COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.217  -0.754  -2.520  1.00  0.00           C  
HETATM    2  C   UNL     1       6.419  -1.782  -1.761  1.00  0.00           C  
HETATM    3  O   UNL     1       6.528  -2.960  -2.037  1.00  0.00           O  
HETATM    4  C   UNL     1       5.544  -1.377  -0.730  1.00  0.00           C  
HETATM    5  C   UNL     1       5.419   0.001  -0.411  1.00  0.00           C  
HETATM    6  C   UNL     1       4.520   0.355   0.745  1.00  0.00           C  
HETATM    7  C   UNL     1       3.532  -0.724   1.192  1.00  0.00           C  
HETATM    8  C   UNL     1       3.764  -1.995   0.856  1.00  0.00           C  
HETATM    9  C   UNL     1       4.797  -2.339  -0.028  1.00  0.00           C  
HETATM   10  O   UNL     1       2.558   0.008   1.769  1.00  0.00           O  
HETATM   11  C   UNL     1       2.379   1.136   1.017  1.00  0.00           C  
HETATM   12  C   UNL     1       3.558   1.445   0.340  1.00  0.00           C  
HETATM   13  C   UNL     1       3.635   2.552  -0.481  1.00  0.00           C  
HETATM   14  C   UNL     1       2.529   3.377  -0.649  1.00  0.00           C  
HETATM   15  C   UNL     1       1.346   3.089   0.007  1.00  0.00           C  
HETATM   16  C   UNL     1       1.260   1.965   0.844  1.00  0.00           C  
HETATM   17  C   UNL     1       5.368   0.810   1.935  1.00  0.00           C  
HETATM   18  O   UNL     1       6.010   0.855  -1.041  1.00  0.00           O  
HETATM   19  O   UNL     1       5.088  -3.644  -0.208  1.00  0.00           O  
HETATM   20  O   UNL     1       4.795   2.836  -1.125  1.00  0.00           O  
HETATM   21  O   UNL     1       0.266   3.894  -0.158  1.00  0.00           O  
HETATM   22  C   UNL     1       0.424   5.020  -1.023  1.00  0.00           C  
HETATM   23  C   UNL     1       0.001   1.658   1.538  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.212   2.117   2.644  1.00  0.00           O  
HETATM   25  N   UNL     1      -0.918   0.867   0.948  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.172   0.560   1.639  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.018  -0.336   0.772  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.756  -1.715   0.714  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.562  -2.542  -0.108  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.608  -1.966  -0.848  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.833  -0.626  -0.767  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.044   0.186   0.044  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.299  -3.921  -0.167  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.277  -4.443   0.564  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.484  -3.630   1.373  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.709  -2.291   1.454  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.956  -0.013  -1.563  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.238  -0.023  -0.728  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.378   0.600  -1.536  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.641   0.589  -0.714  1.00  0.00           C  
HETATM   41  O   UNL     1     -10.778   1.090  -1.224  1.00  0.00           O  
HETATM   42  O   UNL     1      -9.631   0.130   0.403  1.00  0.00           O  
HETATM   43  H   UNL     1       7.830  -1.252  -3.271  1.00  0.00           H  
HETATM   44  H   UNL     1       6.538  -0.056  -3.010  1.00  0.00           H  
HETATM   45  H   UNL     1       7.860  -0.210  -1.829  1.00  0.00           H  
HETATM   46  H   UNL     1       2.594   4.243  -1.291  1.00  0.00           H  
HETATM   47  H   UNL     1       5.944   1.692   1.655  1.00  0.00           H  
HETATM   48  H   UNL     1       4.715   1.053   2.774  1.00  0.00           H  
HETATM   49  H   UNL     1       6.047   0.008   2.224  1.00  0.00           H  
HETATM   50  H   UNL     1       4.559  -4.284   0.287  1.00  0.00           H  
HETATM   51  H   UNL     1       4.870   2.427  -1.999  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.512   5.578  -1.066  1.00  0.00           H  
HETATM   53  H   UNL     1       1.214   5.665  -0.639  1.00  0.00           H  
HETATM   54  H   UNL     1       0.688   4.676  -2.023  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.748   0.501   0.066  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.955   0.055   2.580  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.712   1.486   1.840  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.231  -2.584  -1.479  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.246   1.245   0.094  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.905  -4.563  -0.788  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.077  -5.503   0.517  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.679  -4.070   1.943  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.086  -1.673   2.084  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.699   1.015  -1.821  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.112  -0.588  -2.475  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.495  -1.051  -0.470  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.083   0.553   0.184  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.121   1.627  -1.795  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.534   0.024  -2.449  1.00  0.00           H  
HETATM   70  H   UNL     1       3.142  -2.774   1.270  1.00  0.00           H  
HETATM   71  H   UNL     1     -11.562   1.061  -0.659  1.00  0.00           H  
CONECT    1    2   43   44   45                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    9    9                                       
CONECT    5    4    6   18   18                                       
CONECT    6    5    7   12   17                                       
CONECT    7    6    8    8   10                                       
CONECT    8    7    7    9   70                                       
CONECT    9    4    4    8   19                                       
CONECT   10    7   11                                                 
CONECT   11   10   12   12   16                                       
CONECT   12    6   11   11   13                                       
CONECT   13   12   14   14   20                                       
CONECT   14   13   13   15   46                                       
CONECT   15   14   16   16   21                                       
CONECT   16   11   15   15   23                                       
CONECT   17    6   47   48   49                                       
CONECT   18    5    5                                                 
CONECT   19    9   50                                                 
CONECT   20   13   51                                                 
CONECT   21   15   22                                                 
CONECT   22   21   52   53   54                                       
CONECT   23   16   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   55                                            
CONECT   26   25   27   56   57                                       
CONECT   27   26   28   28   32                                       
CONECT   28   27   27   29   36                                       
CONECT   29   28   30   30   33                                       
CONECT   30   29   29   31   58                                       
CONECT   31   30   32   32   37                                       
CONECT   32   27   31   31   59                                       
CONECT   33   29   34   34   60                                       
CONECT   34   33   33   35   61                                       
CONECT   35   34   36   36   62                                       
CONECT   36   28   35   35   63                                       
CONECT   37   31   38   64   65                                       
CONECT   38   37   39   66   67                                       
CONECT   39   38   40   68   69                                       
CONECT   40   39   41   42   42                                       
CONECT   41   40   71                                                 
CONECT   42   40   40                                                 
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46   14                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   30                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   34                                                      
CONECT   62   35                                                      
CONECT   63   36                                                      
CONECT   64   37                                                      
CONECT   65   37                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
CONECT   68   39                                                      
CONECT   69   39                                                      
CONECT   70    8                                                      
CONECT   71   41                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
