COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.958   4.530   0.481  1.00  0.00           C  
HETATM    2  C   UNL     1       1.571   4.062   0.051  1.00  0.00           C  
HETATM    3  C   UNL     1       0.970   3.053   0.894  1.00  0.00           C  
HETATM    4  C   UNL     1       1.647   3.670  -1.462  1.00  0.00           C  
HETATM    5  O   UNL     1       0.686   5.252   0.152  1.00  0.00           O  
HETATM    6  N   UNL     1      -0.449   3.449   1.066  1.00  0.00           N  
HETATM    7  C   UNL     1       1.618   2.718   2.217  1.00  0.00           C  
HETATM    8  C   UNL     1       1.474   4.852  -2.381  1.00  0.00           C  
HETATM    9  O   UNL     1       2.924   2.988  -1.724  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.457   4.736   0.736  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.583   2.667   1.432  1.00  0.00           C  
HETATM   12  C   UNL     1       0.950   3.540   3.378  1.00  0.00           C  
HETATM   13  C   UNL     1       1.601   1.234   2.476  1.00  0.00           C  
HETATM   14  C   UNL     1       1.437   4.369  -3.832  1.00  0.00           C  
HETATM   15  C   UNL     1       2.923   1.744  -2.227  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.409   5.511   0.943  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.295   2.178   0.169  1.00  0.00           C  
HETATM   18  O   UNL     1       0.590   0.680   2.082  1.00  0.00           O  
HETATM   19  C   UNL     1       2.601   0.468   3.324  1.00  0.00           C  
HETATM   20  O   UNL     1       1.829   1.194  -2.432  1.00  0.00           O  
HETATM   21  C   UNL     1       4.208   1.126  -2.572  1.00  0.00           C  
HETATM   22  C   UNL     1       3.590   1.401   4.031  1.00  0.00           C  
HETATM   23  C   UNL     1       3.265  -0.562   2.505  1.00  0.00           C  
HETATM   24  C   UNL     1       4.405   1.151  -4.081  1.00  0.00           C  
HETATM   25  F   UNL     1       5.281   1.726  -1.881  1.00  0.00           F  
HETATM   26  C   UNL     1       4.176  -0.327  -2.146  1.00  0.00           C  
HETATM   27  C   UNL     1       4.162  -0.278   1.404  1.00  0.00           C  
HETATM   28  O   UNL     1       3.577  -1.103  -2.857  1.00  0.00           O  
HETATM   29  C   UNL     1       4.892  -0.864  -0.992  1.00  0.00           C  
HETATM   30  O   UNL     1       5.555  -0.616   1.840  1.00  0.00           O  
HETATM   31  C   UNL     1       4.194   1.260   1.041  1.00  0.00           C  
HETATM   32  C   UNL     1       3.905  -1.124   0.147  1.00  0.00           C  
HETATM   33  C   UNL     1       5.580  -2.199  -1.303  1.00  0.00           C  
HETATM   34  C   UNL     1       5.955   0.022   3.054  1.00  0.00           C  
HETATM   35  O   UNL     1       3.881  -2.473   0.507  1.00  0.00           O  
HETATM   36  C   UNL     1       2.923  -3.250  -0.214  1.00  0.00           C  
HETATM   37  C   UNL     1       3.069  -4.725   0.171  1.00  0.00           C  
HETATM   38  O   UNL     1       1.605  -2.803   0.110  1.00  0.00           O  
HETATM   39  O   UNL     1       4.367  -5.191  -0.203  1.00  0.00           O  
HETATM   40  C   UNL     1       2.000  -5.543  -0.559  1.00  0.00           C  
HETATM   41  C   UNL     1       0.566  -3.500  -0.580  1.00  0.00           C  
HETATM   42  N   UNL     1       2.083  -6.948  -0.139  1.00  0.00           N  
HETATM   43  C   UNL     1       0.617  -4.985  -0.209  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.791  -2.920  -0.178  1.00  0.00           C  
HETATM   45  C   UNL     1       1.695  -7.100   1.270  1.00  0.00           C  
HETATM   46  C   UNL     1       1.265  -7.807  -1.005  1.00  0.00           C  
HETATM   47  N   UNL     1     -11.908  -2.368   1.023  1.00  0.00           N  
HETATM   48  C   UNL     1     -11.172  -1.459   0.259  1.00  0.00           C  
HETATM   49  C   UNL     1     -11.817  -0.642  -0.662  1.00  0.00           C  
HETATM   50  C   UNL     1     -11.092   0.259  -1.419  1.00  0.00           C  
HETATM   51  C   UNL     1      -9.723   0.353  -1.264  1.00  0.00           C  
HETATM   52  C   UNL     1      -9.068  -0.462  -0.343  1.00  0.00           C  
HETATM   53  C   UNL     1      -9.798  -1.366   0.424  1.00  0.00           C  
HETATM   54  C   UNL     1      -7.596  -0.362  -0.176  1.00  0.00           C  
HETATM   55  C   UNL     1      -6.762   0.536  -0.776  1.00  0.00           C  
HETATM   56  N   UNL     1      -5.519   0.249  -0.328  1.00  0.00           N  
HETATM   57  N   UNL     1      -5.597  -0.748   0.481  1.00  0.00           N  
HETATM   58  N   UNL     1      -6.818  -1.136   0.602  1.00  0.00           N  
HETATM   59  C   UNL     1      -4.291   0.954  -0.702  1.00  0.00           C  
HETATM   60  C   UNL     1      -3.578   1.442   0.560  1.00  0.00           C  
HETATM   61  H   UNL     1       2.910   4.926   1.495  1.00  0.00           H  
HETATM   62  H   UNL     1       3.650   3.688   0.452  1.00  0.00           H  
HETATM   63  H   UNL     1       3.305   5.309  -0.198  1.00  0.00           H  
HETATM   64  H   UNL     1       0.974   2.032   0.295  1.00  0.00           H  
HETATM   65  H   UNL     1       0.839   2.992  -1.634  1.00  0.00           H  
HETATM   66  H   UNL     1       2.692   3.018   2.227  1.00  0.00           H  
HETATM   67  H   UNL     1       0.542   5.364  -2.145  1.00  0.00           H  
HETATM   68  H   UNL     1       2.310   5.540  -2.249  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.258   1.809   2.021  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.268   3.275   2.024  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.088   3.227   3.494  1.00  0.00           H  
HETATM   72  H   UNL     1       1.490   3.359   4.308  1.00  0.00           H  
HETATM   73  H   UNL     1       0.984   4.602   3.138  1.00  0.00           H  
HETATM   74  H   UNL     1       1.312   5.223  -4.497  1.00  0.00           H  
HETATM   75  H   UNL     1       2.369   3.857  -4.069  1.00  0.00           H  
HETATM   76  H   UNL     1       0.601   3.681  -3.964  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.544   3.032  -0.461  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.640   1.501  -0.378  1.00  0.00           H  
HETATM   79  H   UNL     1       2.041  -0.011   4.168  1.00  0.00           H  
HETATM   80  H   UNL     1       3.042   2.094   4.670  1.00  0.00           H  
HETATM   81  H   UNL     1       4.276   0.812   4.638  1.00  0.00           H  
HETATM   82  H   UNL     1       4.154   1.963   3.286  1.00  0.00           H  
HETATM   83  H   UNL     1       3.802  -1.246   3.281  1.00  0.00           H  
HETATM   84  H   UNL     1       2.418  -1.204   2.116  1.00  0.00           H  
HETATM   85  H   UNL     1       4.397   2.182  -4.432  1.00  0.00           H  
HETATM   86  H   UNL     1       5.361   0.690  -4.330  1.00  0.00           H  
HETATM   87  H   UNL     1       3.599   0.597  -4.562  1.00  0.00           H  
HETATM   88  H   UNL     1       5.638  -0.086  -0.632  1.00  0.00           H  
HETATM   89  H   UNL     1       4.668   1.815   1.850  1.00  0.00           H  
HETATM   90  H   UNL     1       4.761   1.405   0.121  1.00  0.00           H  
HETATM   91  H   UNL     1       3.175   1.622   0.900  1.00  0.00           H  
HETATM   92  H   UNL     1       2.888  -0.883  -0.217  1.00  0.00           H  
HETATM   93  H   UNL     1       6.299  -2.058  -2.110  1.00  0.00           H  
HETATM   94  H   UNL     1       6.098  -2.556  -0.413  1.00  0.00           H  
HETATM   95  H   UNL     1       4.832  -2.931  -1.607  1.00  0.00           H  
HETATM   96  H   UNL     1       5.345  -0.350   3.878  1.00  0.00           H  
HETATM   97  H   UNL     1       7.004  -0.197   3.251  1.00  0.00           H  
HETATM   98  H   UNL     1       5.820   1.099   2.959  1.00  0.00           H  
HETATM   99  H   UNL     1       3.093  -3.136  -1.284  1.00  0.00           H  
HETATM  100  H   UNL     1       2.939  -4.835   1.248  1.00  0.00           H  
HETATM  101  H   UNL     1       5.093  -4.713   0.220  1.00  0.00           H  
HETATM  102  H   UNL     1       2.159  -5.474  -1.635  1.00  0.00           H  
HETATM  103  H   UNL     1       0.705  -3.389  -1.655  1.00  0.00           H  
HETATM  104  H   UNL     1      -0.147  -5.526  -0.768  1.00  0.00           H  
HETATM  105  H   UNL     1       0.438  -5.100   0.859  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.827  -1.863  -0.441  1.00  0.00           H  
HETATM  107  H   UNL     1      -1.584  -3.452  -0.704  1.00  0.00           H  
HETATM  108  H   UNL     1      -0.930  -3.032   0.897  1.00  0.00           H  
HETATM  109  H   UNL     1       0.669  -6.755   1.403  1.00  0.00           H  
HETATM  110  H   UNL     1       1.766  -8.149   1.556  1.00  0.00           H  
HETATM  111  H   UNL     1       2.362  -6.507   1.896  1.00  0.00           H  
HETATM  112  H   UNL     1       1.669  -7.791  -2.018  1.00  0.00           H  
HETATM  113  H   UNL     1       1.280  -8.828  -0.624  1.00  0.00           H  
HETATM  114  H   UNL     1       0.239  -7.439  -1.017  1.00  0.00           H  
HETATM  115  H   UNL     1     -12.869  -2.429   0.910  1.00  0.00           H  
HETATM  116  H   UNL     1     -11.457  -2.938   1.665  1.00  0.00           H  
HETATM  117  H   UNL     1     -12.888  -0.711  -0.787  1.00  0.00           H  
HETATM  118  H   UNL     1     -11.598   0.891  -2.134  1.00  0.00           H  
HETATM  119  H   UNL     1      -9.160   1.058  -1.857  1.00  0.00           H  
HETATM  120  H   UNL     1      -9.295  -1.997   1.142  1.00  0.00           H  
HETATM  121  H   UNL     1      -7.039   1.317  -1.469  1.00  0.00           H  
HETATM  122  H   UNL     1      -3.636   0.276  -1.250  1.00  0.00           H  
HETATM  123  H   UNL     1      -4.539   1.807  -1.333  1.00  0.00           H  
HETATM  124  H   UNL     1      -3.330   0.589   1.191  1.00  0.00           H  
HETATM  125  H   UNL     1      -4.234   2.120   1.108  1.00  0.00           H  
CONECT    1    2   61   62   63                                       
CONECT    2    1    5    3    4                                       
CONECT    3    2    7    6   64                                       
CONECT    4    2    8    9   65                                       
CONECT    5    2   10                                                 
CONECT    6    3   10   11                                            
CONECT    7    3   13   12   66                                       
CONECT    8    4   14   67   68                                       
CONECT    9    4   15                                                 
CONECT   10    5    6   16   16                                       
CONECT   11    6   17   69   70                                       
CONECT   12    7   71   72   73                                       
CONECT   13    7   18   18   19                                       
CONECT   14    8   74   75   76                                       
CONECT   15    9   20   20   21                                       
CONECT   16   10   10                                                 
CONECT   17   11   60   77   78                                       
CONECT   18   13   13                                                 
CONECT   19   13   22   23   79                                       
CONECT   20   15   15                                                 
CONECT   21   15   26   24   25                                       
CONECT   22   19   80   81   82                                       
CONECT   23   19   27   83   84                                       
CONECT   24   21   85   86   87                                       
CONECT   25   21                                                      
CONECT   26   21   29   28   28                                       
CONECT   27   23   31   30   32                                       
CONECT   28   26   26                                                 
CONECT   29   26   32   33   88                                       
CONECT   30   27   34                                                 
CONECT   31   27   89   90   91                                       
CONECT   32   29   27   35   92                                       
CONECT   33   29   93   94   95                                       
CONECT   34   30   96   97   98                                       
CONECT   35   32   36                                                 
CONECT   36   35   38   37   99                                       
CONECT   37   36   39   40  100                                       
CONECT   38   36   41                                                 
CONECT   39   37  101                                                 
CONECT   40   37   43   42  102                                       
CONECT   41   38   44   43  103                                       
CONECT   42   40   45   46                                            
CONECT   43   40   41  104  105                                       
CONECT   44   41  106  107  108                                       
CONECT   45   42  109  110  111                                       
CONECT   46   42  112  113  114                                       
CONECT   47   48  115  116                                            
CONECT   48   47   49   53   53                                       
CONECT   49   48   50   50  117                                       
CONECT   50   49   49   51  118                                       
CONECT   51   50   52   52  119                                       
CONECT   52   51   51   53   54                                       
CONECT   53   48   48   52  120                                       
CONECT   54   52   55   55   58                                       
CONECT   55   54   54   56  121                                       
CONECT   56   55   59   57                                            
CONECT   57   56   58   58                                            
CONECT   58   54   57   57                                            
CONECT   59   56   60  122  123                                       
CONECT   60   59   17  124  125                                       
CONECT   61    1                                                      
CONECT   62    1                                                      
CONECT   63    1                                                      
CONECT   64    3                                                      
CONECT   65    4                                                      
CONECT   66    7                                                      
CONECT   67    8                                                      
CONECT   68    8                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   12                                                      
CONECT   73   12                                                      
CONECT   74   14                                                      
CONECT   75   14                                                      
CONECT   76   14                                                      
CONECT   77   17                                                      
CONECT   78   17                                                      
CONECT   79   19                                                      
CONECT   80   22                                                      
CONECT   81   22                                                      
CONECT   82   22                                                      
CONECT   83   23                                                      
CONECT   84   23                                                      
CONECT   85   24                                                      
CONECT   86   24                                                      
CONECT   87   24                                                      
CONECT   88   29                                                      
CONECT   89   31                                                      
CONECT   90   31                                                      
CONECT   91   31                                                      
CONECT   92   32                                                      
CONECT   93   33                                                      
CONECT   94   33                                                      
CONECT   95   33                                                      
CONECT   96   34                                                      
CONECT   97   34                                                      
CONECT   98   34                                                      
CONECT   99   36                                                      
CONECT  100   37                                                      
CONECT  101   39                                                      
CONECT  102   40                                                      
CONECT  103   41                                                      
CONECT  104   43                                                      
CONECT  105   43                                                      
CONECT  106   44                                                      
CONECT  107   44                                                      
CONECT  108   44                                                      
CONECT  109   45                                                      
CONECT  110   45                                                      
CONECT  111   45                                                      
CONECT  112   46                                                      
CONECT  113   46                                                      
CONECT  114   46                                                      
CONECT  115   47                                                      
CONECT  116   47                                                      
CONECT  117   49                                                      
CONECT  118   50                                                      
CONECT  119   51                                                      
CONECT  120   53                                                      
CONECT  121   55                                                      
CONECT  122   59                                                      
CONECT  123   59                                                      
CONECT  124   60                                                      
CONECT  125   60                                                      
MASTER        0    0    0    0    0    0    0    0  125    0  125    0
END
