COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.529   0.376   2.134  1.00  0.00           C  
HETATM    2  C   UNL     1       7.944  -1.325   0.811  1.00  0.00           C  
HETATM    3  C   UNL     1       6.143   1.467   2.741  1.00  0.00           C  
HETATM    4  C   UNL     1       6.857   1.280   3.920  1.00  0.00           C  
HETATM    5  C   UNL     1       7.276   2.339   0.185  1.00  0.00           C  
HETATM    6  C   UNL     1       6.953   0.023   4.482  1.00  0.00           C  
HETATM    7  C   UNL     1       7.728  -0.171   5.760  1.00  0.00           C  
HETATM    8  C   UNL     1       7.398   3.408   2.386  1.00  0.00           C  
HETATM    9  C   UNL     1       8.274   2.792   1.273  1.00  0.00           C  
HETATM   10  C   UNL     1       7.353   0.847  -0.012  1.00  0.00           C  
HETATM   11  C   UNL     1       7.878   0.045   0.985  1.00  0.00           C  
HETATM   12  N   UNL     1       6.066   2.759   2.204  1.00  0.00           N  
HETATM   13  N   UNL     1       6.492  -1.671  -2.548  1.00  0.00           N  
HETATM   14  C   UNL     1       5.633  -0.886   2.703  1.00  0.00           C  
HETATM   15  N   UNL     1       4.579   4.284  -0.681  1.00  0.00           N  
HETATM   16  C   UNL     1       6.448  -2.429   4.497  1.00  0.00           C  
HETATM   17  C   UNL     1       7.487  -1.897  -0.360  1.00  0.00           C  
HETATM   18  C   UNL     1       6.955  -1.095  -1.361  1.00  0.00           C  
HETATM   19  C   UNL     1       6.635  -1.013  -3.716  1.00  0.00           C  
HETATM   20  C   UNL     1       6.041  -1.566  -4.952  1.00  0.00           C  
HETATM   21  C   UNL     1       5.328  -2.766  -4.912  1.00  0.00           C  
HETATM   22  C   UNL     1       6.340  -1.059   3.878  1.00  0.00           C  
HETATM   23  C   UNL     1       4.777  -3.276  -6.069  1.00  0.00           C  
HETATM   24  C   UNL     1       4.930  -2.601  -7.268  1.00  0.00           C  
HETATM   25  C   UNL     1       5.636  -1.412  -7.315  1.00  0.00           C  
HETATM   26  C   UNL     1       6.187  -0.888  -6.164  1.00  0.00           C  
HETATM   27  C   UNL     1       6.884   0.280  -1.181  1.00  0.00           C  
HETATM   28  C   UNL     1       5.891   2.738   0.739  1.00  0.00           C  
HETATM   29  C   UNL     1       5.549   4.112   0.234  1.00  0.00           C  
HETATM   30  C   UNL     1       3.856   3.245  -1.130  1.00  0.00           C  
HETATM   31  C   UNL     1       4.855   1.742   0.323  1.00  0.00           C  
HETATM   32  C   UNL     1       4.023  -0.566   0.385  1.00  0.00           C  
HETATM   33  C   UNL     1       2.600  -0.516   0.947  1.00  0.00           C  
HETATM   34  C   UNL     1       1.781  -1.668   0.363  1.00  0.00           C  
HETATM   35  C   UNL     1       0.358  -1.618   0.925  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.461  -2.771   0.341  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.297  -2.395   0.830  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.912  -1.122   1.414  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.521   0.982   0.661  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.614   1.724  -1.573  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.430   3.727  -1.739  1.00  0.00           C  
HETATM   42  C   UNL     1      -9.832   5.030  -2.079  1.00  0.00           C  
HETATM   43  C   UNL     1     -10.995   5.154  -0.090  1.00  0.00           C  
HETATM   44  C   UNL     1      -9.870   3.195  -0.515  1.00  0.00           C  
HETATM   45  C   UNL     1     -10.774   0.101   0.426  1.00  0.00           C  
HETATM   46  C   UNL     1     -10.445  -1.162   1.258  1.00  0.00           C  
HETATM   47  N   UNL     1     -10.644   3.938   0.271  1.00  0.00           N  
HETATM   48  N   UNL     1       3.961   2.026  -0.589  1.00  0.00           N  
HETATM   49  N   UNL     1       4.807   0.538   0.944  1.00  0.00           N  
HETATM   50  N   UNL     1      -9.340   1.932  -0.438  1.00  0.00           N  
HETATM   51  N   UNL     1      -8.668   2.778  -2.335  1.00  0.00           N  
HETATM   52  N   UNL     1      -9.430   5.606  -3.272  1.00  0.00           N  
HETATM   53  N   UNL     1     -10.606   5.696  -1.230  1.00  0.00           N  
HETATM   54  O   UNL     1       7.292   4.823   2.214  1.00  0.00           O  
HETATM   55  O   UNL     1      -3.020  -3.803  -1.128  1.00  0.00           O  
HETATM   56  O   UNL     1      -4.389  -3.196   0.904  1.00  0.00           O  
HETATM   57  O   UNL     1      -6.300  -4.940   1.372  1.00  0.00           O  
