/data/set2/dhfr00010.sdf

1-211797
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 28 29  0  0  0  0  0  0  0  0999 V2000
   -2.7833   -0.3549    0.9982 N   0  0  0  0  0  0
   -2.7624   -1.6436    0.6633 C   0  0  0  0  0  0
   -1.6580   -2.3182    0.3452 N   0  0  0  0  0  0
   -0.4768   -1.6447    0.3620 C   0  0  0  0  0  0
   -0.3924   -0.2936    0.7001 C   0  0  0  0  0  0
   -1.6102    0.3028    1.0304 C   0  0  0  0  0  0
    0.8766    0.4483    0.7186 C   0  0  0  0  0  0
    1.6965    0.4385    1.8596 C   0  0  0  0  0  0
    2.9055    1.1405    1.8778 C   0  0  0  0  0  0
    3.3047    1.8619    0.7555 C   0  0  0  0  0  0
    2.5044    1.8881   -0.3838 C   0  0  0  0  0  0
    1.2954    1.1859   -0.4008 C   0  0  0  0  0  0
   -3.9428   -2.3180    0.6400 N   0  0  0  0  0  0
   -1.7055    1.6461    1.3463 N   0  0  0  0  0  0
    4.7928    2.7263    0.7773 Cl  0  0  0  0  0  0
    0.7374   -2.4563   -0.0343 C   0  0  0  0  0  0
    1.1010   -2.2638   -1.4469 C   0  0  0  0  0  0
    1.3971   -2.1221   -2.5645 N   0  0  0  0  0  0
    1.3981   -0.1180    2.7477 H   0  0  0  0  0  0
    3.5250    1.1181    2.7714 H   0  0  0  0  0  0
    2.8092    2.4518   -1.2624 H   0  0  0  0  0  0
    0.6787    1.2211   -1.2986 H   0  0  0  0  0  0
   -3.9556   -3.2954    0.3893 H   0  0  0  0  0  0
   -4.7984   -1.8371    0.8748 H   0  0  0  0  0  0
   -0.9414    2.0828    1.8514 H   0  0  0  0  0  0
   -2.6343    1.9800    1.5821 H   0  0  0  0  0  0
    0.5181   -3.5185    0.1336 H   0  0  0  0  0  0
    1.5851   -2.2271    0.6199 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 19  1  0  0  0
  9 10  2  0  0  0
  9 20  1  0  0  0
 10 11  1  0  0  0
 10 15  1  0  0  0
 11 12  2  0  0  0
 11 21  1  0  0  0
 12 22  1  0  0  0
 13 23  1  0  0  0
 13 24  1  0  0  0
 14 25  1  0  0  0
 14 26  1  0  0  0
 16 17  1  0  0  0
 16 27  1  0  0  0
 16 28  1  0  0  0
 17 18  3  0  0  0
M  END
>  <Name>
1-211797
>  <Family>
A
>  <PC_uM>
490
>  <TG_uM>
>100
>  <RL_uM>
188
>  <set>
1
$$$$