COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.415  -1.976   0.034  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.181  -2.309  -1.066  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.557  -2.438  -0.942  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.163  -2.232   0.289  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.391  -1.897   1.391  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.016  -1.770   1.261  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.657  -2.370   0.427  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.620  -2.963  -3.259  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.311  -2.766  -2.024  1.00  0.00           O  
HETATM   10  O   UNL     1      -4.982  -1.694   2.598  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.126  -1.352   3.690  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.920  -1.843  -0.103  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.431  -2.855  -0.986  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.581  -0.464  -0.672  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.005   0.547   0.245  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.320   1.797  -0.373  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.082   2.967   0.605  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.833   1.901  -0.660  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.170   3.972   0.292  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.179   3.358  -0.437  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.284   4.090  -0.835  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.385   5.429  -0.511  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.380   6.041   0.215  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.273   5.314   0.617  1.00  0.00           C  
HETATM   25  C   UNL     1       0.931  -0.357  -0.884  1.00  0.00           C  
HETATM   26  O   UNL     1       1.605  -0.650   0.342  1.00  0.00           O  
HETATM   27  C   UNL     1       5.728  -0.497   0.293  1.00  0.00           C  
HETATM   28  C   UNL     1       5.063  -0.821   1.461  1.00  0.00           C  
HETATM   29  C   UNL     1       3.683  -0.873   1.480  1.00  0.00           C  
HETATM   30  C   UNL     1       2.964  -0.600   0.326  1.00  0.00           C  
HETATM   31  C   UNL     1       3.633  -0.275  -0.845  1.00  0.00           C  
HETATM   32  C   UNL     1       5.013  -0.224  -0.859  1.00  0.00           C  
HETATM   33  C   UNL     1       7.234  -0.435   0.277  1.00  0.00           C  
HETATM   34  C   UNL     1       7.968  -0.749   1.582  1.00  0.00           C  
HETATM   35  C   UNL     1       7.996  -1.753   0.426  1.00  0.00           C  
HETATM   36  C   UNL     1       7.831   0.616  -0.622  1.00  0.00           C  
HETATM   37  O   UNL     1       8.852   1.177  -0.300  1.00  0.00           O  
HETATM   38  O   UNL     1       7.229   0.930  -1.780  1.00  0.00           O  
HETATM   39  H   UNL     1      -2.709  -2.470  -2.024  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.414  -1.513   2.120  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.904  -3.401   0.683  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.012  -1.705   1.214  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.135  -2.106  -0.516  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.337  -3.219  -4.039  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.096  -2.048  -3.533  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.901  -3.774  -3.147  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.723  -1.218   4.591  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.403  -2.152   3.849  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.599  -0.426   3.462  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.454  -1.958   0.875  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.804  -2.814  -1.877  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.092  -0.328  -1.625  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.742   1.931  -1.287  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.169   2.623   1.635  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.099   3.407   0.436  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.043   1.616  -1.691  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.393   1.268   0.029  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.070   3.613  -1.403  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.248   5.997  -0.824  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.458   7.087   0.469  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.490   5.796   1.183  1.00  0.00           H  
HETATM   62  H   UNL     1       1.242  -1.069  -1.649  1.00  0.00           H  
HETATM   63  H   UNL     1       1.183   0.654  -1.204  1.00  0.00           H  
HETATM   64  H   UNL     1       5.623  -1.034   2.360  1.00  0.00           H  
HETATM   65  H   UNL     1       3.164  -1.127   2.393  1.00  0.00           H  
HETATM   66  H   UNL     1       3.075  -0.062  -1.745  1.00  0.00           H  
HETATM   67  H   UNL     1       5.535   0.029  -1.770  1.00  0.00           H  
HETATM   68  H   UNL     1       8.883  -0.196   1.791  1.00  0.00           H  
HETATM   69  H   UNL     1       7.361  -1.001   2.452  1.00  0.00           H  
HETATM   70  H   UNL     1       7.409  -2.665   0.537  1.00  0.00           H  
HETATM   71  H   UNL     1       8.931  -1.859  -0.125  1.00  0.00           H  
HETATM   72  H   UNL     1       7.650   1.611  -2.323  1.00  0.00           H  
CONECT    1    2    2    6   12                                       
CONECT    2    3    1    1   39                                       
CONECT    3    9    4    4    2                                       
CONECT    4    7    3    3    5                                       
CONECT    5    4   10    6    6                                       
CONECT    6    5    5    1   40                                       
CONECT    7    4   41   42   43                                       
CONECT    8    9   44   45   46                                       
CONECT    9    8    3                                                 
CONECT   10    5   11                                                 
CONECT   11   10   47   48   49                                       
CONECT   12    1   14   13   50                                       
CONECT   13   12   51                                                 
CONECT   14   15   12   25   52                                       
CONECT   15   16   14                                                 
CONECT   16   17   18   15   53                                       
CONECT   17   19   16   54   55                                       
CONECT   18   20   16   56   57                                       
CONECT   19   24   24   20   17                                       
CONECT   20   21   21   19   18                                       
CONECT   21   22   20   20   58                                       
CONECT   22   23   23   21   59                                       
CONECT   23   22   22   24   60                                       
CONECT   24   23   19   19   61                                       
CONECT   25   14   26   62   63                                       
CONECT   26   30   25                                                 
CONECT   27   33   28   28   32                                       
CONECT   28   27   27   29   64                                       
CONECT   29   28   30   30   65                                       
CONECT   30   29   29   31   26                                       
CONECT   31   32   32   30   66                                       
CONECT   32   27   31   31   67                                       
CONECT   33   34   35   27   36                                       
CONECT   34   35   33   68   69                                       
CONECT   35   34   33   70   71                                       
CONECT   36   33   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   72                                                 
CONECT   39    2                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   38                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
