COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.026  -5.834   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.060  -5.470   0.778  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.063  -4.374   1.640  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.210  -3.605   1.663  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.393  -2.943   0.607  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.471  -3.341  -0.196  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.437  -4.596  -0.811  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.351  -5.435  -0.720  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.203  -5.061   0.016  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.265  -3.869   0.786  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.659  -1.634   1.086  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.950  -1.190   0.402  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.967  -0.724   1.438  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.630  -5.036  -1.619  1.00  0.00           C  
HETATM   15  C   UNL     1       2.404  -5.455   0.956  1.00  0.00           C  
HETATM   16  C   UNL     1       3.598  -5.455   0.123  1.00  0.00           C  
HETATM   17  C   UNL     1       4.229  -4.327  -0.196  1.00  0.00           C  
HETATM   18  C   UNL     1       3.702  -2.992   0.254  1.00  0.00           C  
HETATM   19  C   UNL     1       4.791  -1.923   0.168  1.00  0.00           C  
HETATM   20  C   UNL     1       4.457  -0.924  -0.949  1.00  0.00           C  
HETATM   21  C   UNL     1       3.589   0.196  -0.391  1.00  0.00           C  
HETATM   22  C   UNL     1       3.037   1.119  -1.473  1.00  0.00           C  
HETATM   23  C   UNL     1       2.115   2.161  -0.845  1.00  0.00           C  
HETATM   24  C   UNL     1       0.659   2.055  -1.265  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.094   3.345  -0.900  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.498   3.282  -1.498  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.540   2.886  -0.461  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.381   1.741  -0.970  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.915   0.895  -0.113  1.00  0.00           C  
HETATM   30  C   UNL     1       4.144  -6.766  -0.398  1.00  0.00           C  
HETATM   31  C   UNL     1       5.770  -0.342  -1.487  1.00  0.00           C  
HETATM   32  C   UNL     1       2.374   0.326  -2.590  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.026   0.882  -0.550  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.857   4.650  -2.086  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.175   4.756   1.014  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.226   4.997   2.500  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.748   3.647   0.083  1.00  0.00           C  
HETATM   38  C   UNL     1       6.586  -1.453  -2.151  1.00  0.00           C  
HETATM   39  C   UNL     1       7.331   1.268  -0.679  1.00  0.00           C  
HETATM   40  C   UNL     1       8.152   1.912   0.407  1.00  0.00           C  
HETATM   41  C   UNL     1       7.223   2.451   1.497  1.00  0.00           C  
HETATM   42  C   UNL     1       9.100   0.875   1.013  1.00  0.00           C  
HETATM   43  C   UNL     1       8.967   3.064  -0.184  1.00  0.00           C  
HETATM   44  C   UNL     1       9.788   3.708   0.903  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.480   4.837   0.705  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.941   4.515   0.934  1.00  0.00           C  
HETATM   47  C   UNL     1      -7.620   3.924  -0.318  1.00  0.00           C  
HETATM   48  C   UNL     1      -6.743   2.832  -0.935  1.00  0.00           C  
HETATM   49  C   UNL     1      -7.337   2.410  -2.280  1.00  0.00           C  
HETATM   50  C   UNL     1      -8.444   2.960   1.624  1.00  0.00           C  
HETATM   51  N   UNL     1       1.285  -6.150   0.714  1.00  0.00           N  
HETATM   52  O   UNL     1      -0.931  -6.953  -0.772  1.00  0.00           O  
HETATM   53  O   UNL     1      -3.405  -6.635  -1.348  1.00  0.00           O  
HETATM   54  O   UNL     1      -5.419  -2.368  -0.269  1.00  0.00           O  
HETATM   55  O   UNL     1      -3.010  -0.981   1.878  1.00  0.00           O  
HETATM   56  O   UNL     1      -4.663  -0.153  -0.537  1.00  0.00           O  
HETATM   57  O   UNL     1      -3.391   4.003  -0.190  1.00  0.00           O  
HETATM   58  O   UNL     1      -0.142   3.501   0.538  1.00  0.00           O  
HETATM   59  O   UNL     1      -0.164   5.692   0.250  1.00  0.00           O  
HETATM   60  O   UNL     1       2.509  -0.369   0.357  1.00  0.00           O  
HETATM   61  O   UNL     1       2.441  -4.718   1.905  1.00  0.00           O  
HETATM   62  O   UNL     1      -1.300  -2.598   2.575  1.00  0.00           O  
HETATM   63  O   UNL     1       6.532   0.229  -0.391  1.00  0.00           O  
HETATM   64  O   UNL     1       7.391   1.687  -1.811  1.00  0.00           O  
HETATM   65  O   UNL     1       9.728   3.289   2.035  1.00  0.00           O  
HETATM   66  O   UNL     1      10.587   4.747   0.614  1.00  0.00           O  
