COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.008   0.424  -0.109  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.106   1.204  -0.492  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.220  -0.846   0.462  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.373   0.729  -0.309  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.584  -0.522   0.254  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.521  -1.308   0.639  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.607   0.627  -0.158  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.011  -0.481   0.357  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.741  -2.698   1.338  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.820  -2.758   2.558  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.328  -2.961   2.726  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.694  -3.854   0.372  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.216  -5.153  -1.287  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.821  -4.377   3.028  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.561  -0.683   0.491  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.215   0.852  -1.385  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.859   2.312  -1.076  1.00  0.00           C  
HETATM   18  C   UNL     1       0.586   2.376  -0.644  1.00  0.00           C  
HETATM   19  C   UNL     1       1.321   1.262  -0.208  1.00  0.00           C  
HETATM   20  C   UNL     1       0.748  -0.133  -0.128  1.00  0.00           C  
HETATM   21  C   UNL     1       1.343  -1.006  -1.235  1.00  0.00           C  
HETATM   22  C   UNL     1       2.571   1.677   0.101  1.00  0.00           C  
HETATM   23  C   UNL     1       3.738   3.848   0.052  1.00  0.00           C  
HETATM   24  C   UNL     1       4.636   3.583   1.076  1.00  0.00           C  
HETATM   25  C   UNL     1       3.948   4.931  -0.791  1.00  0.00           C  
HETATM   26  C   UNL     1       5.050   5.743  -0.608  1.00  0.00           C  
HETATM   27  C   UNL     1       5.945   5.477   0.415  1.00  0.00           C  
HETATM   28  C   UNL     1       5.737   4.397   1.256  1.00  0.00           C  
HETATM   29  C   UNL     1       4.545   0.262  -0.178  1.00  0.00           C  
HETATM   30  C   UNL     1       4.946  -0.201   1.949  1.00  0.00           C  
HETATM   31  C   UNL     1       3.874   0.583   1.907  1.00  0.00           C  
HETATM   32  C   UNL     1       6.712   4.111   2.369  1.00  0.00           C  
HETATM   33  C   UNL     1       5.278   6.919  -1.522  1.00  0.00           C  
HETATM   34  C   UNL     1       6.480  -1.181   0.254  1.00  0.00           C  
HETATM   35  C   UNL     1       6.317  -2.527  -0.016  1.00  0.00           C  
HETATM   36  C   UNL     1       7.735  -0.586   0.133  1.00  0.00           C  
HETATM   37  C   UNL     1       8.821  -1.318  -0.252  1.00  0.00           C  
HETATM   38  C   UNL     1       8.686  -2.676  -0.531  1.00  0.00           C  
HETATM   39  C   UNL     1       7.424  -3.289  -0.412  1.00  0.00           C  
HETATM   40  C   UNL     1       7.613  -4.692  -0.766  1.00  0.00           C  
HETATM   41  C   UNL     1      10.993  -3.462  -1.177  1.00  0.00           C  
HETATM   42  C   UNL     1      -9.373   0.822  -1.777  1.00  0.00           C  
HETATM   43  C   UNL     1     -10.610   1.649  -2.132  1.00  0.00           C  
HETATM   44  C   UNL     1     -10.673   2.634   0.054  1.00  0.00           C  
HETATM   45  C   UNL     1      -9.438   1.846   0.497  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.552   1.571  -0.722  1.00  0.00           C  
HETATM   47  C   UNL     1     -11.593   2.860   1.255  1.00  0.00           C  
HETATM   48  C   UNL     1     -10.239   3.985  -0.518  1.00  0.00           C  
HETATM   49  F   UNL     1       7.022   6.273   0.592  1.00  0.00           F  
HETATM   50  F   UNL     1       5.100  -3.103   0.102  1.00  0.00           F  
HETATM   51  N   UNL     1      -3.985  -1.383   0.738  1.00  0.00           N  
HETATM   52  N   UNL     1      -4.385  -4.940   0.445  1.00  0.00           N  
HETATM   53  N   UNL     1      -2.907  -3.944  -0.758  1.00  0.00           N  
HETATM   54  N   UNL     1      -0.710  -0.013  -0.310  1.00  0.00           N  
HETATM   55  N   UNL     1       1.363   3.421  -0.602  1.00  0.00           N  
HETATM   56  N   UNL     1       2.623   3.018  -0.136  1.00  0.00           N  
HETATM   57  N   UNL     1       3.614   0.879   0.576  1.00  0.00           N  
HETATM   58  N   UNL     1       5.375  -0.408   0.646  1.00  0.00           N  
HETATM   59  N   UNL     1       9.562  -3.654  -0.929  1.00  0.00           N  
HETATM   60  N   UNL     1       8.870  -4.862  -1.060  1.00  0.00           N  
HETATM   61  O   UNL     1      -4.137  -5.691  -0.472  1.00  0.00           O  
HETATM   62  O   UNL     1      -2.754  -5.649  -2.297  1.00  0.00           O  
HETATM   63  O   UNL     1      -1.130  -1.456   1.326  1.00  0.00           O  
HETATM   64  O   UNL     1       4.621   0.299  -1.393  1.00  0.00           O  
HETATM   65  O   UNL     1     -11.373   1.895  -0.949  1.00  0.00           O  
