| 6dql_ligand | |
| RDKit 3D | |
| 159161 0 0 0 0 0 0 0 0999 V2000 | |
| 9.2664 -1.8069 -3.0611 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 7.8987 -2.1719 -2.5504 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 7.7550 -1.9161 -1.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.0900 -2.6277 -0.2829 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.5247 -3.6028 -2.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.6178 -4.6832 -2.9933 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.8858 -4.5376 -1.6969 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.8851 -5.9970 -2.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.4078 -0.7893 -0.5792 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3815 -0.3609 0.8307 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 7.3716 0.8025 0.9108 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.6957 1.9755 1.0801 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.7832 0.0405 1.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.6557 0.6426 0.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.7490 1.9773 -0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.5075 -0.0682 -0.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.6049 2.1042 -1.1317 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.0265 0.8619 -1.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.8601 -1.4237 -0.7947 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.8547 0.4943 -2.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.6914 -1.8064 -1.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.1700 -0.8589 -2.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0686 0.4202 0.6808 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9644 1.3713 0.7346 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 3.7229 0.6565 1.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6896 -0.5612 1.4523 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7344 2.0770 -0.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 4.6696 2.1086 -3.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8412 0.0686 -1.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7055 1.5073 1.6892 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4178 0.9799 2.1464 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 0.5033 0.7151 0.9286 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8071 1.0693 -0.2118 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7882 1.8927 3.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7139 3.4059 2.9123 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1053 3.7533 1.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1205 4.1351 4.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6574 0.0326 1.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -2.9470 0.7077 0.7822 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -2.6941 -2.4059 1.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6787 -2.8198 2.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.3326 -3.6714 0.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 7.2078 -1.4713 -3.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 8.5743 -0.0108 -1.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.9972 -1.1661 1.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.2840 -0.8553 1.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.7120 0.7266 2.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.2785 2.8541 0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.8771 2.9841 -1.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.5111 -2.1657 -0.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.2692 1.2394 -3.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.9903 -2.8475 -1.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.8351 -1.1675 -3.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.8127 -0.5651 0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2295 2.1390 1.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4879 2.8710 -0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7652 2.5894 -0.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 2.6480 2.3974 1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5983 -0.0035 2.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2123 1.5293 3.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3879 1.7738 4.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.7309 3.7956 2.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2592 4.8352 1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0902 3.2788 1.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4095 3.4466 0.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1062 5.2165 3.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7166 3.9421 5.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9058 3.8097 4.3212 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 | |
| $$$$ | |