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/data/set2/dhfr00036.sdf

http://github.com/rajarshi/cdkr
Unknown | 84 lines | 84 code | 0 blank | 0 comment | 0 complexity | f88cad759b774970f0429113f1b690dd MD5 | raw file
 13-8
 2  Cerius2 12180216023D 1   1.00000                          
 3 Structure written by MMmdl.
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70M  CHG  2  18   1  20  -1
71M  END
72>  <Name>
733-8
74>  <Family>
75A
76>  <PC_uM>
770.850000
78>  <TG_uM>
790.013000
80>  <RL_uM>
810.015000
82>  <set>
830
84$$$$