COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.446  -5.646   1.834  1.00  0.00           C  
HETATM    2  C   UNL     1       4.734  -4.866   0.727  1.00  0.00           C  
HETATM    3  C   UNL     1       5.224  -3.417   0.729  1.00  0.00           C  
HETATM    4  C   UNL     1       4.621  -2.673  -0.464  1.00  0.00           C  
HETATM    5  C   UNL     1       5.235  -1.273  -0.558  1.00  0.00           C  
HETATM    6  O   UNL     1       4.629  -0.560  -1.638  1.00  0.00           O  
HETATM    7  C   UNL     1       6.740  -1.391  -0.805  1.00  0.00           C  
HETATM    8  O   UNL     1       7.324  -0.087  -0.820  1.00  0.00           O  
HETATM    9  C   UNL     1       3.106  -2.548  -0.278  1.00  0.00           C  
HETATM   10  O   UNL     1       2.517  -3.850  -0.264  1.00  0.00           O  
HETATM   11  C   UNL     1       2.525  -1.735  -1.439  1.00  0.00           C  
HETATM   12  N   UNL     1       1.083  -1.546  -1.233  1.00  0.00           N  
HETATM   13  C   UNL     1       3.220  -0.370  -1.494  1.00  0.00           C  
HETATM   14  O   UNL     1       2.957   0.348  -0.287  1.00  0.00           O  
HETATM   15  C   UNL     1       2.989   1.769  -0.438  1.00  0.00           C  
HETATM   16  C   UNL     1       4.208   2.332   0.295  1.00  0.00           C  
HETATM   17  N   UNL     1       5.432   1.752  -0.273  1.00  0.00           N  
HETATM   18  C   UNL     1       4.242   3.853   0.134  1.00  0.00           C  
HETATM   19  C   UNL     1       2.967   4.458   0.725  1.00  0.00           C  
HETATM   20  N   UNL     1       3.000   5.918   0.570  1.00  0.00           N  
HETATM   21  C   UNL     1       1.748   3.895  -0.008  1.00  0.00           C  
HETATM   22  O   UNL     1       0.557   4.459   0.544  1.00  0.00           O  
HETATM   23  C   UNL     1       1.714   2.374   0.153  1.00  0.00           C  
HETATM   24  O   UNL     1       0.575   1.847  -0.531  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.601   1.765   0.275  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.788   1.230  -0.557  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.610   2.309  -1.006  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.422   0.792   1.328  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.757   0.430   1.744  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.743  -0.920   2.463  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.027  -0.797   3.693  1.00  0.00           O  
HETATM   32  C   UNL     1      -2.565   0.332   0.431  1.00  0.00           C  
HETATM   33  O   UNL     1      -3.892   0.829   0.622  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.855   0.273  -0.275  1.00  0.00           C  
HETATM   35  O   UNL     1      -5.077  -1.099   0.055  1.00  0.00           O  
HETATM   36  C   UNL     1      -6.010  -1.762  -0.801  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.146  -3.225  -0.373  1.00  0.00           C  
HETATM   38  N   UNL     1      -4.838  -3.886  -0.468  1.00  0.00           N  
HETATM   39  C   UNL     1      -7.373  -1.072  -0.700  1.00  0.00           C  
HETATM   40  O   UNL     1      -7.864  -1.178   0.638  1.00  0.00           O  
HETATM   41  C   UNL     1      -7.217   0.406  -1.072  1.00  0.00           C  
HETATM   42  O   UNL     1      -6.790   0.514  -2.431  1.00  0.00           O  
HETATM   43  C   UNL     1      -6.172   1.045  -0.153  1.00  0.00           C  
HETATM   44  N   UNL     1      -6.644   0.994   1.238  1.00  0.00           N  
HETATM   45  H   UNL     1       5.226  -5.190   2.799  1.00  0.00           H  
HETATM   46  H   UNL     1       5.097  -6.679   1.833  1.00  0.00           H  
HETATM   47  H   UNL     1       6.521  -5.626   1.660  1.00  0.00           H  
HETATM   48  H   UNL     1       4.954  -5.322  -0.238  1.00  0.00           H  
HETATM   49  H   UNL     1       3.658  -4.887   0.902  1.00  0.00           H  
HETATM   50  H   UNL     1       4.914  -2.930   1.654  1.00  0.00           H  
HETATM   51  H   UNL     1       6.311  -3.400   0.657  1.00  0.00           H  
HETATM   52  H   UNL     1       4.831  -3.225  -1.381  1.00  0.00           H  
HETATM   53  H   UNL     1       5.061  -0.737   0.375  1.00  0.00           H  
HETATM   54  H   UNL     1       7.194  -1.983  -0.010  1.00  0.00           H  
HETATM   55  H   UNL     1       6.914  -1.879  -1.764  1.00  0.00           H  
HETATM   56  H   UNL     1       8.279  -0.086  -0.972  1.00  0.00           H  
HETATM   57  H   UNL     1       2.895  -2.042   0.664  1.00  0.00           H  
HETATM   58  H   UNL     1       1.557  -3.846  -0.149  1.00  0.00           H  
HETATM   59  H   UNL     1       2.693  -2.267  -2.376  1.00  0.00           H  
HETATM   60  H   UNL     1       0.677  -1.012  -1.987  1.00  0.00           H  
HETATM   61  H   UNL     1       0.614  -2.433  -1.125  1.00  0.00           H  
HETATM   62  H   UNL     1       2.841   0.196  -2.345  1.00  0.00           H  
HETATM   63  H   UNL     1       3.053   2.021  -1.497  1.00  0.00           H  
HETATM   64  H   UNL     1       4.144   2.080   1.354  1.00  0.00           H  
HETATM   65  H   UNL     1       6.254   2.156   0.150  1.00  0.00           H  
HETATM   66  H   UNL     1       5.434   0.747  -0.178  1.00  0.00           H  
HETATM   67  H   UNL     1       5.111   4.254   0.656  1.00  0.00           H  
HETATM   68  H   UNL     1       4.307   4.105  -0.925  1.00  0.00           H  
HETATM   69  H   UNL     1       2.903   4.206   1.784  1.00  0.00           H  