HETATM   66  H   UNL     1      -5.952   2.179  -0.930  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.593  -0.883   0.392  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.695  -2.280   1.075  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.103   1.504  -0.536  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.180  -3.634   2.662  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.395  -1.820   2.915  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.895  -2.155   3.194  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.595  -4.627   4.065  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.898  -4.429   2.869  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.321  -5.084   2.367  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.298   0.749  -1.455  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.761   0.560  -2.332  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.001   2.920  -1.970  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.498   2.682  -0.274  1.00  0.00           H  
HETATM   80  H   UNL     1       0.967  -0.569   0.847  1.00  0.00           H  
HETATM   81  H   UNL     1       2.426  -1.054  -1.117  1.00  0.00           H  
HETATM   82  H   UNL     1       0.925  -2.010  -1.170  1.00  0.00           H  
HETATM   83  H   UNL     1       1.102  -0.574  -2.206  1.00  0.00           H  
HETATM   84  H   UNL     1       4.474   2.741   1.733  1.00  0.00           H  
HETATM   85  H   UNL     1       3.250   5.138  -1.589  1.00  0.00           H  
HETATM   86  H   UNL     1       5.403  -0.605   2.841  1.00  0.00           H  
HETATM   87  H   UNL     1       3.304   0.928   2.758  1.00  0.00           H  
HETATM   88  H   UNL     1       7.493   3.444   2.004  1.00  0.00           H  
HETATM   89  H   UNL     1       7.161   5.044   2.708  1.00  0.00           H  
HETATM   90  H   UNL     1       6.188   3.637   3.198  1.00  0.00           H  
HETATM   91  H   UNL     1       4.787   7.801  -1.109  1.00  0.00           H  
HETATM   92  H   UNL     1       6.348   7.108  -1.611  1.00  0.00           H  
HETATM   93  H   UNL     1       4.865   6.700  -2.506  1.00  0.00           H  
HETATM   94  H   UNL     1       7.849   0.467   0.346  1.00  0.00           H  
HETATM   95  H   UNL     1       9.787  -0.843  -0.342  1.00  0.00           H  
HETATM   96  H   UNL     1       6.847  -5.453  -0.782  1.00  0.00           H  
HETATM   97  H   UNL     1      11.548  -3.636  -0.255  1.00  0.00           H  
HETATM   98  H   UNL     1      11.327  -4.165  -1.940  1.00  0.00           H  
HETATM   99  H   UNL     1      11.169  -2.443  -1.520  1.00  0.00           H  
HETATM  100  H   UNL     1      -9.682  -0.144  -1.379  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.766   0.671  -2.670  1.00  0.00           H  
HETATM  102  H   UNL     1     -10.300   2.599  -2.568  1.00  0.00           H  
HETATM  103  H   UNL     1     -11.220   1.102  -2.851  1.00  0.00           H  
HETATM  104  H   UNL     1      -8.879   2.427   1.230  1.00  0.00           H  
HETATM  105  H   UNL     1      -9.749   0.901   0.942  1.00  0.00           H  
HETATM  106  H   UNL     1      -8.199   2.515  -1.138  1.00  0.00           H  
HETATM  107  H   UNL     1     -11.902   1.898   1.663  1.00  0.00           H  
HETATM  108  H   UNL     1     -11.059   3.424   2.020  1.00  0.00           H  
HETATM  109  H   UNL     1     -12.473   3.421   0.939  1.00  0.00           H  
HETATM  110  H   UNL     1     -11.118   4.545  -0.835  1.00  0.00           H  
HETATM  111  H   UNL     1      -9.705   4.548   0.247  1.00  0.00           H  
HETATM  112  H   UNL     1      -9.583   3.823  -1.374  1.00  0.00           H  
HETATM  113  H   UNL     1      -2.276  -3.291  -1.098  1.00  0.00           H  
CONECT    1    3    7    2    2                                       
CONECT    2    1    1    4   66                                       
CONECT    3   51    6    6    1                                       
CONECT    4    5    5    2   46                                       
CONECT    5    6    4    4   67                                       
CONECT    6    3    3    5   68                                       
CONECT    7    8    8    1   69                                       
CONECT    8   15   51    7    7                                       
CONECT    9   10   11   12   51                                       
CONECT   10   11    9   70   71                                       
CONECT   11   10   14    9   72                                       
CONECT   12   52   52    9   53                                       
CONECT   13   61   53   62   62                                       
CONECT   14   11   73   74   75                                       
CONECT   15   63   63   54    8                                       
CONECT   16   17   54   76   77                                       
CONECT   17   16   18   78   79                                       
CONECT   18   17   55   55   19                                       
CONECT   19   18   22   22   20                                       
CONECT   20   54   19   21   80                                       
CONECT   21   20   81   82   83                                       
CONECT   22   56   19   19   57                                       
CONECT   23   24   56   25   25                                       
CONECT   24   28   28   23   84                                       
CONECT   25   23   23   26   85                                       
CONECT   26   27   27   25   33                                       
CONECT   27   28   49   26   26                                       
CONECT   28   32   24   24   27                                       
CONECT   29   57   64   64   58                                       
CONECT   30   31   31   58   86                                       
CONECT   31   57   30   30   87                                       
CONECT   32   28   88   89   90                                       
CONECT   33   26   91   92   93                                       
