
     RDKit          2D

 55 57  0  0  0  0  0  0  0  0999 V2000
    5.8573   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1073    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6073    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2954    1.4672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    2.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4175    3.7955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1147    3.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8302    4.5756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3771    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5339    5.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6797    5.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5229    7.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7364    8.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5752    9.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6574    9.3764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0203   10.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1067    7.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3202    8.6060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2635    6.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6338    5.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    5.3509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8037    3.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5537    4.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9184    2.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1319    3.0020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5022    2.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7157    3.2736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0861    2.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2996    3.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2428    1.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0293    0.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1861   -1.2018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5564   -1.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3864   -1.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6590    0.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4455    0.0184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6023   -1.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6382   -2.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5396   -2.0366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5285    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1734    0.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5705    1.8290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5285   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9184   -2.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1319   -3.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8037   -3.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3771   -3.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5339   -5.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1147   -3.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5782   -4.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138   -2.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4175   -3.7955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2954   -1.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7726   -1.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0903   -2.7393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  1
  7  9  1  0
  9 10  1  6
 11 10  1  1
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 13 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  0
 19 21  1  0
  9 22  1  0
 22 23  1  1
 22 24  1  0
 24 25  1  6
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 32  1  6
 32 33  1  0
 32 34  1  0
 31 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  2  0
 24 40  1  0
 40 41  1  6
 40 42  1  0
 40 43  1  0
 43 44  1  0
 44 45  1  6
 44 46  1  0
 46 47  1  0
 47 48  1  0
 47 49  1  0
 49 50  1  1
 49 51  1  0
 51 52  1  6
 51 53  1  0
 53 54  1  0
 53 55  1  0
 53  3  1  0
 21 11  1  0
 35 26  1  0
M  END
