COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.094   3.634  -0.449  1.00  0.00           C  
HETATM    2  C   UNL     1       4.349  -0.011   0.293  1.00  0.00           C  
HETATM    3  C   UNL     1       5.279  -1.988  -0.879  1.00  0.00           C  
HETATM    4  C   UNL     1       6.455  -3.844  -1.802  1.00  0.00           C  
HETATM    5  C   UNL     1       6.266  -4.935  -2.858  1.00  0.00           C  
HETATM    6  C   UNL     1       4.008   5.223   1.242  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.491  -4.175   1.711  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.626  -2.624   0.105  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.273  -3.309   1.958  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.854   0.094   1.055  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.451  -0.291   0.925  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.315  -1.685   0.311  1.00  0.00           C  
HETATM   13  C   UNL     1       3.139   0.920   0.395  1.00  0.00           C  
HETATM   14  C   UNL     1       3.449   2.053   1.376  1.00  0.00           C  
HETATM   15  C   UNL     1       4.564   2.931   0.805  1.00  0.00           C  
HETATM   16  C   UNL     1       4.088  -1.071  -0.779  1.00  0.00           C  
HETATM   17  C   UNL     1       0.735   0.550   0.530  1.00  0.00           C  
HETATM   18  C   UNL     1       4.899   4.083   1.782  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.654  -3.430   0.558  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.436  -2.563   0.805  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.301  -4.115   2.411  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.119   0.742   0.554  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.640  -0.028  -0.660  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.024   2.006  -2.291  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.753   2.310  -2.740  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.657   1.651  -2.212  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.834   0.689  -1.236  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.106   0.384  -0.787  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.201   1.043  -1.315  1.00  0.00           C  
HETATM   30  N   UNL     1      -1.681   0.339   0.438  1.00  0.00           N  
HETATM   31  N   UNL     1       1.980   0.164   0.873  1.00  0.00           N  
HETATM   32  N   UNL     1       3.795   4.916  -0.177  1.00  0.00           N  
HETATM   33  N   UNL     1      -5.132   0.725   1.617  1.00  0.00           N  
HETATM   34  O   UNL     1      -2.891  -0.648   2.014  1.00  0.00           O  
HETATM   35  O   UNL     1       4.006   3.118  -1.543  1.00  0.00           O  
HETATM   36  O   UNL     1       5.274  -3.001  -1.760  1.00  0.00           O  
HETATM   37  O   UNL     1       6.239  -1.812  -0.166  1.00  0.00           O  
HETATM   38  O   UNL     1       0.569   1.575  -0.097  1.00  0.00           O  
HETATM   39  H   UNL     1       5.232   0.568   0.023  1.00  0.00           H  
HETATM   40  H   UNL     1       4.514  -0.499   1.254  1.00  0.00           H  
HETATM   41  H   UNL     1       6.607  -4.306  -0.826  1.00  0.00           H  
HETATM   42  H   UNL     1       7.325  -3.239  -2.057  1.00  0.00           H  
HETATM   43  H   UNL     1       7.153  -5.568  -2.890  1.00  0.00           H  
HETATM   44  H   UNL     1       5.396  -5.541  -2.603  1.00  0.00           H  
HETATM   45  H   UNL     1       6.114  -4.473  -3.834  1.00  0.00           H  
HETATM   46  H   UNL     1       3.055   5.239   1.772  1.00  0.00           H  
HETATM   47  H   UNL     1       4.515   6.182   1.350  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.296  -4.801   2.067  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.753  -2.042  -0.796  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.343  -3.261   2.505  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.492  -0.374   2.011  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.364  -1.610  -0.775  1.00  0.00           H  
HETATM   53  H   UNL     1       0.642  -2.119   0.603  1.00  0.00           H  
HETATM   54  H   UNL     1       2.920   1.340  -0.587  1.00  0.00           H  
HETATM   55  H   UNL     1       2.554   2.656   1.530  1.00  0.00           H  
HETATM   56  H   UNL     1       3.771   1.631   2.328  1.00  0.00           H  
HETATM   57  H   UNL     1       5.451   2.333   0.598  1.00  0.00           H  
HETATM   58  H   UNL     1       3.205  -1.651  -0.509  1.00  0.00           H  
HETATM   59  H   UNL     1       3.922  -0.583  -1.739  1.00  0.00           H  
HETATM   60  H   UNL     1       5.954   4.351   1.721  1.00  0.00           H  
HETATM   61  H   UNL     1       4.623   3.821   2.803  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.584  -3.477   0.011  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.174  -4.697   3.312  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.910   1.773   0.268  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.856  -0.091  -1.415  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.932  -1.033  -0.355  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.879   2.523  -2.700  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.615   3.061  -3.503  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.664   1.888  -2.564  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.244  -0.368  -0.025  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.194   0.805  -0.964  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.651   0.933  -0.328  1.00  0.00           H  
HETATM   73  H   UNL     1       2.107  -0.615   1.437  1.00  0.00           H  
HETATM   74  H   UNL     1       3.479   5.556  -0.834  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.343  -0.220   1.900  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.839   1.281   2.406  1.00  0.00           H  
CONECT    1   35   35   15   32                                       
CONECT    2   16   13   39   40                                       
CONECT    3   16   36   37   37                                       
CONECT    4   36    5   41   42                                       
CONECT    5    4   43   44   45                                       
CONECT    6   18   32   46   47                                       
CONECT    7   21   21   19   48                                       
CONECT    8   19   19   20   49                                       
CONECT    9   21   20   20   50                                       
CONECT   10   30   22   34   34                                       
CONECT   11   12   30   17   51                                       
CONECT   12   20   11   52   53                                       
CONECT   13   31    2   14   54                                       
CONECT   14   13   15   55   56                                       
CONECT   15   14    1   18   57                                       
CONECT   16    2    3   58   59                                       
CONECT   17   11   31   38   38                                       
CONECT   18   15    6   60   61                                       
CONECT   19    7    8    8   62                                       
CONECT   20    9    9    8   12                                       
CONECT   21    7    7    9   63                                       
CONECT   22   23   10   33   64                                       
CONECT   23   27   22   65   66                                       
CONECT   24   25   25   29   67                                       
CONECT   25   24   24   26   68                                       
CONECT   26   25   27   27   69                                       
CONECT   27   26   26   28   23                                       
CONECT   28   29   29   27   70                                       
CONECT   29   24   28   28   71                                       
CONECT   30   11   10   72                                            
CONECT   31   17   13   73                                            
CONECT   32    1    6   74                                            
CONECT   33   22   75   76                                            
CONECT   34   10   10                                                 
CONECT   35    1    1                                                 
CONECT   36    3    4                                                 
CONECT   37    3    3                                                 
CONECT   38   17   17                                                 
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