HETATM   58  O   UNL     1      -6.080  -3.800  -0.869  1.00  0.00           O  
HETATM   59  O   UNL     1      -6.887  -2.396   1.067  1.00  0.00           O  
HETATM   60  O   UNL     1      -8.439   0.026   0.691  1.00  0.00           O  
HETATM   61  O   UNL     1     -11.950   0.745   0.920  1.00  0.00           O  
HETATM   62  O   UNL     1     -11.079  -1.098   2.537  1.00  0.00           O  
HETATM   63  O   UNL     1       7.251   0.034  -3.753  1.00  0.00           O  
HETATM   64  O   UNL     1       6.154   5.075   0.655  1.00  0.00           O  
HETATM   65  O   UNL     1       3.084   3.417  -2.054  1.00  0.00           O  
HETATM   66  O   UNL     1       2.645  -0.636   2.370  1.00  0.00           O  
HETATM   67  O   UNL     1       1.735  -1.548  -1.060  1.00  0.00           O  
HETATM   68  O   UNL     1       0.403  -1.738   2.348  1.00  0.00           O  
HETATM   69  O   UNL     1      -1.819  -2.657   0.773  1.00  0.00           O  
HETATM   70  O   UNL     1      -2.630  -5.150   0.971  1.00  0.00           O  
HETATM   71  P   UNL     1      -2.966  -3.704   0.348  1.00  0.00           P  
HETATM   72  P   UNL     1      -5.918  -3.588   0.587  1.00  0.00           P  
HETATM   73  H   UNL     1       8.358  -1.948   1.590  1.00  0.00           H  
HETATM   74  H   UNL     1       7.338   2.122   4.398  1.00  0.00           H  
HETATM   75  H   UNL     1       7.473   2.857  -0.753  1.00  0.00           H  
HETATM   76  H   UNL     1       7.062  -0.040   6.613  1.00  0.00           H  
HETATM   77  H   UNL     1       8.150  -1.176   5.780  1.00  0.00           H  
HETATM   78  H   UNL     1       8.533   0.562   5.812  1.00  0.00           H  
HETATM   79  H   UNL     1       7.806   3.172   3.369  1.00  0.00           H  
HETATM   80  H   UNL     1       8.828   1.936   1.658  1.00  0.00           H  
HETATM   81  H   UNL     1       8.959   3.539   0.872  1.00  0.00           H  
HETATM   82  H   UNL     1       8.235   0.490   1.902  1.00  0.00           H  
HETATM   83  H   UNL     1       6.069  -2.543  -2.531  1.00  0.00           H  
HETATM   84  H   UNL     1       5.158  -1.732   2.229  1.00  0.00           H  
HETATM   85  H   UNL     1       4.397   5.174  -1.021  1.00  0.00           H  
HETATM   86  H   UNL     1       5.621  -2.581   5.190  1.00  0.00           H  
HETATM   87  H   UNL     1       6.409  -3.186   3.713  1.00  0.00           H  
HETATM   88  H   UNL     1       7.393  -2.511   5.034  1.00  0.00           H  
HETATM   89  H   UNL     1       7.544  -2.967  -0.497  1.00  0.00           H  
HETATM   90  H   UNL     1       5.209  -3.293  -3.978  1.00  0.00           H  
HETATM   91  H   UNL     1       4.226  -4.204  -6.040  1.00  0.00           H  
HETATM   92  H   UNL     1       4.497  -3.005  -8.171  1.00  0.00           H  
HETATM   93  H   UNL     1       5.752  -0.891  -8.253  1.00  0.00           H  
HETATM   94  H   UNL     1       6.733   0.043  -6.201  1.00  0.00           H  
HETATM   95  H   UNL     1       6.475   0.907  -1.959  1.00  0.00           H  
HETATM   96  H   UNL     1       4.486  -1.515   0.655  1.00  0.00           H  
HETATM   97  H   UNL     1       3.988  -0.474  -0.700  1.00  0.00           H  
HETATM   98  H   UNL     1       2.136   0.433   0.677  1.00  0.00           H  
HETATM   99  H   UNL     1       2.244  -2.617   0.633  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.106  -0.669   0.655  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.422  -2.730  -0.748  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.049  -3.720   0.684  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.746  -3.267   1.305  1.00  0.00           H  
HETATM  104  H   UNL     1      -8.484  -2.430  -0.244  1.00  0.00           H  
HETATM  105  H   UNL     1      -8.646  -1.032   2.467  1.00  0.00           H  
HETATM  106  H   UNL     1      -9.594   1.507   1.613  1.00  0.00           H  
HETATM  107  H   UNL     1      -8.071   0.820  -1.804  1.00  0.00           H  
HETATM  108  H   UNL     1     -11.625   5.730   0.572  1.00  0.00           H  
HETATM  109  H   UNL     1     -10.883  -0.146  -0.630  1.00  0.00           H  
HETATM  110  H   UNL     1     -10.751  -2.061   0.724  1.00  0.00           H  
HETATM  111  H   UNL     1      -8.864   5.109  -3.884  1.00  0.00           H  
HETATM  112  H   UNL     1      -9.714   6.506  -3.496  1.00  0.00           H  
HETATM  113  H   UNL     1       8.138   5.289   2.263  1.00  0.00           H  
HETATM  114  H   UNL     1      -6.216  -4.874   2.333  1.00  0.00           H  
