
     RDKit          2D

 50 51  0  0  0  0  0  0  0  0999 V2000
    8.3341    2.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4126    0.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1545   -0.0008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8181    0.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5600   -0.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2235    0.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655   -0.2726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1451    2.0423    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8086    2.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7302    4.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3937    4.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3152    6.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0213    7.0813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0997    8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4362    9.2603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1583    9.3961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5506    1.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6290    0.4085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9750    2.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2330    1.4988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5695    2.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6290   -0.4085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2235   -0.5443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4031   -2.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3247   -4.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5827   -5.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5043   -6.6720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6839   -8.9868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0988   -6.8079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8086   -2.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7302   -4.2213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5506   -1.9064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6385   -1.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3804   -2.4516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750   -2.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0534   -3.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3899   -4.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6479   -3.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9844   -4.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5695   -2.1798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2330   -1.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  1
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
  9 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  1
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 20 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  1
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 36 38  1  0
 31 39  1  0
 39 40  1  0
 39 41  2  0
  5 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  2  0
 45 46  1  0
 46 47  2  0
 47 48  1  0
 47 49  1  0
 49 50  2  0
 50  3  1  0
 50 44  1  0
M  END
$$$$
