COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.256  -6.183  -1.114  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.260  -2.958  -3.226  1.00  0.00           C  
HETATM    3  C   UNL     1       2.828   4.950  -1.843  1.00  0.00           C  
HETATM    4  C   UNL     1       5.070  -4.050  -0.454  1.00  0.00           C  
HETATM    5  C   UNL     1       1.771   3.660  -0.129  1.00  0.00           C  
HETATM    6  C   UNL     1       4.156   3.952  -0.004  1.00  0.00           C  
HETATM    7  C   UNL     1       4.124   4.724  -1.185  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.415  -1.788  -1.321  1.00  0.00           C  
HETATM    9  C   UNL     1       6.361  -4.569  -0.493  1.00  0.00           C  
HETATM   10  C   UNL     1       7.197  -2.555   0.446  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.569   1.765  -0.206  1.00  0.00           C  
HETATM   12  C   UNL     1       3.999  -4.865  -0.755  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.022   1.133   0.414  1.00  0.00           C  
HETATM   14  C   UNL     1       2.517   0.744  -0.413  1.00  0.00           C  
HETATM   15  C   UNL     1       4.850  -1.740  -1.331  1.00  0.00           C  
HETATM   16  C   UNL     1       3.538  -2.456   0.674  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.739   1.679   4.425  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.803  -0.407   3.055  1.00  0.00           C  
HETATM   19  C   UNL     1       4.684  -0.270  -0.932  1.00  0.00           C  
HETATM   20  C   UNL     1       3.355  -0.994   1.094  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.383   0.284  -1.774  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.612  -1.122   0.045  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.872  -2.842  -0.531  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.845   1.547  -1.092  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.042   0.083   0.801  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.719   1.001   5.343  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.781  -1.024   4.013  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.601   1.110   3.010  1.00  0.00           C  
HETATM   29  C   UNL     1       4.865  -2.607  -0.071  1.00  0.00           C  
HETATM   30  C   UNL     1       5.464   3.697   0.700  1.00  0.00           C  
HETATM   31  C   UNL     1       0.526   3.069   0.480  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.659   1.740   2.101  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.442   1.266   0.662  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.619  -1.857  -2.699  1.00  0.00           C  
HETATM   35  C   UNL     1       0.287   1.674  -0.101  1.00  0.00           C  
HETATM   36  C   UNL     1       1.667   4.392  -1.266  1.00  0.00           C  
HETATM   37  C   UNL     1       3.003   3.439   0.492  1.00  0.00           C  
HETATM   38  C   UNL     1       5.562  -6.629  -1.153  1.00  0.00           C  
HETATM   39  C   UNL     1       3.086   5.725  -2.959  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.504  -3.908  -1.137  1.00  0.00           C  
HETATM   41  N   UNL     1       6.565  -5.826  -0.848  1.00  0.00           N  
HETATM   42  N   UNL     1       1.377   0.782   0.304  1.00  0.00           N  
HETATM   43  N   UNL     1      -1.954  -0.449   5.353  1.00  0.00           N  
HETATM   44  N   UNL     1       4.404   5.961  -3.000  1.00  0.00           N  
HETATM   45  N   UNL     1       5.034   5.346  -1.913  1.00  0.00           N  
HETATM   46  N   UNL     1      -9.678  -3.936  -2.445  1.00  0.00           N  
HETATM   47  N   UNL     1       7.430  -3.750  -0.130  1.00  0.00           N  
HETATM   48  N   UNL     1      -7.771  -0.694  -0.749  1.00  0.00           N  
HETATM   49  N   UNL     1      -5.770   1.156  -0.167  1.00  0.00           N  
HETATM   50  N   UNL     1       3.483  -0.141  -0.095  1.00  0.00           N  
HETATM   51  N   UNL     1      -2.170   1.792   0.161  1.00  0.00           N  
HETATM   52  O   UNL     1       8.124  -1.793   0.639  1.00  0.00           O  
HETATM   53  O   UNL     1      -4.394   2.715  -0.939  1.00  0.00           O  
HETATM   54  O   UNL     1      -1.043   0.104   1.056  1.00  0.00           O  
HETATM   55  O   UNL     1       2.675   1.508  -1.345  1.00  0.00           O  
HETATM   56  O   UNL     1       5.957  -2.189   0.792  1.00  0.00           O  
HETATM   57  H   UNL     1       3.443  -6.852  -1.355  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.427  -3.018  -4.292  1.00  0.00           H  
HETATM   59  H   UNL     1       2.987  -4.489  -0.714  1.00  0.00           H  
HETATM   60  H   UNL     1       4.019  -2.040  -1.969  1.00  0.00           H  
HETATM   61  H   UNL     1       5.788  -1.867  -1.871  1.00  0.00           H  
HETATM   62  H   UNL     1       3.544  -3.091   1.560  1.00  0.00           H  
HETATM   63  H   UNL     1       2.718  -2.752   0.020  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.746   1.489   4.797  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.554   2.753   4.405  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.664  -0.823   2.057  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.811  -0.630   3.406  1.00  0.00           H  
HETATM   68  H   UNL     1       5.558   0.057  -0.370  1.00  0.00           H  
HETATM   69  H   UNL     1       4.576   0.341  -1.828  1.00  0.00           H  
HETATM   70  H   UNL     1       2.367  -0.861   1.535  1.00  0.00           H  
HETATM   71  H   UNL     1       4.121  -0.724   1.821  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.252   0.540  -2.380  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.609  -0.144  -2.411  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.848  -1.531  -0.617  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.921  -1.886   0.759  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.732  -2.826   0.539  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.450   2.229  -1.845  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.647   2.034  -0.538  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.766   0.429   1.538  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.117  -0.204   1.303  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.711   1.202   4.978  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.824   1.393   6.354  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.932  -2.103   4.059  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.774  -0.813   3.654  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.607   1.334   2.622  1.00  0.00           H  
HETATM   86  H   UNL     1       5.644   4.487   1.430  1.00  0.00           H  
HETATM   87  H   UNL     1       5.421   2.735   1.210  1.00  0.00           H  
HETATM   88  H   UNL     1       6.274   3.686  -0.030  1.00  0.00           H  
