COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -4.807   1.406  -0.569  1.00  0.00           C  
HETATM    2  O   UNL     1      -5.277   0.670   0.563  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.021   2.629  -0.091  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.861   2.191   0.696  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.932   3.499   0.781  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.209   3.813  -0.006  1.00  0.00           C  
HETATM    7  O   UNL     1      -7.137   4.498   0.837  1.00  0.00           O  
HETATM    8  C   UNL     1      -6.831   2.501  -0.491  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.920   1.826  -1.356  1.00  0.00           O  
HETATM   10  C   UNL     1      -8.124   2.803  -1.250  1.00  0.00           C  
HETATM   11  O   UNL     1      -8.759   1.576  -1.615  1.00  0.00           O  
HETATM   12  C   UNL     1      -6.089  -3.483   0.519  1.00  0.00           C  
HETATM   13  N   UNL     1      -6.497  -4.806   0.027  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.921  -2.964  -0.322  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.821  -3.870  -0.221  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.496  -1.587   0.191  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.405  -1.101  -0.595  1.00  0.00           O  
HETATM   18  C   UNL     1      -5.674  -0.616   0.083  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.841  -1.136   0.925  1.00  0.00           C  
HETATM   20  N   UNL     1      -7.972  -0.204   0.821  1.00  0.00           N  
HETATM   21  C   UNL     1      -7.266  -2.513   0.411  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.207  -1.554   0.038  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.974  -1.180  -0.815  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.551  -2.294  -1.604  1.00  0.00           O  
HETATM   25  C   UNL     1       0.106  -0.814   0.227  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.599  -1.008   1.588  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.008  -0.869   1.294  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.155   0.065   2.584  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.788  -0.163   3.844  1.00  0.00           O  
HETATM   30  C   UNL     1       4.736  -0.061  -1.445  1.00  0.00           C  
HETATM   31  O   UNL     1       5.512  -0.355  -0.282  1.00  0.00           O  
HETATM   32  C   UNL     1       4.253  -1.369  -2.083  1.00  0.00           C  
HETATM   33  O   UNL     1       3.598  -1.090  -3.322  1.00  0.00           O  
HETATM   34  C   UNL     1       3.271  -2.049  -1.123  1.00  0.00           C  
HETATM   35  N   UNL     1       3.980  -2.467   0.094  1.00  0.00           N  
HETATM   36  C   UNL     1       2.165  -1.056  -0.756  1.00  0.00           C  
HETATM   37  O   UNL     1       1.228  -1.692   0.115  1.00  0.00           O  
HETATM   38  C   UNL     1       3.519   0.781  -1.055  1.00  0.00           C  
HETATM   39  O   UNL     1       2.731   0.076  -0.098  1.00  0.00           O  
HETATM   40  C   UNL     1       3.990   2.105  -0.449  1.00  0.00           C  
HETATM   41  N   UNL     1       2.831   2.974  -0.210  1.00  0.00           N  
HETATM   42  C   UNL     1       6.834  -0.655  -0.732  1.00  0.00           C  
HETATM   43  C   UNL     1       7.625  -1.304   0.407  1.00  0.00           C  
HETATM   44  C   UNL     1       7.664  -0.344   1.600  1.00  0.00           C  
HETATM   45  C   UNL     1       8.202   1.009   1.122  1.00  0.00           C  
HETATM   46  C   UNL     1       7.369   1.484  -0.070  1.00  0.00           C  
HETATM   47  C   UNL     1       7.879   2.851  -0.533  1.00  0.00           C  
HETATM   48  O   UNL     1       8.957  -1.579  -0.030  1.00  0.00           O  
HETATM   49  O   UNL     1       8.521  -0.870   2.614  1.00  0.00           O  
HETATM   50  O   UNL     1       8.110   1.963   2.181  1.00  0.00           O  
HETATM   51  O   UNL     1       7.480   0.549  -1.142  1.00  0.00           O  
HETATM   52  O   UNL     1       7.027   3.353  -1.564  1.00  0.00           O  
HETATM   53  H   UNL     1      -4.157   0.770  -1.170  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.682   3.204  -0.952  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.380   3.026   0.993  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.224   1.753   1.529  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.419   4.428   1.032  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.187   2.962   1.694  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.964   4.439  -0.864  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.706   5.317   1.120  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.053   1.867   0.367  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.793   3.382  -0.613  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.893   3.374  -2.149  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.569   1.811  -2.090  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.778  -3.564   1.561  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.265  -5.107   0.608  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.871  -4.667  -0.900  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.231  -2.883  -1.364  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.131  -4.724  -0.554  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.186  -1.667   1.233  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.984  -0.536  -0.958  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.531  -1.216   1.966  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.752  -0.642   1.288  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.728   0.610   1.365  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.577  -2.433  -0.630  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.098  -2.883   1.011  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.246  -2.632   0.196  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.196  -0.324  -1.452  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.262  -2.476  -2.234  1.00  0.00           H  
HETATM   80  H   UNL     1       0.420   0.222   0.104  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.390  -2.001   1.984  1.00  0.00           H  
HETATM   82  H   UNL     1       0.928   0.021   2.708  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.437   1.049   2.208  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.481   0.533   4.441  1.00  0.00           H  
HETATM   85  H   UNL     1       5.345   0.490  -2.160  1.00  0.00           H  
HETATM   86  H   UNL     1       5.105  -2.026  -2.260  1.00  0.00           H  
HETATM   87  H   UNL     1       3.302  -1.939  -3.679  1.00  0.00           H  
HETATM   88  H   UNL     1       2.832  -2.921  -1.607  1.00  0.00           H  
