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/data/set2/dhfr00029.sdf

http://github.com/rajarshi/cdkr
Unknown | 126 lines | 126 code | 0 blank | 0 comment | 0 complexity | 2eae793acf89ce7a7bd29241cb45bdbb MD5 | raw file
  12-21c
  2  Cerius2 12180216023D 1   1.00000                          
  3 Structure written by MMmdl.
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112M  CHG  1  18   1
113M  END
114>  <Name>
1152-21c
116>  <Family>
117A
118>  <PC_uM>
11913.500000
120>  <TG_uM>
1211.380000
122>  <RL_uM>
1233.300000
124>  <set>
1252
126$$$$