Datasets:

posebusters_docking / 6YRV_PJ8 /6YRV_input_conf_2.sdf
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Add batch 3
73271a2 verified
6YRV_PJ8_AAA_802
RDKit 3D
53 52 0 0 0 0 0 0 0 0999 V2000
8.3340 0.7406 -0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3979 -0.4526 -0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0632 -0.1231 0.4657 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1865 0.8229 -0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8539 1.1613 0.3176 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9055 -0.0344 0.4309 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.6909 0.8391 1.9907 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0826 -1.5918 1.7118 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4269 -1.2404 0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5413 -0.1164 2.8032 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3209 -1.3855 1.8841 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5037 0.7461 1.6414 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0580 1.5600 1.1026 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5232 1.1268 -0.7878 H 0 0 0 0 0 0 0 0 0 0 0 0
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-2.8705 -1.1283 -1.7023 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0497 -1.8647 -0.3515 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4674 -2.1247 -0.1467 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8234 -1.2140 1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6557 0.9128 0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9204 -0.2668 0.5061 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8951 -0.9159 -1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6230 0.2643 -2.2188 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1331 2.1143 -1.4904 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6879 1.2385 -2.9130 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5917 1.6512 -1.4635 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2681 -0.0902 -1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7888 0.9117 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
$$$$