COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.972  -4.267  -2.336  1.00  0.00           C  
HETATM    2  C   UNL     1       1.981  -4.661  -3.196  1.00  0.00           C  
HETATM    3  C   UNL     1       1.699  -5.510  -4.250  1.00  0.00           C  
HETATM    4  C   UNL     1       0.408  -5.966  -4.444  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.600  -5.573  -3.584  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.317  -4.727  -2.528  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.943   4.284  -2.310  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.958   4.708  -3.147  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.676   5.563  -4.196  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.380   5.994  -4.408  1.00  0.00           C  
HETATM   11  C   UNL     1       0.635   5.570  -3.570  1.00  0.00           C  
HETATM   12  C   UNL     1       0.352   4.718  -2.518  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.250   3.352  -1.166  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.127   1.999  -1.608  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.536   1.169  -0.518  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.754  -0.145  -0.556  1.00  0.00           C  
HETATM   17  C   UNL     1       0.747   0.154  -0.554  1.00  0.00           C  
HETATM   18  C   UNL     1       1.529  -1.161  -0.519  1.00  0.00           C  
HETATM   19  C   UNL     1       3.003  -0.872  -0.631  1.00  0.00           C  
HETATM   20  O   UNL     1       3.624  -1.251  -1.602  1.00  0.00           O  
HETATM   21  N   UNL     1       3.633  -0.192   0.348  1.00  0.00           N  
HETATM   22  C   UNL     1       5.066   0.089   0.239  1.00  0.00           C  
HETATM   23  C   UNL     1       5.275   1.365  -0.580  1.00  0.00           C  
HETATM   24  C   UNL     1       4.788   1.137  -2.012  1.00  0.00           C  
HETATM   25  C   UNL     1       4.484   2.512   0.052  1.00  0.00           C  
HETATM   26  C   UNL     1       5.647   0.277   1.617  1.00  0.00           C  
HETATM   27  O   UNL     1       4.922   0.552   2.549  1.00  0.00           O  
HETATM   28  N   UNL     1       6.973   0.138   1.814  1.00  0.00           N  
HETATM   29  C   UNL     1       7.552   0.421   3.129  1.00  0.00           C  
HETATM   30  O   UNL     1       1.121  -1.987  -1.612  1.00  0.00           O  
HETATM   31  C   UNL     1       1.280  -3.342  -1.188  1.00  0.00           C  
HETATM   32  O   UNL     1       1.076   0.934   0.597  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.085  -0.930   0.591  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.010   0.880  -0.632  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.630   1.262  -1.602  1.00  0.00           O  
HETATM   36  N   UNL     1      -3.640   0.197   0.345  1.00  0.00           N  
HETATM   37  C   UNL     1      -5.074  -0.084   0.234  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.282  -1.356  -0.589  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.760  -1.136  -2.010  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.521  -2.514   0.060  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.656  -0.275   1.611  1.00  0.00           C  
HETATM   42  O   UNL     1      -4.930  -0.546   2.544  1.00  0.00           O  
HETATM   43  N   UNL     1      -6.983  -0.145   1.805  1.00  0.00           N  
HETATM   44  C   UNL     1      -7.563  -0.439   3.118  1.00  0.00           C  
HETATM   45  C   UNL     1      -9.053  -0.217   3.070  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.896  -1.285   2.823  1.00  0.00           C  
HETATM   47  C   UNL     1     -11.264  -1.069   2.781  1.00  0.00           C  
HETATM   48  C   UNL     1     -11.737   0.217   2.990  1.00  0.00           C  
HETATM   49  C   UNL     1     -10.834   1.235   3.232  1.00  0.00           C  
HETATM   50  N   UNL     1      -9.538   0.993   3.269  1.00  0.00           N  
HETATM   51  C   UNL     1       9.041   0.191   3.083  1.00  0.00           C  
HETATM   52  C   UNL     1       9.890   1.255   2.844  1.00  0.00           C  
HETATM   53  C   UNL     1      11.257   1.033   2.804  1.00  0.00           C  
HETATM   54  C   UNL     1      11.722  -0.258   3.007  1.00  0.00           C  
HETATM   55  C   UNL     1      10.813  -1.272   3.241  1.00  0.00           C  
HETATM   56  N   UNL     1       9.519  -1.023   3.277  1.00  0.00           N  
HETATM   57  H   UNL     1       2.989  -4.306  -3.044  1.00  0.00           H  
HETATM   58  H   UNL     1       2.487  -5.818  -4.921  1.00  0.00           H  
HETATM   59  H   UNL     1       0.187  -6.628  -5.268  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.609  -5.928  -3.736  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.105  -4.420  -1.856  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.971   4.372  -2.981  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.469   5.894  -4.851  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.160   6.661  -5.228  1.00  0.00           H  
HETATM   65  H   UNL     1       1.648   5.906  -3.736  1.00  0.00           H  
HETATM   66  H   UNL     1       1.145   4.387  -1.864  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.267   3.529  -0.816  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.549   3.533  -0.351  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.337   1.683   0.423  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.013  -0.696  -1.460  1.00  0.00           H  
HETATM   71  H   UNL     1       1.008   0.708  -1.455  1.00  0.00           H  
HETATM   72  H   UNL     1       1.330  -1.677   0.420  1.00  0.00           H  
HETATM   73  H   UNL     1       3.136   0.111   1.124  1.00  0.00           H  
HETATM   74  H   UNL     1       5.564  -0.745  -0.255  1.00  0.00           H  
HETATM   75  H   UNL     1       6.335   1.619  -0.593  1.00  0.00           H  
HETATM   76  H   UNL     1       5.048   1.999  -2.626  1.00  0.00           H  
HETATM   77  H   UNL     1       5.262   0.244  -2.419  1.00  0.00           H  
HETATM   78  H   UNL     1       3.705   1.005  -2.011  1.00  0.00           H  
HETATM   79  H   UNL     1       3.424   2.258   0.065  1.00  0.00           H  
HETATM   80  H   UNL     1       4.831   2.674   1.072  1.00  0.00           H  
HETATM   81  H   UNL     1       4.633   3.420  -0.532  1.00  0.00           H  
HETATM   82  H   UNL     1       7.544  -0.149   1.084  1.00  0.00           H  
HETATM   83  H   UNL     1       7.353   1.459   3.398  1.00  0.00           H  
HETATM   84  H   UNL     1       7.105  -0.239   3.873  1.00  0.00           H  
HETATM   85  H   UNL     1       2.306  -3.501  -0.857  1.00  0.00           H  
HETATM   86  H   UNL     1       0.597  -3.547  -0.363  1.00  0.00           H  
