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/data/set2/dhfr00031.sdf

http://github.com/rajarshi/cdkr
Unknown | 132 lines | 132 code | 0 blank | 0 comment | 0 complexity | a8264b8524abb989adcd3e025810aec4 MD5 | raw file
    

  1. 2-23b
    2. 

  2.   Cerius2 12180216023D 1   1.00000                          
    3. 

  3.  Structure written by MMmdl.
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    119. 

  119. M  END
    120. 

  120. >  <Name>
    121. 

  121. 2-23b
    122. 

  122. >  <Family>
    123. 

  123. A
    124. 

  124. >  <PC_uM>
    125. 

  125. 1.300000
    126. 

  126. >  <TG_uM>
    127. 

  127. 0.080000
    128. 

  128. >  <RL_uM>
    129. 

  129. 0.990000
    130. 

  130. >  <set>
    131. 

  131. 1
    132. 

  132. $$$$
    133. 

  133.