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2320 -9.8578 6.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2640 -9.6025 3.5763 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1291 -8.7207 2.4671 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.8969 -7.5207 3.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2384 -7.5165 4.2581 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9913 -9.4604 1.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1872 -10.2178 2.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2972 -10.4443 1.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9791 -9.1741 0.7468 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2720 -8.6507 -0.4467 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0982 -9.3192 -1.5849 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -4.7353 -7.4115 -0.4965 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2015 -6.5024 2.2004 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8854 -5.2689 2.6375 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -3.0532 -5.0564 1.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8701 -5.9609 1.4317 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8436 -4.1514 2.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1676 -2.9656 3.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8986 -1.6765 3.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5732 -3.1110 4.9666 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0111 -0.5697 3.9804 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7103 -1.9937 5.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4116 -0.7316 5.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5004 0.3817 6.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1327 -3.8584 0.9595 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1599 -3.6020 -0.0627 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -3.6717 -4.1821 -1.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9285 -5.3457 -1.7232 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5604 -2.1281 -0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3241 -1.7512 0.9996 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8297 -3.3958 -2.1751 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9142 -3.9881 -3.1609 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.0467 -2.8900 -3.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1717 -2.5561 -5.0152 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5425 -4.8743 -4.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6415 -4.2078 -5.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7001 -4.8465 -6.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3782 -4.0049 -7.4514 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8023 -2.9671 -8.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6028 -2.4829 -7.7473 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -4.4632 -2.3959 -9.1007 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1468 -2.2714 -2.9892 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1407 -2.9450 -2.7736 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 1.8409 -2.2324 -1.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6935 -1.3628 -1.7079 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9871 -3.0125 -4.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1749 -3.9782 -3.9672 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7837 -5.2724 -3.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6977 -5.8099 -3.6397 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 3.5022 -5.6027 -2.2877 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3081 -2.5762 -0.3518 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1394 -2.4817 0.8566 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 2.4872 -1.0970 1.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8392 -1.0280 2.6570 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3570 -3.4249 0.7723 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0618 -4.8726 1.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9435 -5.5652 0.4298 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7569 -5.2384 0.5036 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3021 -6.6254 -0.3359 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4534 0.0132 0.6627 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9776 1.3049 1.1219 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 1.8392 2.2773 1.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8812 1.9063 2.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9700 1.8923 0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3748 1.2531 0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0417 1.0496 1.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4021 -0.0368 -0.7936 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0629 3.6263 1.4020 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4829 4.6904 2.2260 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.1294 5.1645 1.6235 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7070 4.3577 1.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5199 5.8144 2.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8931 5.3668 2.9715 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8377 6.5707 3.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7924 4.7186 4.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2796 6.8339 -0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1302 6.5270 1.6501 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1701 6.2665 -1.0962 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3455 7.1560 1.0529 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -1.2169 8.7047 1.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6053 9.6793 0.7814 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8661 10.1913 2.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1229 9.6236 0.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6241 6.6442 1.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1111 7.2881 -1.0658 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1972 6.9778 -2.4553 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.9008 5.6020 -2.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4494 5.1112 -1.4861 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0126 8.0848 -3.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3829 8.3400 -2.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5258 7.8105 -3.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5366 9.1224 -1.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7902 8.0133 -2.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8061 9.3275 -0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9279 8.7652 -1.