HETATM   67  O   UNL     1      -5.413   3.303  -1.138  1.00  0.00           O  
HETATM   68  O   UNL     1      -8.771   3.254   0.258  1.00  0.00           O  
HETATM   69  O   UNL     1      -7.126   3.470   1.906  1.00  0.00           O  
HETATM   70  O   UNL     1       2.611   3.466  -1.175  1.00  0.00           O  
HETATM   71  H   UNL     1       0.718  -4.114   2.339  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.529   0.066   2.047  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.853  -0.343   0.931  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.246  -1.562   2.076  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.504  -4.719  -2.654  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.715  -6.122  -1.579  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.533  -4.585  -1.208  1.00  0.00           H  
HETATM   78  H   UNL     1       5.132  -4.378  -0.792  1.00  0.00           H  
HETATM   79  H   UNL     1       2.865  -2.705  -0.384  1.00  0.00           H  
HETATM   80  H   UNL     1       3.359  -3.057   1.287  1.00  0.00           H  
HETATM   81  H   UNL     1       4.853  -1.390   1.120  1.00  0.00           H  
HETATM   82  H   UNL     1       5.751  -2.392  -0.046  1.00  0.00           H  
HETATM   83  H   UNL     1       3.946  -1.462  -1.743  1.00  0.00           H  
HETATM   84  H   UNL     1       4.195   0.800   0.297  1.00  0.00           H  
HETATM   85  H   UNL     1       3.888   1.668  -1.918  1.00  0.00           H  
HETATM   86  H   UNL     1       2.178   2.056   0.249  1.00  0.00           H  
HETATM   87  H   UNL     1       0.561   1.942  -2.348  1.00  0.00           H  
HETATM   88  H   UNL     1       0.436   4.197  -1.339  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.505   2.546  -2.311  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.066   2.574   0.468  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.544   1.616  -2.028  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.752   1.055   0.943  1.00  0.00           H  
HETATM   93  H   UNL     1       3.516  -7.585  -0.048  1.00  0.00           H  
HETATM   94  H   UNL     1       4.147  -6.751  -1.488  1.00  0.00           H  
HETATM   95  H   UNL     1       5.162  -6.906  -0.034  1.00  0.00           H  
HETATM   96  H   UNL     1       5.550   0.435  -2.219  1.00  0.00           H  
HETATM   97  H   UNL     1       1.551  -0.260  -2.181  1.00  0.00           H  
HETATM   98  H   UNL     1       1.991   1.013  -3.345  1.00  0.00           H  
HETATM   99  H   UNL     1       3.106  -0.342  -3.045  1.00  0.00           H  
HETATM  100  H   UNL     1       0.020   1.038   0.528  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.068   0.824  -0.865  1.00  0.00           H  
HETATM  102  H   UNL     1       0.484  -0.047  -0.805  1.00  0.00           H  
HETATM  103  H   UNL     1      -1.162   4.894  -2.889  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.872   4.621  -2.480  1.00  0.00           H  
HETATM  105  H   UNL     1      -1.792   5.408  -1.306  1.00  0.00           H  
HETATM  106  H   UNL     1       0.789   5.069   2.891  1.00  0.00           H  
HETATM  107  H   UNL     1      -0.760   5.926   2.700  1.00  0.00           H  
HETATM  108  H   UNL     1      -0.743   4.169   2.985  1.00  0.00           H  
HETATM  109  H   UNL     1      -4.776   2.799   0.769  1.00  0.00           H  
HETATM  110  H   UNL     1       6.014  -1.881  -2.974  1.00  0.00           H  
HETATM  111  H   UNL     1       7.519  -1.039  -2.534  1.00  0.00           H  
HETATM  112  H   UNL     1       6.806  -2.230  -1.419  1.00  0.00           H  
HETATM  113  H   UNL     1       6.642   1.631   1.918  1.00  0.00           H  
HETATM  114  H   UNL     1       7.817   2.917   2.283  1.00  0.00           H  
HETATM  115  H   UNL     1       6.548   3.190   1.066  1.00  0.00           H  
HETATM  116  H   UNL     1       9.762   0.491   0.237  1.00  0.00           H  
HETATM  117  H   UNL     1       9.694   1.341   1.799  1.00  0.00           H  
HETATM  118  H   UNL     1       8.519   0.054   1.434  1.00  0.00           H  
HETATM  119  H   UNL     1       9.629   2.680  -0.960  1.00  0.00           H  
HETATM  120  H   UNL     1       8.292   3.803  -0.615  1.00  0.00           H  
HETATM  121  H   UNL     1      -5.014   5.086   1.658  1.00  0.00           H  
HETATM  122  H   UNL     1      -5.403   5.694   0.035  1.00  0.00           H  
HETATM  123  H   UNL     1      -7.471   5.413   1.252  1.00  0.00           H  
HETATM  124  H   UNL     1      -7.902   4.693  -1.037  1.00  0.00           H  
HETATM  125  H   UNL     1      -6.720   1.971  -0.267  1.00  0.00           H  
HETATM  126  H   UNL     1      -7.311   3.253  -2.970  1.00  0.00           H  
HETATM  127  H   UNL     1      -6.755   1.586  -2.692  1.00  0.00           H  
HETATM  128  H   UNL     1      -8.369   2.090  -2.137  1.00  0.00           H  
HETATM  129  H   UNL     1      -9.170   3.434   2.285  1.00  0.00           H  
HETATM  130  H   UNL     1      -8.457   1.881   1.779  1.00  0.00           H  