HETATM   70  H   UNL     1       3.797   6.314   1.046  1.00  0.00           H  
HETATM   71  H   UNL     1       2.995   6.179  -0.405  1.00  0.00           H  
HETATM   72  H   UNL     1       1.812   4.146  -1.067  1.00  0.00           H  
HETATM   73  H   UNL     1       0.511   5.423   0.477  1.00  0.00           H  
HETATM   74  H   UNL     1       1.650   2.122   1.212  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.841   2.741   0.697  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.428   0.645  -1.403  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.154   2.938  -1.582  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.174   1.200   2.392  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.766  -1.233   2.668  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.255  -1.663   1.831  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.978  -1.617   4.203  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.590  -0.697   0.073  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.485   0.346  -1.297  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.655  -1.716  -1.830  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.502  -3.270   0.657  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.857  -3.730  -1.026  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.901  -4.854  -0.191  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.457  -3.801  -1.399  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.074  -1.549  -1.384  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.726  -0.761   0.775  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.172   0.916  -0.948  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.403   0.123  -3.069  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.014   2.083  -0.446  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.971   1.410   1.864  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.545   1.437   1.330  1.00  0.00           H  
CONECT    1    2   45   46   47                                       
CONECT    2    3    1   48   49                                       
CONECT    3    4    2   50   51                                       
CONECT    4    5    9    3   52                                       
CONECT    5    6    7    4   53                                       
CONECT    6   13    5                                                 
CONECT    7    8    5   54   55                                       
CONECT    8    7   56                                                 
CONECT    9   11    4   10   57                                       
CONECT   10    9   58                                                 
CONECT   11   13   12    9   59                                       
CONECT   12   11   60   61                                            
CONECT   13   14    6   11   62                                       
CONECT   14   15   13                                                 
CONECT   15   23   16   14   63                                       
CONECT   16   18   15   17   64                                       
CONECT   17   16   65   66                                            
CONECT   18   19   16   67   68                                       
CONECT   19   20   21   18   69                                       
CONECT   20   19   70   71                                            
CONECT   21   22   19   23   72                                       
CONECT   22   21   73                                                 
CONECT   23   21   24   15   74                                       
CONECT   24   23   25                                                 
CONECT   25   26   24   28   75                                       
CONECT   26   27   25   32   76                                       
CONECT   27   26   77                                                 
CONECT   28   25   29                                                 
CONECT   29   32   28   30   78                                       
CONECT   30   29   31   79   80                                       
CONECT   31   30   81                                                 
CONECT   32   33   26   29   82                                       
CONECT   33   34   32                                                 
CONECT   34   43   33   35   83                                       
CONECT   35   34   36                                                 
CONECT   36   39   35   37   84                                       
CONECT   37   36   38   85   86                                       
CONECT   38   37   87   88                                            
CONECT   39   41   40   36   89                                       
CONECT   40   39   90                                                 
CONECT   41   43   42   39   91                                       
CONECT   42   41   92                                                 
CONECT   43   44   41   34   93                                       
CONECT   44   43   94   95                                            
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   34                                                      
CONECT   84   36                                                      
CONECT   85   37                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
CONECT   93   43                                                      
CONECT   94   44                                                      
CONECT   95   44                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