HETATM   89  H   UNL     1       0.649   2.996   1.561  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.327   3.708   0.254  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.652   1.439   2.437  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.574   2.826   2.143  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.420   0.177   0.637  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.279  -1.060  -3.344  1.00  0.00           H  
HETATM   95  H   UNL     1       0.252   1.734  -1.189  1.00  0.00           H  
HETATM   96  H   UNL     1       0.702   4.548  -1.725  1.00  0.00           H  
HETATM   97  H   UNL     1       3.037   2.849   1.396  1.00  0.00           H  
HETATM   98  H   UNL     1       5.766  -7.651  -1.436  1.00  0.00           H  
HETATM   99  H   UNL     1       2.354   6.076  -3.671  1.00  0.00           H  
HETATM  100  H   UNL     1      -9.861  -4.729  -0.534  1.00  0.00           H  
HETATM  101  H   UNL     1       1.277   0.220   1.088  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.356  -0.907   6.023  1.00  0.00           H  
HETATM  103  H   UNL     1       4.854   6.482  -3.684  1.00  0.00           H  
HETATM  104  H   UNL     1       8.341  -4.044  -0.286  1.00  0.00           H  
HETATM  105  H   UNL     1      -2.154   2.615  -0.352  1.00  0.00           H  
CONECT    1   38   38   12   57                                       
CONECT    2   46   46   34   58                                       
CONECT    3   36   39   39    7                                       
CONECT    4    9   29   12   12                                       
CONECT    5   31   36   36   37                                       
CONECT    6   37   37    7   30                                       
CONECT    7    3    6   45   45                                       
CONECT    8   34   34   23   48                                       
CONECT    9   47   41   41    4                                       
CONECT   10   52   52   47   56                                       
CONECT   11   53   53   49   33                                       
CONECT   12    4    4    1   59                                       
CONECT   13   35   54   54   51                                       
CONECT   14   50   42   55   55                                       
CONECT   15   29   19   60   61                                       
CONECT   16   20   29   62   63                                       
CONECT   17   28   26   64   65                                       
CONECT   18   28   27   66   67                                       
CONECT   19   50   15   68   69                                       
CONECT   20   16   50   70   71                                       
CONECT   21   48   24   72   73                                       
CONECT   22   48   25   74   75                                       
CONECT   23   40   40    8   76                                       
CONECT   24   21   49   77   78                                       
CONECT   25   22   49   79   80                                       
CONECT   26   17   43   81   82                                       
CONECT   27   18   43   83   84                                       
CONECT   28   32   17   18   85                                       
CONECT   29   56   16    4   15                                       
CONECT   30    6   86   87   88                                       
CONECT   31   35    5   89   90                                       
CONECT   32   33   28   91   92                                       
CONECT   33   51   11   32   93                                       
CONECT   34    2    8    8   94                                       
CONECT   35   42   31   13   95                                       
CONECT   36    5    5    3   96                                       
CONECT   37    5    6    6   97                                       
CONECT   38   41    1    1   98                                       
CONECT   39    3    3   44   99                                       
CONECT   40   46   23   23  100                                       
CONECT   41    9    9   38                                            
CONECT   42   14   35  101                                            
CONECT   43   26   27  102                                            
CONECT   44   39   45  103                                            
CONECT   45    7    7   44                                            
CONECT   46    2    2   40                                            
CONECT   47   10    9  104                                            
CONECT   48    8   21   22                                            
CONECT   49   24   11   25                                            
CONECT   50   20   19   14                                            
CONECT   51   13   33  105                                            
CONECT   52   10   10                                                 
CONECT   53   11   11                                                 
CONECT   54   13   13                                                 
CONECT   55   14   14                                                 
CONECT   56   10   29                                                 
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59   12                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   25                                                      
CONECT   81   26                                                      
CONECT   82   26                                                      
CONECT   83   27                                                      
CONECT   84   27                                                      
CONECT   85   28                                                      
CONECT   86   30                                                      
CONECT   87   30                                                      
CONECT   88   30                                                      
CONECT   89   31                                                      
CONECT   90   31                                                      
CONECT   91   32                                                      
CONECT   92   32                                                      
CONECT   93   33                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   36                                                      
CONECT   97   37                                                      
CONECT   98   38                                                      
CONECT   99   39                                                      
CONECT  100   40                                                      
CONECT  101   42                                                      
CONECT  102   43                                                      
CONECT  103   44                                                      
CONECT  104   47                                                      
CONECT  105   51                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END