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7925 4.9296 -3.6809 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3855 3.6093 -3.9112 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.8959 2.5424 -2.8994 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5573 1.5762 -2.5349 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8924 3.6093 -4.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7839 4.0727 -3.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2499 3.8342 -3.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6870 3.3713 -4.3712 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0819 4.1973 -2.3120 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4432 2.6682 -2.5562 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0175 1.8112 -1.5260 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.2584 0.4309 -2.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8980 -0.4812 -1.6094 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3251 2.4226 -1.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7603 1.8359 0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7072 2.7869 1.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9086 2.4157 2.4748 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9381 2.3943 3.4047 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7063 2.8260 3.1667 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| -3.2203 1.9146 4.6174 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7384 -9.6089 5.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6581 -11.1036 6.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7939 -10.9716 4.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5456 -11.5636 5.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1397 -9.9472 6.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5713 -10.3209 7.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4703 -8.7909 6.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4442 -9.6653 4.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7643 -8.3209 1.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3673 -10.1843 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3432 -8.7409 0.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8366 -11.1853 2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5986 -9.6664 2.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0436 -11.1341 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8826 -10.8715 0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2271 -8.5711 1.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3027 -8.8731 -2.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7998 -10.2818 -1.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7335 -6.8611 -1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7056 -6.8248 0.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6531 -6.4198 1.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3562 -5.4570 3.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6119 -3.7901 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0944 -4.5642 3.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5311 -1.5193 2.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7435 -4.1003 5.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7247 0.4042 3.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0167 -2.1300 6.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2994 0.0813 7.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5578 -3.0769 1.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0574 -4.1751 0.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1695 -1.9471 -1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6905 -1.4738 -0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8533 -0.9706 0.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| -2.9369 -5.8014 -3.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 0.8752 -3.9436 -2.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3594 -3.3323 -4.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3553 -2.0150 -4.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0125 -3.5140 -3.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5223 -4.2052 -4.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7706 -3.4392 -0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4770 -2.8854 1.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7786 -3.4289 -0.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 80 89 1 0 |
| 83 81 1 1 |
| 84 83 1 0 |
| 83 88 1 0 |
| 87 84 1 0 |
| 85 86 1 0 |
| 85 87 1 0 |
| 89 90 1 0 |
| 90 91 1 0 |
| 90 93 1 0 |
| 91 92 2 0 |
| 91100 1 0 |
| 93 94 1 0 |
| 94 95 2 0 |
| 94 96 1 0 |
| 95 97 1 0 |
| 96 98 2 0 |
| 97 99 2 0 |
| 98 99 1 0 |
| 100101 1 0 |
| 101102 1 0 |
| 101104 1 0 |
| 102103 2 0 |
| 102109 1 0 |
| 104105 1 0 |
| 105106 1 0 |
| 106107 2 0 |
| 106108 1 0 |
| 109110 1 0 |
| 110111 1 0 |
| 110113 1 0 |
| 111112 2 0 |
| 113114 1 0 |
| 114115 1 0 |
| 115116 1 0 |
| 116117 1 0 |
| 117118 2 0 |
| 117119 1 0 |
| 1120 1 0 |
| 1121 1 0 |
| 1122 1 0 |
| 2123 1 6 |
| 5124 1 0 |
| 5125 1 0 |
| 5126 1 0 |
| 6127 1 0 |
| 7128 1 6 |
| 10129 1 0 |
| 10130 1 0 |
| 11131 1 0 |
| 11132 1 0 |
| 12133 1 0 |
| 12134 1 0 |
| 13135 1 0 |
| 15136 1 0 |
| 15137 1 0 |
| 16138 1 0 |
| 16139 1 0 |
| 17140 1 0 |
| 18141 1 1 |
| 21142 1 0 |
| 21143 1 0 |
| 23144 1 0 |
| 24145 1 0 |
| 25146 1 0 |
| 26147 1 0 |
| 28148 1 0 |
| 29149 1 0 |
| 30150 1 1 |
| 33151 1 0 |
| 33152 1 0 |
| 34153 1 0 |
| 35154 1 0 |
| 36155 1 1 |
| 39156 1 0 |
| 39157 1 0 |
| 40158 1 0 |
| 40159 1 0 |
| 41160 1 0 |
| 41161 1 0 |
| 42162 1 0 |
| 44163 1 0 |
| 44164 1 0 |
| 45165 1 0 |
| 45166 1 0 |
| 46167 1 0 |
| 47168 1 1 |
| 50169 1 0 |
| 50170 1 0 |
| 51171 1 0 |
| 51172 1 0 |
| 55173 1 0 |
| 56174 1 1 |
| 59175 1 0 |
| 59176 1 0 |
| 60177 1 0 |
| 60178 1 0 |
| 63179 1 0 |
| 63180 1 0 |
| 64181 1 0 |
| 65182 1 1 |
| 68183 1 0 |
| 68184 1 0 |
| 69185 1 0 |
| 70186 1 0 |
| 70187 1 0 |
| 70188 1 0 |
| 71189 1 0 |
| 71190 1 0 |
| 71191 1 0 |
| 72192 1 0 |
| 73193 1 1 |
| 76194 1 0 |
| 76195 1 0 |
| 77196 1 0 |
| 78197 1 0 |
| 78198 1 0 |
| 78199 1 0 |
| 79200 1 0 |
| 79201 1 0 |
| 79202 1 0 |
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| 84204 1 0 |
| 84205 1 0 |
| 85206 1 0 |
| 85207 1 0 |
| 86208 1 0 |
| 86209 1 0 |
| 86210 1 0 |
| 87211 1 0 |
| 87212 1 0 |
| 88213 1 0 |
| 88214 1 0 |
| 88215 1 0 |
| 89216 1 0 |
| 90217 1 6 |
| 93218 1 0 |
| 93219 1 0 |
| 95220 1 0 |
| 96221 1 0 |
| 97222 1 0 |
| 98223 1 0 |
| 99224 1 0 |
| 100225 1 0 |
| 101226 1 6 |
| 104227 1 0 |
| 104228 1 0 |
| 105229 1 0 |
| 105230 1 0 |
| 108231 1 0 |
| 108232 1 0 |
| 109233 1 0 |
| 110234 1 1 |
| 111235 1 0 |
| 113236 1 0 |
| 113237 1 0 |
| 114238 1 0 |
| 114239 1 0 |
| 115240 1 0 |
| 115241 1 0 |
| 116242 1 0 |
| 118243 1 0 |
| 118244 1 0 |
| 119245 1 0 |
| 119246 1 0 |
| M CHG 5 1 1 15 1 44 1 53 -1 118 1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