HETATM   87  H   UNL     1       0.829   0.408   1.371  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.840  -0.407   1.367  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.145  -0.108   1.120  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.571   0.753  -0.258  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.345  -1.596  -0.626  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.680  -0.986  -1.982  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.990  -2.008  -2.622  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.237  -0.255  -2.440  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.893  -2.671   1.072  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.669  -3.421  -0.527  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.458  -2.275   0.096  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.554   0.143   1.076  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.359  -1.477   3.381  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.122   0.219   3.866  1.00  0.00           H  
HETATM  101  H   UNL     1      -9.492  -2.274   2.664  1.00  0.00           H  
HETATM  102  H   UNL     1     -11.947  -1.885   2.589  1.00  0.00           H  
HETATM  103  H   UNL     1     -12.797   0.421   2.965  1.00  0.00           H  
HETATM  104  H   UNL     1     -11.194   2.240   3.396  1.00  0.00           H  
HETATM  105  H   UNL     1       9.492   2.248   2.690  1.00  0.00           H  
HETATM  106  H   UNL     1      11.945   1.845   2.619  1.00  0.00           H  
HETATM  107  H   UNL     1      12.782  -0.468   2.983  1.00  0.00           H  
HETATM  108  H   UNL     1      11.167  -2.280   3.400  1.00  0.00           H  
CONECT    1    2    2    6   31                                       
CONECT    2    1    1    3   57                                       
CONECT    3    2    4    4   58                                       
CONECT    4    3    3    5   59                                       
CONECT    5    4    6    6   60                                       
CONECT    6    1    5    5   61                                       
CONECT    7    8    8   12   13                                       
CONECT    8    7    7    9   62                                       
CONECT    9    8   10   10   63                                       
CONECT   10    9    9   11   64                                       
CONECT   11   10   12   12   65                                       
CONECT   12    7   11   11   66                                       
CONECT   13    7   14   67   68                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   34   69                                       
CONECT   16   15   17   33   70                                       
CONECT   17   16   18   32   71                                       
CONECT   18   17   19   30   72                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   73                                            
CONECT   22   21   23   26   74                                       
CONECT   23   22   24   25   75                                       
CONECT   24   23   76   77   78                                       
CONECT   25   23   79   80   81                                       
CONECT   26   22   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   82                                            
CONECT   29   28   51   83   84                                       
CONECT   30   18   31                                                 
CONECT   31    1   30   85   86                                       
CONECT   32   17   87                                                 
CONECT   33   16   88                                                 
CONECT   34   15   35   35   36                                       
CONECT   35   34   34                                                 
CONECT   36   34   37   89                                            
CONECT   37   36   38   41   90                                       
CONECT   38   37   39   40   91                                       
CONECT   39   38   92   93   94                                       
CONECT   40   38   95   96   97                                       
CONECT   41   37   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   41   44   98                                            
CONECT   44   43   45   99  100                                       
CONECT   45   44   46   46   50                                       
CONECT   46   45   45   47  101                                       
CONECT   47   46   48   48  102                                       
CONECT   48   47   47   49  103                                       
CONECT   49   48   50   50  104                                       
CONECT   50   45   49   49                                            
CONECT   51   29   52   52   56                                       
CONECT   52   51   51   53  105                                       
CONECT   53   52   54   54  106                                       
CONECT   54   53   53   55  107                                       
CONECT   55   54   56   56  108                                       
CONECT   56   51   55   55                                            
CONECT   57    2                                                      
CONECT   58    3                                                      
CONECT   59    4                                                      
CONECT   60    5                                                      
CONECT   61    6                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   13                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   17                                                      
CONECT   72   18                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   25                                                      
CONECT   81   25                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   39                                                      
CONECT   94   39                                                      
CONECT   95   40                                                      
CONECT   96   40                                                      
CONECT   97   40                                                      
CONECT   98   43                                                      
CONECT   99   44                                                      
CONECT  100   44                                                      
CONECT  101   46                                                      
CONECT  102   47                                                      
CONECT  103   48                                                      
CONECT  104   49                                                      
CONECT  105   52                                                      
CONECT  106   53                                                      
CONECT  107   54                                                      
CONECT  108   55                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