HETATM  131  H   UNL     1       1.321  -7.113   0.521  1.00  0.00           H  
HETATM  132  H   UNL     1      -0.593  -6.789  -1.663  1.00  0.00           H  
HETATM  133  H   UNL     1      -3.078  -6.618  -2.257  1.00  0.00           H  
HETATM  134  H   UNL     1       1.913   0.286   0.744  1.00  0.00           H  
HETATM  135  H   UNL     1      -0.963  -1.749   2.258  1.00  0.00           H  
HETATM  136  H   UNL     1      11.095   5.127   1.344  1.00  0.00           H  
HETATM  137  H   UNL     1       3.508   3.637  -0.857  1.00  0.00           H  
CONECT    1   52    2    2    9                                       
CONECT    2   51    1    1    3                                       
CONECT    3    2    4    4   71                                       
CONECT    4    3    3   10   62                                       
CONECT    5   10   10    6   11                                       
CONECT    6    7    7    5   54                                       
CONECT    7    8   14    6    6                                       
CONECT    8   53    9    9    7                                       
CONECT    9    1    8    8   10                                       
CONECT   10    9    4    5    5                                       
CONECT   11    5   55   55   12                                       
CONECT   12   11   54   13   56                                       
CONECT   13   12   72   73   74                                       
CONECT   14    7   75   76   77                                       
CONECT   15   16   61   61   51                                       
CONECT   16   30   17   17   15                                       
CONECT   17   16   16   18   78                                       
CONECT   18   17   19   79   80                                       
CONECT   19   18   20   81   82                                       
CONECT   20   19   31   21   83                                       
CONECT   21   20   60   22   84                                       
CONECT   22   21   32   23   85                                       
CONECT   23   22   70   24   86                                       
CONECT   24   23   33   25   87                                       
CONECT   25   24   26   58   88                                       
CONECT   26   34   25   27   89                                       
CONECT   27   26   28   57   90                                       
CONECT   28   27   29   29   91                                       
CONECT   29   28   28   56   92                                       
CONECT   30   16   93   94   95                                       
CONECT   31   38   20   63   96                                       
CONECT   32   22   97   98   99                                       
CONECT   33   24  100  101  102                                       
CONECT   34   26  103  104  105                                       
CONECT   35   59   59   58   36                                       
CONECT   36   35  106  107  108                                       
CONECT   37   57   45   67  109                                       
CONECT   38   31  110  111  112                                       
CONECT   39   63   40   64   64                                       
CONECT   40   43   39   42   41                                       
CONECT   41   40  113  114  115                                       
CONECT   42   40  116  117  118                                       
CONECT   43   44   40  119  120                                       
CONECT   44   65   65   66   43                                       
CONECT   45   37   46  121  122                                       
CONECT   46   45   69   47  123                                       
CONECT   47   46   48   68  124                                       
CONECT   48   67   47   49  125                                       
CONECT   49   48  126  127  128                                       
CONECT   50   69   68  129  130                                       
CONECT   51   15    2  131                                            
CONECT   52    1  132                                                 
CONECT   53    8  133                                                 
CONECT   54    6   12                                                 
CONECT   55   11   11                                                 
CONECT   56   12   29                                                 
CONECT   57   27   37                                                 
CONECT   58   25   35                                                 
CONECT   59   35   35                                                 
CONECT   60   21  134                                                 
CONECT   61   15   15                                                 
CONECT   62    4  135                                                 
CONECT   63   31   39                                                 
CONECT   64   39   39                                                 
CONECT   65   44   44                                                 
