COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.521   4.277  -0.176  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.820   3.078  -0.069  1.00  0.00           C  
HETATM    3  C   UNL     1       0.193   1.815   0.021  1.00  0.00           C  
HETATM    4  C   UNL     1       1.709   2.017  -0.025  1.00  0.00           C  
HETATM    5  C   UNL     1       2.409   0.662   0.098  1.00  0.00           C  
HETATM    6  C   UNL     1       3.924   0.864   0.051  1.00  0.00           C  
HETATM    7  C   UNL     1       5.936  -0.399   0.142  1.00  0.00           C  
HETATM    8  N   UNL     1      12.205  -1.087   0.101  1.00  0.00           N  
HETATM    9  N   UNL     1      12.299   0.191  -0.029  1.00  0.00           N  
HETATM   10  N   UNL     1      10.987   0.697  -0.056  1.00  0.00           N  
HETATM   11  N   UNL     1      -4.001  -0.507   0.324  1.00  0.00           N  
HETATM   12  C   UNL     1       6.633  -1.595   0.249  1.00  0.00           C  
HETATM   13  C   UNL     1       8.706  -0.393   0.093  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.753  -3.174   0.848  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.054  -0.309  -1.113  1.00  0.00           C  
HETATM   16  O   UNL     1      -6.524  -2.794   1.121  1.00  0.00           O  
HETATM   17  C   UNL     1      -5.939  -1.746   0.946  1.00  0.00           C  
HETATM   18  N   UNL     1      -4.683  -1.725   0.442  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.039  -2.972   0.020  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.774  -2.905  -1.409  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.154  -4.209  -1.953  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.684  -4.209  -1.632  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.368  -4.945  -0.316  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.380  -4.631   0.802  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.589  -0.430   1.281  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.159   0.608   0.236  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.625   0.137  -1.147  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.698  -0.614  -0.034  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.101  -0.539   1.339  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.641   0.616   0.219  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.904   1.886   0.085  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.600   3.092  -0.028  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.908   4.278  -0.153  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.844   5.449  -0.299  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.624   6.642  -0.398  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.506   1.885   0.061  1.00  0.00           C  
HETATM   37  O   UNL     1      -0.460   3.080  -0.093  1.00  0.00           O  
HETATM   38  O   UNL     1       4.578  -0.401   0.166  1.00  0.00           O  
HETATM   39  C   UNL     1       6.624   0.801   0.016  1.00  0.00           C  
HETATM   40  C   UNL     1       8.002   0.808  -0.009  1.00  0.00           C  
HETATM   41  C   UNL     1       8.011  -1.596   0.225  1.00  0.00           C  
HETATM   42  C   UNL     1      10.185  -0.390   0.067  1.00  0.00           C  
HETATM   43  N   UNL     1      10.972  -1.442   0.158  1.00  0.00           N  
HETATM   44  H   UNL     1      -0.113   1.172  -0.804  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.082   1.348   0.967  1.00  0.00           H  
HETATM   46  H   UNL     1       1.984   2.484  -0.971  1.00  0.00           H  
HETATM   47  H   UNL     1       2.015   2.660   0.800  1.00  0.00           H  
HETATM   48  H   UNL     1       2.133   0.195   1.043  1.00  0.00           H  
HETATM   49  H   UNL     1       2.102   0.019  -0.728  1.00  0.00           H  
HETATM   50  H   UNL     1       4.200   1.331  -0.895  1.00  0.00           H  
HETATM   51  H   UNL     1       4.231   1.507   0.876  1.00  0.00           H  
HETATM   52  H   UNL     1       6.095  -2.526   0.351  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.947  -2.576   0.424  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.931  -2.871   1.880  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.581  -0.380  -2.053  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.719  -3.801   0.215  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.710  -2.714  -1.934  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.087  -2.082  -1.603  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.632  -5.067  -1.481  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.296  -4.259  -3.033  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.145  -4.695  -2.446  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.341  -3.178  -1.549  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.373  -6.019  -0.504  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.372  -4.654   0.019  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.946  -4.915   1.760  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.282  -5.221   0.637  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.224  -0.098   2.253  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.565   1.592   0.472  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.999  -0.695  -1.471  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.524   0.957  -1.857  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.723  -0.940  -0.127  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.373  -1.437   1.895  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.502   0.333   1.856  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.680   3.095  -0.018  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.447   5.210  -0.232  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.238   6.750   0.496  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.962   7.503  -0.491  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.268   6.583  -1.276  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.964   0.955   0.147  1.00  0.00           H  
HETATM   80  H   UNL     1       6.079   1.730  -0.062  1.00  0.00           H  
HETATM   81  H   UNL     1       8.537   1.740  -0.112  1.00  0.00           H  
HETATM   82  H   UNL     1       8.552  -2.527   0.305  1.00  0.00           H  
HETATM   83  H   UNL     1      10.715   1.623  -0.144  1.00  0.00           H  
CONECT    1    2    2   33   34                                       
CONECT    2   36   37    1    1                                       
CONECT    3    4   37   44   45                                       
CONECT    4    5    3   46   47                                       
CONECT    5    6    4   48   49                                       
CONECT    6   38    5   50   51                                       
CONECT    7   12   12   39   38                                       
CONECT    8    9    9   43                                            
CONECT    9    8    8   10                                            
CONECT   10    9   42   83                                            
CONECT   11   18   30   30                                            
CONECT   12   41    7    7   52                                       
CONECT   13   42   41   41   40                                       
CONECT   14   24   19   53   54                                       
CONECT   15   28   28   27   55                                       
CONECT   16   17   17                                                 
CONECT   17   16   16   18   25                                       
CONECT   18   19   17   11                                            
CONECT   19   14   20   18   56                                       
CONECT   20   19   21   57   58                                       
CONECT   21   22   20   59   60                                       
CONECT   22   23   21   61   62                                       
CONECT   23   24   22   63   64                                       
CONECT   24   23   14   65   66                                       
CONECT   25   17   29   26   67                                       
CONECT   26   25   30   27   68                                       
CONECT   27   26   15   69   70                                       
CONECT   28   29   15   15   71                                       
CONECT   29   25   28   72   73                                       
CONECT   30   11   11   26   31                                       
CONECT   31   30   36   36   32                                       
CONECT   32   31   33   33   74                                       
CONECT   33   32   32    1   75                                       
CONECT   34    1   35                                                 
CONECT   35   34   76   77   78                                       
CONECT   36   31   31    2   79                                       
CONECT   37    3    2                                                 
CONECT   38    7    6                                                 
CONECT   39   40   40    7   80                                       
CONECT   40   13   39   39   81                                       
CONECT   41   13   13   12   82                                       
CONECT   42   10   43   43   13                                       
CONECT   43    8   42   42                                            
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52   12                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   10                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
