| 6dql_ligand | |
| RDKit 3D | |
| 159161 0 0 0 0 0 0 0 0999 V2000 | |
| 8.2021 -3.6668 -0.2230 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 7.8134 -2.7230 0.8819 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 7.7665 -1.2869 0.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.2116 -0.2992 0.8974 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.7361 -2.8806 2.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.2195 -3.2236 1.8714 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.9592 -2.4259 0.4177 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.6960 -2.8996 0.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.1708 -1.2384 -0.9298 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.3112 -0.0075 -1.7373 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 6.0765 0.8473 -1.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.0972 0.8899 -2.1546 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.3983 -0.3538 -3.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.5544 -1.2713 -3.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.4697 -2.5591 -4.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.9503 -0.9701 -3.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.7433 -3.0344 -4.2238 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.6644 -2.1019 -3.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.6761 0.1672 -2.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.0625 -2.1657 -3.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.0751 0.1225 -2.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.7551 -1.0285 -3.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.1168 1.3876 -0.1477 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9071 1.8765 0.5099 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 3.9568 0.6423 0.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3925 -0.5157 0.6802 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3306 3.1372 -0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2011 4.4184 -0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3419 4.9223 1.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.5766 4.2959 -0.7226 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6479 0.9243 0.9703 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6056 -0.0895 1.1124 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 0.2506 0.5573 0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1414 1.7743 0.5899 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6140 -0.7694 2.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8649 0.1302 3.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9093 -0.7363 4.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8217 1.2313 3.9039 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7936 -0.3237 0.5436 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1508 0.1801 0.3352 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -2.8244 0.3594 1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3579 -0.1203 2.7486 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.9868 -0.7869 -0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4322 -1.0513 -1.9327 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.3356 -2.0524 -2.6596 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3128 0.2286 -2.7619 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9956 1.0725 1.6766 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.7689 1.4245 2.8664 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -6.2544 1.5995 2.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.0160 2.3930 3.0174 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1823 2.6213 3.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2311 4.0103 2.9586 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6832 5.0618 3.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4543 4.0905 1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.6653 0.6920 1.5276 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.0523 0.5794 1.0578 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -8.2035 -0.8872 0.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.2509 -1.6698 0.6411 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.3147 1.6051 -0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.7348 2.1253 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.5493 1.8719 -1.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.2497 2.8869 0.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.8613 2.3465 -1.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.5617 3.3636 0.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -12.3686 3.0917 -0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.4740 -1.2386 0.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.6799 -2.4438 -0.6661 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
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| -11.1610 -2.8449 -0.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -12.2017 -3.7704 -2.6593 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -8.9938 -3.2230 -2.8379 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.1754 -3.4536 -0.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.1171 -4.6586 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.6435 -3.4569 -1.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.7863 -2.9893 1.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3238 -3.6704 2.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.6853 -1.9694 2.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.3123 -4.3071 1.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.7952 -2.9647 2.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.0707 -2.4955 1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.7959 -3.9865 0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.2978 -2.4948 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2175 -1.5953 -0.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.2066 0.5400 -1.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.4689 -0.8362 -3.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.4951 0.5688 -3.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.6160 -3.1544 -4.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.9843 -3.9217 -4.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.1664 1.0843 -2.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.6019 -3.0519 -4.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.6333 1.0024 -2.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.8438 -1.0368 -3.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.8587 1.0485 0.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2114 2.1276 1.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3689 3.3902 0.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.1074 2.9395 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6565 5.1939 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.9155 5.8538 1.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.8560 4.2020 2.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3608 5.1282 1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.2642 3.6839 -0.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.0401 5.2832 -0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.5040 3.8642 -1.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2907 1.8771 0.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.7927 -0.8608 0.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4143 -1.5227 2.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6832 -1.3312 2.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8475 0.6061 3.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1412 -0.1279 5.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9472 -1.2316 5.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6788 -1.5087 4.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1916 0.8210 3.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8775 1.9682 3.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9878 1.7726 4.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7507 -1.2081 1.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1032 1.1692 -0.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0708 -1.7456 0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0131 -0.4066 -0.6053 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 | |
| $$$$ | |