
     RDKit          2D

 45 48  0  0  0  0  0  0  0  0999 V2000
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   -7.0839   -2.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0976   -0.6325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5879    0.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4297    2.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5090    3.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9259    4.6450    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.8864    5.7264    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
   -2.8470    6.8079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0982    2.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8567    3.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5069    2.8817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7346    3.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6265    5.2195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0844    3.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4886    2.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8342    1.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1919    0.5888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6778   -0.5673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1735    0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2130    1.2362    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5904   -1.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1470    1.1952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1307   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6542   -1.5153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6404   -3.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1170   -3.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6267   -4.8647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  6
  8  9  1  0
  9 10  3  0
  7 11  1  0
 11 12  1  1
 12 13  1  0
 13 14  1  0
 14 15  2  0
 16 14  1  6
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  1
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 23 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  1  6
 34 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  2  0
 11 40  1  0
  4 41  1  0
 41 42  2  0
 41 43  1  0
 43 44  1  0
 44 45  2  0
 44  2  1  0
 40  5  1  0
 20 16  1  0
 30 25  1  0
M  CHG  2   8  -1   9   1
M  END
$$$$
