dhfr00033.sdf | searchcode

/data/set2/dhfr00033.sdf

http://github.com/rajarshi/cdkr
Unknown | 140 lines | 140 code | 0 blank | 0 comment | 0 complexity | 4a28f9b43365d99db3056e735d88b172 MD5 | raw file

2-24b
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
2-24b
>  <Family>
A
>  <PC_uM>
1.070000
>  <TG_uM>
0.020000
>  <RL_uM>
0.090000
>  <set>
2
$$$$