| 6dql_ligand | |
| RDKit 3D | |
| 159161 0 0 0 0 0 0 0 0999 V2000 | |
| 8.8700 -3.7157 0.0882 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 8.6501 -3.2878 1.5208 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 8.7672 -1.7567 1.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.5439 -1.2273 2.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.5836 -4.0894 2.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.0805 -3.9084 2.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.0842 -4.9208 3.2939 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.8377 -6.5675 2.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.9524 -1.0232 0.8414 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.0269 0.4588 0.7739 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 6.6784 1.0043 0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.4722 2.1825 -0.0082 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.1744 0.8646 -0.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.5723 2.3033 -0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.2872 2.9052 0.9194 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.2991 3.3203 -1.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.4319 4.2293 0.6124 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.8403 4.5142 -0.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.6177 3.3426 -2.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.7231 5.7294 -1.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.4946 4.5489 -3.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.0422 5.7213 -2.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.6947 0.0348 0.1026 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4069 0.4064 -0.4928 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 3.3562 -0.6278 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6762 -1.6201 0.6112 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5012 0.5670 -2.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6141 -0.7324 -2.8541 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6465 -0.3689 -4.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.8376 -1.5848 -2.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0690 -0.3218 -0.4039 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9044 -1.1154 -0.0321 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -0.0831 -1.1109 -1.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1456 -0.4715 -2.2472 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2816 -0.6626 1.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0532 0.8324 1.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1762 1.6790 1.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8443 1.4828 0.3937 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2061 -1.8801 -1.0499 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2723 -1.9776 -2.0616 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -3.5986 -2.3091 -1.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.5362 -2.8974 -1.8508 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9100 -3.0356 -3.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2511 -2.6872 -4.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4523 -1.4920 -5.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7449 -2.4777 -4.8282 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -5.4339 -0.3341 0.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6645 0.6259 0.5781 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -5.8800 -2.2541 3.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -6.0579 -0.9976 3.9181 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.7991 -0.2138 0.5640 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.4676 1.0953 0.4944 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -8.9655 0.9995 0.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.6995 1.9830 0.9076 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.3405 1.6924 -0.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.2275 3.1990 -0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.3316 3.9973 -1.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0154 3.8208 -0.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.2279 5.3898 -1.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.9136 5.2143 -0.5612 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.0182 5.9964 -0.8852 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.4058 -0.2913 1.0961 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -11.6562 -1.7658 3.5469 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
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| -12.3572 -0.4769 -0.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.4572 0.0677 -1.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -13.5014 -1.2724 -1.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.4157 -1.9259 3.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.7281 -3.2979 -0.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.9322 -4.7375 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.0869 -3.4221 -0.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.6130 -3.5656 1.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.3670 -3.8082 3.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.3125 -5.1481 2.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.3404 -4.1733 1.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.3826 -2.8711 2.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.8007 -6.8907 2.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.1126 -6.5755 1.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.4848 -7.2721 3.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.3131 -1.4419 0.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.1816 0.8378 1.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.0700 0.2660 0.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.9027 0.6064 -1.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.6889 2.5078 1.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.8806 4.9266 1.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.1679 2.4403 -2.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.1439 6.6463 -0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.9623 4.5686 -3.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.9335 6.6505 -3.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5930 -0.5881 0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.1082 1.3656 -0.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6051 1.1017 -2.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3490 1.2159 -2.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7191 -1.3442 -2.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7549 0.2061 -4.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6682 -1.2692 -4.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5290 0.2361 -4.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.7600 -0.9941 -2.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.9410 -2.4147 -3.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7481 -2.0304 -1.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8861 0.4204 -1.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2317 -2.1567 0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6453 -1.2272 1.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9573 -0.9741 2.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6959 0.8637 2.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8680 2.6558 2.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.7957 1.1970 2.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.7955 1.8687 0.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2454 1.5973 -0.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1782 2.4852 0.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7345 0.8990 0.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3096 -2.4709 -0.2322 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 | |
| $$$$ | |