HETATM  115  H   UNL     1     -12.746   0.198   0.877  1.00  0.00           H  
HETATM  116  H   UNL     1     -12.045  -1.061   2.496  1.00  0.00           H  
HETATM  117  H   UNL     1       3.047  -1.459   2.683  1.00  0.00           H  
HETATM  118  H   UNL     1       1.334  -0.725  -1.373  1.00  0.00           H  
HETATM  119  H   UNL     1       0.804  -2.561   2.660  1.00  0.00           H  
HETATM  120  H   UNL     1      -2.579  -5.159   1.936  1.00  0.00           H  
CONECT    1    3    3   14   49                                       
CONECT    2   11   11   17   73                                       
CONECT    3    4   12    1    1                                       
CONECT    4    6    6    3   74                                       
CONECT    5    9   28   10   75                                       
CONECT    6    7    4    4   22                                       
CONECT    7    6   76   77   78                                       
CONECT    8   54    9   12   79                                       
CONECT    9    8    5   80   81                                       
CONECT   10    5   27   27   11                                       
CONECT   11   10    2    2   82                                       
CONECT   12    8    3   28                                            
CONECT   13   18   19   83                                            
CONECT   14   22   22    1   84                                       
CONECT   15   29   30   85                                            
CONECT   16   22   86   87   88                                       
CONECT   17   18   18    2   89                                       
CONECT   18   27   13   17   17                                       
CONECT   19   13   20   63   63                                       
CONECT   20   21   19   26   26                                       
CONECT   21   23   23   20   90                                       
CONECT   22    6   16   14   14                                       
CONECT   23   21   21   24   91                                       
CONECT   24   23   25   25   92                                       
CONECT   25   24   24   26   93                                       
CONECT   26   20   20   25   94                                       
CONECT   27   10   10   18   95                                       
CONECT   28   12    5   29   31                                       
CONECT   29   64   64   28   15                                       
CONECT   30   15   48   65   65                                       
CONECT   31   28   49   48   48                                       
CONECT   32   49   33   96   97                                       
CONECT   33   66   32   34   98                                       
CONECT   34   33   67   35   99                                       
CONECT   35   34   68   36  100                                       
CONECT   36   35   69  101  102                                       
CONECT   37   38   59  103  104                                       
CONECT   38   46   37   60  105                                       
CONECT   39   45   50   60  106                                       
CONECT   40   51   51   50  107                                       
CONECT   41   51   44   44   42                                       
CONECT   42   41   52   53   53                                       
CONECT   43   47   47   53  108                                       
CONECT   44   50   41   41   47                                       
CONECT   45   61   46   39  109                                       
CONECT   46   45   62   38  110                                       
CONECT   47   44   43   43                                            
CONECT   48   31   31   30                                            
CONECT   49    1   31   32                                            
CONECT   50   40   39   44                                            
CONECT   51   40   40   41                                            
CONECT   52   42  111  112                                            
CONECT   53   42   42   43                                            
CONECT   54    8  113                                                 
CONECT   55   71   71                                                 
CONECT   56   72   71                                                 
CONECT   57   72  114                                                 
CONECT   58   72   72                                                 
