/data/set2/dhfr00011.sdf

1-211804
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 27 28  0  0  0  0  0  0  0  0999 V2000
   -2.8152   -0.2407    0.4681 N   0  0  0  0  0  0
   -2.8282   -1.5194    0.0990 C   0  0  0  0  0  0
   -1.7486   -2.1980   -0.2789 N   0  0  0  0  0  0
   -0.5526   -1.5361   -0.2931 C   0  0  0  0  0  0
   -0.4375   -0.1982    0.0805 C   0  0  0  0  0  0
   -1.6336    0.4019    0.4729 C   0  0  0  0  0  0
    0.8389    0.5312    0.0668 C   0  0  0  0  0  0
    1.6936    0.5056    1.1816 C   0  0  0  0  0  0
    2.9081    1.1985    1.1681 C   0  0  0  0  0  0
    3.2777    1.9275    0.0406 C   0  0  0  0  0  0
    2.4424    1.9703   -1.0727 C   0  0  0  0  0  0
    1.2282    1.2769   -1.0584 C   0  0  0  0  0  0
   -4.0175   -2.1769    0.1051 N   0  0  0  0  0  0
   -1.7000    1.7369    0.8267 N   0  0  0  0  0  0
    4.7721    2.7808    0.0240 Cl  0  0  0  0  0  0
    0.6707   -2.3199   -0.7376 C   0  0  0  0  0  0
    1.3156   -1.7756   -1.8159 F   0  0  0  0  0  0
    0.3858   -3.6079   -1.1188 F   0  0  0  0  0  0
    1.6236   -2.4506    0.2370 F   0  0  0  0  0  0
    1.4196   -0.0561    2.0745 H   0  0  0  0  0  0
    3.5549    1.1635    2.0418 H   0  0  0  0  0  0
    2.7237    2.5405   -1.9551 H   0  0  0  0  0  0
    0.5844    1.3257   -1.9363 H   0  0  0  0  0  0
   -4.0559   -3.1467   -0.1708 H   0  0  0  0  0  0
   -4.8561   -1.6907    0.3859 H   0  0  0  0  0  0
   -0.9134    2.1532    1.3139 H   0  0  0  0  0  0
   -2.6155    2.0754    1.1050 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
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 20  1  0  0  0
  9 10  2  0  0  0
  9 21  1  0  0  0
 10 11  1  0  0  0
 10 15  1  0  0  0
 11 12  2  0  0  0
 11 22  1  0  0  0
 12 23  1  0  0  0
 13 24  1  0  0  0
 13 25  1  0  0  0
 14 26  1  0  0  0
 14 27  1  0  0  0
 16 17  1  0  0  0
 16 18  1  0  0  0
 16 19  1  0  0  0
M  END
>  <Name>
1-211804
>  <Family>
A
>  <PC_uM>
>42
>  <TG_uM>
>42
>  <RL_uM>
>42
>  <set>
2
$$$$