DockFormer / test_docking_pose.sdf
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Rename docking_pose (1).sdf to test_docking_pose.sdf
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OpenBabel09192409083D
36 40 0 0 0 0 0 0 0 0999 V2000
108.2560 -14.3390 -8.2420 N 0 0 0 0 0 0 0 0 0 0 0 0
108.0640 -15.5020 -7.5120 C 0 0 0 0 0 0 0 0 0 0 0 0
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111.7640 -12.1520 -9.2230 C 0 0 0 0 0 0 0 0 0 0 0 0
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109.4320 -13.5860 -8.5360 C 0 0 0 0 0 0 0 0 0 0 0 0
109.6780 -13.1990 -9.8650 C 0 0 0 0 0 3 0 0 0 0 0 0
110.8310 -12.4790 -10.2040 C 0 0 0 0 0 3 0 0 0 0 0 0
114.0540 -11.8750 -8.6550 C 0 0 0 0 0 1 0 0 0 0 0 0
112.9260 -11.4570 -9.4150 O 0 0 0 0 0 0 0 0 0 0 0 0
109.2010 -18.1590 -5.0960 C 0 0 0 0 0 0 0 0 0 0 0 0
110.5900 -18.2460 -5.2280 C 0 0 0 0 0 3 0 0 0 0 0 0
111.3670 -19.0330 -4.3580 C 0 0 0 0 0 3 0 0 0 0 0 0
110.7870 -19.7750 -3.3220 C 0 0 0 0 0 0 0 0 0 0 0 0
109.3970 -19.6900 -3.1960 C 0 0 0 0 0 3 0 0 0 0 0 0
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111.4390 -20.5420 -1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
110.6190 -19.8910 -0.3890 O 0 0 0 0 0 0 0 0 0 0 0 0
104.8990 -14.9150 -9.2940 C 0 0 0 0 0 0 0 0 0 0 0 0
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104.9260 -12.8600 -9.3540 H 0 0 0 0 0 0 0 0 0 0 0 0
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36 34 1 0 0 0 0
M END
> <minimizedAffinity>
41.9578323
$$$$