HETATM   89  H   UNL     1       3.294  -2.900   0.694  1.00  0.00           H  
HETATM   90  H   UNL     1       4.624  -3.193  -0.181  1.00  0.00           H  
HETATM   91  H   UNL     1       1.655  -0.731  -1.662  1.00  0.00           H  
HETATM   92  H   UNL     1       2.918   0.982  -1.942  1.00  0.00           H  
HETATM   93  H   UNL     1       4.677   2.596  -1.139  1.00  0.00           H  
HETATM   94  H   UNL     1       4.500   1.911   0.495  1.00  0.00           H  
HETATM   95  H   UNL     1       3.187   3.831   0.187  1.00  0.00           H  
HETATM   96  H   UNL     1       2.454   3.210  -1.116  1.00  0.00           H  
HETATM   97  H   UNL     1       6.782  -1.343  -1.576  1.00  0.00           H  
HETATM   98  H   UNL     1       7.138  -2.234   0.702  1.00  0.00           H  
HETATM   99  H   UNL     1       6.658  -0.217   2.000  1.00  0.00           H  
HETATM  100  H   UNL     1       9.244   0.901   0.819  1.00  0.00           H  
HETATM  101  H   UNL     1       6.324   1.570   0.229  1.00  0.00           H  
HETATM  102  H   UNL     1       7.877   3.543   0.309  1.00  0.00           H  
HETATM  103  H   UNL     1       8.893   2.749  -0.918  1.00  0.00           H  
HETATM  104  H   UNL     1       8.886  -2.185  -0.780  1.00  0.00           H  
HETATM  105  H   UNL     1       8.146  -1.719   2.885  1.00  0.00           H  
HETATM  106  H   UNL     1       8.648   1.625   2.910  1.00  0.00           H  
HETATM  107  H   UNL     1       7.382   4.213  -1.827  1.00  0.00           H  
CONECT    1    2    3    9   53                                       
CONECT    2    1   18                                                 
CONECT    3    1    4    5   54                                       
CONECT    4    3   55   56                                            
CONECT    5    3    6   57   58                                       
CONECT    6    5    7    8   59                                       
CONECT    7    6   60                                                 
CONECT    8    6    9   10   61                                       
CONECT    9    1    8                                                 
CONECT   10    8   11   62   63                                       
CONECT   11   10   64                                                 
CONECT   12   13   14   21   65                                       
CONECT   13   12   66   67                                            
CONECT   14   12   15   16   68                                       
CONECT   15   14   69                                                 
CONECT   16   14   17   18   70                                       
CONECT   17   16   22                                                 
CONECT   18    2   16   19   71                                       
CONECT   19   18   20   21   72                                       
CONECT   20   19   73   74                                            
CONECT   21   12   19   75   76                                       
CONECT   22   17   23   27   77                                       
CONECT   23   22   24   25   78                                       
CONECT   24   23   79                                                 
CONECT   25   23   26   37   80                                       
CONECT   26   25   27   28   81                                       
CONECT   27   22   26                                                 
CONECT   28   26   29   82   83                                       
CONECT   29   28   84                                                 
CONECT   30   31   32   38   85                                       
CONECT   31   30   42                                                 
CONECT   32   30   33   34   86                                       
CONECT   33   32   87                                                 
CONECT   34   32   35   36   88                                       
CONECT   35   34   89   90                                            
CONECT   36   34   37   39   91                                       
CONECT   37   25   36                                                 
CONECT   38   30   39   40   92                                       
CONECT   39   36   38                                                 
CONECT   40   38   41   93   94                                       
CONECT   41   40   95   96                                            
CONECT   42   31   43   51   97                                       
CONECT   43   42   44   48   98                                       
CONECT   44   43   45   49   99                                       
CONECT   45   44   46   50  100                                       
CONECT   46   45   47   51  101                                       
CONECT   47   46   52  102  103                                       
CONECT   48   43  104                                                 
CONECT   49   44  105                                                 
CONECT   50   45  106                                                 
CONECT   51   42   46                                                 
CONECT   52   47  107                                                 
CONECT   53    1                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62   10                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   13                                                      
CONECT   67   13                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   20                                                      
CONECT   74   20                                                      
CONECT   75   21                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   26                                                      
CONECT   82   28                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   32                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   38                                                      
CONECT   93   40                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   41                                                      
CONECT   97   42                                                      
CONECT   98   43                                                      
CONECT   99   44                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   47                                                      
CONECT  103   47                                                      
CONECT  104   48                                                      
CONECT  105   49                                                      
CONECT  106   50                                                      
CONECT  107   52                                                      
MASTER        0    0    0    0    0    0    0    0  107    0  107    0
END
