/data/set2/dhfr00028.sdf

2-11g
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 36 38  0  0  0  0  0  0  0  0999 V2000
   -3.9035    0.1250   -0.6221 N   0  0  0  0  0  0
   -4.1192   -1.1100   -0.1716 C   0  0  0  0  0  0
   -3.2376   -1.8171    0.5344 N   0  0  0  0  0  0
   -2.0447   -1.2397    0.8188 C   0  0  0  0  0  0
   -1.7184    0.0474    0.3890 C   0  0  0  0  0  0
   -2.7104    0.6857   -0.3563 C   0  0  0  0  0  0
   -0.4287    0.6843    0.6950 C   0  0  0  0  0  0
    0.6958    0.4652   -0.1203 C   0  0  0  0  0  0
    1.9553    1.0486    0.1613 C   0  0  0  0  0  0
    2.0608    1.9011    1.2710 C   0  0  0  0  0  0
    0.9390    2.1201    2.0864 C   0  0  0  0  0  0
   -0.2881    1.5168    1.8071 C   0  0  0  0  0  0
   -5.3183   -1.6900   -0.4474 N   0  0  0  0  0  0
   -2.5611    1.9821   -0.8158 N   0  0  0  0  0  0
    3.4515    2.8339    1.7004 Cl  0  0  0  0  0  0
   -1.5817   -3.4221    2.0780 C   0  0  0  0  0  0
   -1.0628   -2.0593    1.6333 C   0  0  0  0  0  0
    3.0312    0.7177   -0.7123 N   0  0  0  0  0  0
    4.3940    0.8425   -0.5685 C   0  0  0  0  0  0
    4.9346    0.3667   -1.7371 C   0  0  0  0  0  0
    3.9382   -0.0626   -2.5551 N   0  0  0  0  0  0
    2.7880    0.1235   -1.9240 N   0  0  0  0  0  0
    0.5760   -0.1976   -0.9788 H   0  0  0  0  0  0
    1.0065    2.7842    2.9473 H   0  0  0  0  0  0
   -1.1368    1.7152    2.4606 H   0  0  0  0  0  0
   -5.5074   -2.6245   -0.1172 H   0  0  0  0  0  0
   -6.0094   -1.1826   -0.9794 H   0  0  0  0  0  0
   -1.6398    2.2930   -1.1050 H   0  0  0  0  0  0
   -3.3371    2.3505   -1.3561 H   0  0  0  0  0  0
   -0.8161   -3.9439    2.6612 H   0  0  0  0  0  0
   -1.8363   -4.0510    1.2183 H   0  0  0  0  0  0
   -2.4739   -3.3225    2.7054 H   0  0  0  0  0  0
   -0.7865   -1.4930    2.5305 H   0  0  0  0  0  0
   -0.1558   -2.2169    1.0381 H   0  0  0  0  0  0
    4.8757    1.2050    0.3224 H   0  0  0  0  0  0
    5.9781    0.2972   -2.0136 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 17  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 23  1  0  0  0
  9 10  2  0  0  0
  9 18  1  0  0  0
 10 11  1  0  0  0
 10 15  1  0  0  0
 11 12  2  0  0  0
 11 24  1  0  0  0
 12 25  1  0  0  0
 13 26  1  0  0  0
 13 27  1  0  0  0
 14 28  1  0  0  0
 14 29  1  0  0  0
 16 17  1  0  0  0
 16 30  1  0  0  0
 16 31  1  0  0  0
 16 32  1  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
 18 19  1  0  0  0
 18 22  1  0  0  0
 19 20  2  0  0  0
 19 35  1  0  0  0
 20 21  1  0  0  0
 20 36  1  0  0  0
 21 22  2  0  0  0
M  END
>  <Name>
2-11g
>  <Family>
A
>  <PC_uM>
24.800000
>  <TG_uM>
0.280000
>  <RL_uM>
0.380000
>  <set>
1
$$$$