| 5zk9_ligand | |
| RDKit 3D | |
| 263264 0 0 0 0 0 0 0 0999 V2000 | |
| -1.5366 3.9416 4.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4167 3.9299 3.8163 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7112 3.2711 6.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3282 4.5613 4.5037 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0760 5.1761 3.2434 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 1.5018 4.6592 2.9124 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1340 3.9355 3.6768 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0439 6.7098 3.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3219 7.3280 3.6889 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4013 7.1056 2.6327 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0578 7.7552 1.3597 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5327 7.3789 0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4549 6.4214 0.0403 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -2.0714 7.9731 -0.9450 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9839 5.0540 1.6896 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3376 4.8477 1.1590 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 3.8058 3.3889 0.9069 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4255 3.0757 -0.1056 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4731 5.7229 1.7598 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 4.8054 5.5249 3.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2845 7.1972 1.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.1141 6.4553 4.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6144 2.5030 1.9415 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7008 1.5717 2.2625 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
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| 5.9986 -0.1658 1.1814 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5398 1.0819 3.7303 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
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| 3.2280 0.3195 3.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.8043 0.0583 5.7148 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 5.3617 -4.1931 0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0268 -4.0157 2.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 3.9928 -2.4661 -4.9521 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2520 -2.5662 -6.1617 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1756 -3.8824 -3.0114 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4149 -5.1226 -2.8614 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
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| 2.1100 -7.7341 -2.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8809 -8.3836 -2.9284 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0262 -9.1392 -2.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2376 -9.4494 -0.9429 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
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| -2.5615 -3.6672 -4.8795 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
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| 0.4893 0.2730 -3.9596 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0151 1.4897 -4.5857 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
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| 1.6846 1.2575 -5.9539 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8316 2.2522 -6.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1036 2.3142 -7.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.1187 1.8587 -5.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6079 3.0495 -3.4388 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1329 2.9074 -2.0569 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -1.1927 3.5861 -1.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6163 4.7299 -1.3991 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2672 3.5381 -1.8201 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6839 4.7452 -2.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2094 4.8333 -2.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1450 6.0803 -2.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0281 0.6470 0.6551 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7500 2.9934 -0.0668 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1504 0.9947 0.6996 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1886 1.5865 0.1700 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -2.8819 0.9779 -1.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4883 0.9714 -0.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.5870 -0.4921 -0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2611 1.5327 -1.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.1492 1.6596 1.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -0.6313 -1.5416 1.8283 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
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| -0.5098 -1.0808 3.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -4.8104 -5.6580 1.1560 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9343 -4.6250 3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.3254 -3.9752 3.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.1980 -4.4773 4.7794 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.6969 -4.3345 4.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.1509 -5.3753 3.5669 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -3.0110 -4.9461 -0.0072 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7077 3.5015 6.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6014 2.1903 5.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 0.4234 4.3354 5.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.5835 4.8263 2.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7501 7.0200 4.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -1.6765 6.9382 4.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1787 8.4078 3.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -2.5441 6.0367 2.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4040 8.5281 1.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -3.9298 6.0345 0.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 1.4088 5.6680 1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2087 5.2121 0.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3854 5.4053 1.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.8862 5.6817 3.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6396 4.4853 3.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1188 7.8014 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3568 7.6066 1.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2533 7.3198 0.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0263 6.4088 4.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3896 6.1822 5.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4203 7.4925 4.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1721 2.9191 2.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.6238 2.1640 2.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4867 1.9778 4.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7873 -0.7076 3.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.6828 0.7941 3.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3645 0.9443 3.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0957 0.0070 4.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1890 -0.5686 3.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7985 1.0125 6.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -7.6902 -5.3056 2.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.9669 -6.3214 3.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.3117 -5.3858 -0.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0351 -4.6598 0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| M CHG 3 13 1 58 1 119 1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |