1-319947
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 32 33  0  0  0  0  0  0  0  0999 V2000
   -3.5373   -0.3767    1.1921 N   0  0  0  0  0  0
   -3.5010   -1.6681    0.8705 C   0  0  0  0  0  0
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    0.0597    0.5195    0.6047 C   0  0  0  0  0  0
    1.0179    0.4793    1.6323 C   0  0  0  0  0  0
    2.2073    1.2196    1.5556 C   0  0  0  0  0  0
    2.4179    2.0417    0.4352 C   0  0  0  0  0  0
    1.4732    2.0980   -0.5912 C   0  0  0  0  0  0
    0.3031    1.3408   -0.5058 C   0  0  0  0  0  0
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    0.0292   -2.3698   -1.6326 C   0  0  0  0  0  0
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    3.1114    1.1404    2.6320 N   0  0  0  0  0  0
    4.0831    0.3998    2.3803 N   0  3  0  0  0  0
    4.9672   -0.2855    2.1583 N   0  5  0  0  0  0
    0.8391   -0.1375    2.5125 H   0  0  0  0  0  0
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    0.8763   -2.9751   -1.9706 H   0  0  0  0  0  0
    0.1768   -1.3488   -1.9977 H   0  0  0  0  0  0
   -0.8781   -2.7649   -2.1023 H   0  0  0  0  0  0
   -0.1909   -3.4564    0.2023 H   0  0  0  0  0  0
    0.8605   -2.0696    0.3392 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 21  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 22  1  0  0  0
 12 23  1  0  0  0
 13 24  1  0  0  0
 13 25  1  0  0  0
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 14 27  1  0  0  0
 16 17  1  0  0  0
 16 28  1  0  0  0
 16 29  1  0  0  0
 16 30  1  0  0  0
 17 31  1  0  0  0
 17 32  1  0  0  0
 18 19  2  0  0  0
 19 20  2  0  0  0
M  CHG  2  19   1  20  -1
M  END
>  <Name>
1-319947
>  <Family>
A
>  <PC_uM>
1.330000
>  <TG_uM>
0.690000
>  <RL_uM>
0.330000
>  <set>
2
$$$$