Datasets:

posebusters_docking / 7BMI_U4B /7BMI_input_conf_4.sdf
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Add batch 5
1437703 verified
7BMI_U4B_A_802
RDKit 3D
17 17 0 0 0 0 0 0 0 0999 V2000
-2.3867 -0.8296 0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1356 -0.0510 0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2422 1.3415 0.1771 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0850 2.0928 0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2265 0.1885 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6095 -0.3515 -0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1183 -0.6452 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2470 -1.9772 -0.1050 F 0 0 0 0 0 0 0 0 0 0 0 0
1.1417 1.5506 -0.0093 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2778 -2.0591 -0.3786 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4491 -0.4076 0.5613 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5739 0.2375 -0.6509 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7481 -1.5965 0.3003 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2077 1.8291 0.2797 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1129 3.1785 0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1708 -2.4538 -0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6983 -1.7990 0.1676 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
5 6 1 0
2 7 1 0
5 7 2 0
7 8 1 0
4 9 2 0
5 9 1 0
1 10 1 0
1 11 2 0
6 12 2 0
6 13 1 0
3 14 1 0
4 15 1 0
10 16 1 0
13 17 1 0
M END
$$$$