| 6dql_ligand | |
| RDKit 3D | |
| 159161 0 0 0 0 0 0 0 0999 V2000 | |
| 7.8232 1.2264 3.2828 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 8.5749 0.5264 2.1683 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 7.5238 0.1165 1.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.5255 0.8334 0.9879 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.3991 -0.6031 2.7897 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.6575 -0.9294 1.9769 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.8519 0.4363 2.1026 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.6941 0.2263 0.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.6823 -1.0295 0.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.7883 -1.3968 -0.7261 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 5.4796 -2.0446 -0.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.0122 -3.0778 -0.6795 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.4929 -2.3329 -1.7282 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.8613 -1.8626 -2.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.0410 -2.5617 -1.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.2049 -0.6313 -2.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.0673 -1.8218 -2.4689 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.5927 -0.6225 -2.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.4716 0.4778 -3.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.2790 0.4455 -3.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.1429 1.5543 -3.8357 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.5277 1.5391 -3.9713 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8297 -1.2946 0.7480 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4704 -1.5853 1.2017 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 2.6248 -0.2905 1.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6582 -0.0908 1.8936 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4188 -2.3147 2.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2540 -1.7829 3.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7145 -2.2331 3.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.1728 -0.2750 3.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9801 0.5799 0.1451 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1087 1.7110 -0.2129 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 1.1247 1.1942 -1.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1012 1.6046 -2.4444 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9450 2.9071 -0.6974 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2733 3.9290 0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.1049 5.0799 -0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0094 3.3215 1.6068 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3130 0.1765 -0.8358 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9176 -0.2183 -1.5353 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -2.0114 0.3327 -0.5998 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9255 0.2064 0.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9501 -1.7500 -1.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5705 -2.2547 -2.9852 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1445 -3.7066 -3.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0940 -2.1734 -2.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0105 1.0480 -1.2167 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1299 1.5725 -0.4363 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -5.2087 0.4891 -0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2529 -0.5362 -0.8987 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6955 2.8692 -1.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.7111 2.7359 -2.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.1543 2.0487 -3.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.2278 4.1306 -2.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.1119 0.7930 0.7706 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.4316 0.1377 0.8364 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -8.4392 1.2692 0.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.0606 2.4428 0.4303 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.6541 -0.4771 2.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.4683 -1.7522 2.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.9303 -2.9225 1.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.7728 -1.7865 2.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.6946 -4.0891 1.5528 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.5381 -2.9484 2.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.9990 -4.1032 2.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.7264 0.8499 0.2833 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.8498 1.8095 0.2357 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -11.5928 1.9683 1.6059 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -12.6352 2.6798 1.5964 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -11.7800 1.4936 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -12.2716 0.0336 -1.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -13.0871 -0.1090 -2.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -13.1086 -0.4348 0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.0714 1.3310 2.5727 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.1116 1.8378 2.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.3030 0.5727 3.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.4319 1.8128 3.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.1894 1.3109 1.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.7877 -1.5110 2.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.6961 -0.3515 3.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.1309 -1.8332 2.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.4079 -1.1052 0.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.9415 -0.8250 0.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.0511 0.5881 -0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.6180 0.8068 0.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3823 -1.7264 0.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.4988 -0.4657 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.5816 -3.3340 -1.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.8738 -2.4463 -2.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.2346 -3.5417 -1.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.0360 -2.1131 -2.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.3885 0.5010 -3.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.3559 0.4273 -3.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.5743 2.4036 -4.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.0298 2.3793 -4.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1234 -0.3233 0.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9967 -2.2400 0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7031 -3.3617 2.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3693 -2.3528 2.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8334 -2.2578 4.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7892 -3.3156 3.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2597 -1.7372 2.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2305 -1.9981 4.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6117 0.2882 3.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1351 0.0469 4.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7150 0.0106 4.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4460 0.1402 -0.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4983 2.0102 0.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8787 2.5515 -1.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4049 3.4486 -1.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3287 4.3555 0.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5785 5.5614 -0.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.0720 4.7191 -0.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2985 5.8460 0.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2752 4.0925 2.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3875 2.5871 2.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9325 2.8270 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2593 0.0599 0.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9630 0.2802 -2.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4725 -2.2004 -0.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0850 -2.1221 -1.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1849 -1.6473 -3.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0535 -3.7866 -3.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5505 -4.0630 -4.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4961 -4.3718 -2.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5336 -2.7988 -2.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4905 -2.5073 -3.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4368 -1.1499 -2.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2161 0.8070 -2.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7386 1.8245 0.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.1905 3.4240 -0.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8589 3.5032 -1.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.5760 2.1598 -1.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2088 2.5005 -3.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.9909 0.9823 -3.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8597 2.1232 -4.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.0055 4.0625 -3.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.6647 4.6351 -1.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4207 4.7588 -2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.1454 1.7606 1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.4973 -0.6053 0.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.6867 -0.7352 2.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.1226 0.2508 2.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.9179 -2.9223 1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.2150 -0.8928 3.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.2710 -4.9904 1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.5565 -2.9430 2.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.5973 -5.0059 1.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -10.4314 2.8060 0.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -12.6483 2.1674 -0.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.2346 1.7419 -1.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.4036 -0.6313 -1.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -13.4156 -1.1436 -2.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -12.4935 -0.5425 1.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -13.9214 0.2677 0.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| M CHG 2 1 1 69 -1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |