/data/set2/dhfr00003.sdf

1-7364
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 27 28  0  0  0  0  0  0  0  0999 V2000
   -2.7897   -0.3579    0.5077 N   0  0  0  0  0  0
   -2.8038   -1.6260    0.0973 C   0  0  0  0  0  0
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    0.8560    0.4222    0.0267 C   0  0  0  0  0  0
    1.7528    0.3416    1.1048 C   0  0  0  0  0  0
    2.9770    1.0201    1.0719 C   0  0  0  0  0  0
    3.3185    1.7913   -0.0436 C   0  0  0  0  0  0
    2.4338    1.8805   -1.1200 C   0  0  0  0  0  0
    1.2124    1.2015   -1.0843 C   0  0  0  0  0  0
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    4.8129    2.6537   -0.1514 Cl  0  0  0  0  0  0
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    4.0227    0.8619    2.4406 Cl  0  0  0  0  0  0
    1.4941   -0.2567    1.9774 H   0  0  0  0  0  0
    2.6846    2.4775   -1.9943 H   0  0  0  0  0  0
    0.5366    1.2869   -1.9351 H   0  0  0  0  0  0
   -4.0319   -3.2493   -0.1933 H   0  0  0  0  0  0
   -4.8246   -1.8151    0.4297 H   0  0  0  0  0  0
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    1.3884   -2.5051   -0.0727 H   0  0  0  0  0  0
    1.0654   -1.9276   -1.7346 H   0  0  0  0  0  0
    0.3231   -3.4194   -1.1462 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 13  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 16  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 14  1  0  0  0
  7  8  2  0  0  0
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 16 25  1  0  0  0
 16 26  1  0  0  0
 16 27  1  0  0  0
M  END
>  <Name>
1-7364
>  <Family>
A
>  <PC_uM>
1.68
>  <TG_uM>
3.7
>  <RL_uM>
0.32
>  <set>
1
$$$$