1-330463
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 31 32  0  0  0  0  0  0  0  0999 V2000
   -3.0705    0.2108    0.6587 N   0  0  0  0  0  0
   -3.1463   -1.0845    0.3580 C   0  0  0  0  0  0
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   -1.8698    0.8067    0.5503 C   0  0  0  0  0  0
    0.5753    0.8151   -0.0323 C   0  0  0  0  0  0
    1.4703    0.9073    1.0485 C   0  0  0  0  0  0
    2.7025    1.5570    0.8862 C   0  0  0  0  0  0
    3.0641    2.1166   -0.3334 C   0  0  0  0  0  0
    2.1830    2.0311   -1.4132 C   0  0  0  0  0  0
    0.9490    1.3870   -1.2615 C   0  0  0  0  0  0
   -4.3544   -1.6982    0.4771 N   0  0  0  0  0  0
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    4.5753    2.9170   -0.5515 Cl  0  0  0  0  0  0
   -0.1082   -3.5329   -0.9130 C   0  0  0  0  0  0
    0.2409   -2.0687   -0.6698 C   0  0  0  0  0  0
    3.5772    1.6454    1.9589 N   0  3  0  0  0  0
    4.2616    1.7097    2.8125 N   0  0  0  0  0  0
    1.2100    0.4765    2.0144 H   0  0  0  0  0  0
    2.4435    2.4635   -2.3772 H   0  0  0  0  0  0
    0.2746    1.3364   -2.1167 H   0  0  0  0  0  0
   -4.4394   -2.6788    0.2552 H   0  0  0  0  0  0
   -5.1563   -1.1693    0.7859 H   0  0  0  0  0  0
   -1.0407    2.5747    1.2493 H   0  0  0  0  0  0
   -2.7516    2.5464    1.1446 H   0  0  0  0  0  0
    0.7761   -4.0779   -1.2586 H   0  0  0  0  0  0
   -0.8862   -3.6350   -1.6771 H   0  0  0  0  0  0
   -0.4638   -4.0143    0.0042 H   0  0  0  0  0  0
    1.0490   -2.0311    0.0703 H   0  0  0  0  0  0
    0.6198   -1.6476   -1.6083 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 20  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 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
 16 29  1  0  0  0
 17 30  1  0  0  0
 17 31  1  0  0  0
 18 19  3  0  0  0
M  CHG  1  18   1
M  END
>  <Name>
1-330463
>  <Family>
A
>  <PC_uM>
0.190000
>  <TG_uM>
0.023000
>  <RL_uM>
0.032000
>  <set>
1
$$$$