CONECT   59   72   37                                                 
CONECT   60   39   38                                                 
CONECT   61   45  115                                                 
CONECT   62   46  116                                                 
CONECT   63   19   19                                                 
CONECT   64   29   29                                                 
CONECT   65   30   30                                                 
CONECT   66   33  117                                                 
CONECT   67   34  118                                                 
CONECT   68   35  119                                                 
CONECT   69   36   71                                                 
CONECT   70   71  120                                                 
CONECT   71   56   69   55   55                                       
CONECT   71   70                                                      
CONECT   72   58   58   57   59                                       
CONECT   72   56                                                      
CONECT   73    2                                                      
CONECT   74    4                                                      
CONECT   75    5                                                      
CONECT   76    7                                                      
CONECT   77    7                                                      
CONECT   78    7                                                      
CONECT   79    8                                                      
CONECT   80    9                                                      
CONECT   81    9                                                      
CONECT   82   11                                                      
CONECT   83   13                                                      
CONECT   84   14                                                      
CONECT   85   15                                                      
CONECT   86   16                                                      
CONECT   87   16                                                      
CONECT   88   16                                                      
CONECT   89   17                                                      
CONECT   90   21                                                      
CONECT   91   23                                                      
CONECT   92   24                                                      
CONECT   93   25                                                      
CONECT   94   26                                                      
CONECT   95   27                                                      
CONECT   96   32                                                      
CONECT   97   32                                                      
CONECT   98   33                                                      
CONECT   99   34                                                      
CONECT  100   35                                                      
CONECT  101   36                                                      
CONECT  102   36                                                      
CONECT  103   37                                                      
CONECT  104   37                                                      
CONECT  105   38                                                      
CONECT  106   39                                                      
CONECT  107   40                                                      
CONECT  108   43                                                      
CONECT  109   45                                                      
CONECT  110   46                                                      
CONECT  111   52                                                      
CONECT  112   52                                                      
CONECT  113   54                                                      
CONECT  114   57                                                      
CONECT  115   61                                                      
CONECT  116   62                                                      
CONECT  117   66                                                      
CONECT  118   67                                                      
CONECT  119   68                                                      
CONECT  120   70                                                      
MASTER        0    0    0    0    0    0    0    0  120    0  120    0
END