CONECT   34   58   35   35   36                                       
CONECT   35   50   34   34   39                                       
CONECT   36   34   37   37   94                                       
CONECT   37   36   36   38   95                                       
CONECT   38   39   39   37   59                                       
CONECT   39   35   40   38   38                                       
CONECT   40   39   60   60   96                                       
CONECT   41   59   97   98   99                                       
CONECT   42   46   43  100  101                                       
CONECT   43   42   65  102  103                                       
CONECT   44   45   65   48   47                                       
CONECT   45   46   44  104  105                                       
CONECT   46    4   42   45  106                                       
CONECT   47   44  107  108  109                                       
CONECT   48   44  110  111  112                                       
CONECT   49   27                                                      
CONECT   50   35                                                      
CONECT   51    9    8    3                                            
CONECT   52   61   12   12                                            
CONECT   53   12   13  113                                            
CONECT   54   16   15   20                                            
CONECT   55   18   18   56                                            
CONECT   56   55   23   22                                            
CONECT   57   22   31   29                                            
CONECT   58   29   30   34                                            
CONECT   59   38   60   41                                            
CONECT   60   40   40   59                                            
CONECT   61   52   13                                                 
CONECT   62   13   13                                                 
CONECT   63   15   15                                                 
CONECT   64   29   29                                                 
CONECT   65   43   44                                                 
CONECT   66    2                                                      
CONECT   67    5                                                      
CONECT   68    6                                                      
CONECT   69    7                                                      
CONECT   70   10                                                      
CONECT   71   10                                                      
CONECT   72   11                                                      
CONECT   73   14                                                      
CONECT   74   14                                                      
CONECT   75   14                                                      
CONECT   76   16                                                      
CONECT   77   16                                                      
CONECT   78   17                                                      
CONECT   79   17                                                      
CONECT   80   20                                                      
CONECT   81   21                                                      
CONECT   82   21                                                      
CONECT   83   21                                                      
CONECT   84   24                                                      
CONECT   85   25                                                      
CONECT   86   30                                                      
CONECT   87   31                                                      
CONECT   88   32                                                      
CONECT   89   32                                                      
CONECT   90   32                                                      
CONECT   91   33                                                      
CONECT   92   33                                                      
CONECT   93   33                                                      
CONECT   94   36                                                      
CONECT   95   37                                                      
CONECT   96   40                                                      
CONECT   97   41                                                      
CONECT   98   41                                                      
CONECT   99   41                                                      
CONECT  100   42                                                      
CONECT  101   42                                                      
CONECT  102   43                                                      
CONECT  103   43                                                      
CONECT  104   45                                                      
CONECT  105   45                                                      
CONECT  106   46                                                      
CONECT  107   47                                                      
CONECT  108   47                                                      
CONECT  109   47                                                      
CONECT  110   48                                                      
CONECT  111   48                                                      
CONECT  112   48                                                      
CONECT  113   53                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END
