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/data/set2/dhfr00035.sdf

http://github.com/rajarshi/cdkr
Unknown | 121 lines | 121 code | 0 blank | 0 comment | 0 complexity | c8b50e8add2a1b57f04a8649c389c209 MD5 | raw file
  13-6-MBP
  2  Cerius2 12180216023D 1   1.00000                          
  3 Structure written by MMmdl.
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107M  CHG  2  25   1  27  -1
108M  END
109>  <Name>
1103-6-MBP
111>  <Family>
112A
113>  <PC_uM>
1141.600000
115>  <TG_uM>
1160.091000
117>  <RL_uM>
1180.003200
119>  <set>
1200
121$$$$