CONECT   66   44  136                                                 
CONECT   67   37   48                                                 
CONECT   68   50   47                                                 
CONECT   69   46   50                                                 
CONECT   70   23  137                                                 
CONECT   71    3                                                      
CONECT   72   13                                                      
CONECT   73   13                                                      
CONECT   74   13                                                      
CONECT   75   14                                                      
CONECT   76   14                                                      
CONECT   77   14                                                      
CONECT   78   17                                                      
CONECT   79   18                                                      
CONECT   80   18                                                      
CONECT   81   19                                                      
CONECT   82   19                                                      
CONECT   83   20                                                      
CONECT   84   21                                                      
CONECT   85   22                                                      
CONECT   86   23                                                      
CONECT   87   24                                                      
CONECT   88   25                                                      
CONECT   89   26                                                      
CONECT   90   27                                                      
CONECT   91   28                                                      
CONECT   92   29                                                      
CONECT   93   30                                                      
CONECT   94   30                                                      
CONECT   95   30                                                      
CONECT   96   31                                                      
CONECT   97   32                                                      
CONECT   98   32                                                      
CONECT   99   32                                                      
CONECT  100   33                                                      
CONECT  101   33                                                      
CONECT  102   33                                                      
CONECT  103   34                                                      
CONECT  104   34                                                      
CONECT  105   34                                                      
CONECT  106   36                                                      
CONECT  107   36                                                      
CONECT  108   36                                                      
CONECT  109   37                                                      
CONECT  110   38                                                      
CONECT  111   38                                                      
CONECT  112   38                                                      
CONECT  113   41                                                      
CONECT  114   41                                                      
CONECT  115   41                                                      
CONECT  116   42                                                      
CONECT  117   42                                                      
CONECT  118   42                                                      
CONECT  119   43                                                      
CONECT  120   43                                                      
CONECT  121   45                                                      
CONECT  122   45                                                      
CONECT  123   46                                                      
CONECT  124   47                                                      
CONECT  125   48                                                      
CONECT  126   49                                                      
CONECT  127   49                                                      
CONECT  128   49                                                      
CONECT  129   50                                                      
CONECT  130   50                                                      
CONECT  131   51                                                      
CONECT  132   52                                                      
CONECT  133   53                                                      
CONECT  134   60                                                      
CONECT  135   62                                                      
CONECT  136   66                                                      
CONECT  137   70                                                      
MASTER        0    0    0    0    0    0    0    0  137    0  137    0
END
