
     RDKit          2D

 55 59  0  0  0  0  0  0  0  0999 V2000
   -1.8178    7.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8373    6.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3301    5.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8034    5.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3495    4.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1238    4.4760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1043    3.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6116    1.9241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5777    3.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2159    4.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7041    4.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9857    3.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6715    2.5960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4840    1.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1015    0.5260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792    0.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0617    0.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2569   -0.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6395    0.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8346   -0.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6471   -1.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2645   -2.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0694   -1.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -1.2869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1091   -1.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9140   -0.9622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9217   -3.3569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5391   -3.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3516   -5.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5467   -6.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3593   -7.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9767   -8.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7816   -7.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690   -6.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1382    1.6425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6898    1.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3756    1.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1881    3.3123    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.3832    4.2188    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
   -7.5784    5.1253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4346   -1.4662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8951   -1.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9215   -2.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3820   -1.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4874   -3.6538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5139   -4.7476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0270   -3.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0005   -2.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5400   -3.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  2  0
  9  7  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  6
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 16 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
  5 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
 39 38  1  1
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  6
 44 45  1  0
 45 46  3  0
 41 47  1  1
 47 48  1  0
 48 49  2  0
 49 50  1  0
 49 51  1  0
 51 52  2  0
 51 53  1  0
 53 54  1  0
 54 55  2  0
 13  9  1  0
 23 18  1  0
 34 29  1  0
 43 39  1  0
 54 47  1  0
M  CHG  2  44  -1  45   1
M  END
$$$$
