COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.733  -0.833   0.295  1.00  0.00           C  
HETATM    2  O   UNL     1       1.324  -0.773   0.066  1.00  0.00           O  
HETATM    3  C   UNL     1       3.220   0.514   0.833  1.00  0.00           C  
HETATM    4  O   UNL     1       2.935   1.539  -0.121  1.00  0.00           O  
HETATM    5  C   UNL     1       4.729   0.449   1.077  1.00  0.00           C  
HETATM    6  O   UNL     1       5.184   1.707   1.580  1.00  0.00           O  
HETATM    7  C   UNL     1       5.446   0.136  -0.238  1.00  0.00           C  
HETATM    8  O   UNL     1       6.855   0.076  -0.009  1.00  0.00           O  
HETATM    9  C   UNL     1       4.959  -1.211  -0.776  1.00  0.00           C  
HETATM   10  O   UNL     1       5.628  -1.503  -2.004  1.00  0.00           O  
HETATM   11  C   UNL     1       3.450  -1.147  -1.020  1.00  0.00           C  
HETATM   12  O   UNL     1       2.995  -2.405  -1.523  1.00  0.00           O  
HETATM   13  P   UNL     1       0.273  -1.744   0.806  1.00  0.00           P  
HETATM   14  O   UNL     1       0.449  -1.635   2.271  1.00  0.00           O  
HETATM   15  O   UNL     1       0.532  -3.265   0.345  1.00  0.00           O  
HETATM   16  O   UNL     1      -1.227  -1.312   0.411  1.00  0.00           O  
HETATM   17  P   UNL     1       5.901   1.872   3.012  1.00  0.00           P  
HETATM   18  O   UNL     1       5.030   1.308   4.067  1.00  0.00           O  
HETATM   19  O   UNL     1       7.307   1.088   3.002  1.00  0.00           O  
HETATM   20  O   UNL     1       6.159   3.434   3.307  1.00  0.00           O  
HETATM   21  P   UNL     1       7.905   1.047  -0.749  1.00  0.00           P  
HETATM   22  O   UNL     1       9.381   0.791  -0.158  1.00  0.00           O  
HETATM   23  O   UNL     1       7.899   0.740  -2.329  1.00  0.00           O  
HETATM   24  O   UNL     1       7.520   2.457  -0.519  1.00  0.00           O  
HETATM   25  P   UNL     1       6.548  -2.808  -2.212  1.00  0.00           P  
HETATM   26  O   UNL     1       7.834  -2.718  -1.247  1.00  0.00           O  
HETATM   27  O   UNL     1       5.767  -4.021  -1.880  1.00  0.00           O  
HETATM   28  O   UNL     1       7.033  -2.884  -3.745  1.00  0.00           O  
HETATM   29  H   UNL     1       2.950  -1.615   1.022  1.00  0.00           H  
HETATM   30  H   UNL     1       2.709   0.737   1.770  1.00  0.00           H  
HETATM   31  H   UNL     1       1.995   1.636  -0.325  1.00  0.00           H  
HETATM   32  H   UNL     1       4.946  -0.333   1.805  1.00  0.00           H  
HETATM   33  H   UNL     1       5.229   0.918  -0.965  1.00  0.00           H  
HETATM   34  H   UNL     1       5.176  -1.993  -0.048  1.00  0.00           H  
HETATM   35  H   UNL     1       3.233  -0.364  -1.748  1.00  0.00           H  
HETATM   36  H   UNL     1       2.045  -2.437  -1.701  1.00  0.00           H  
HETATM   37  H   UNL     1       0.434  -3.410  -0.605  1.00  0.00           H  
HETATM   38  C   UNL     1      -2.387  -1.915   0.987  1.00  0.00           C  
HETATM   39  H   UNL     1       7.929   1.406   2.333  1.00  0.00           H  
HETATM   40  H   UNL     1       6.589   3.608   4.155  1.00  0.00           H  
HETATM   41  H   UNL     1      10.066   1.343  -0.559  1.00  0.00           H  
HETATM   42  H   UNL     1       8.143  -0.169  -2.554  1.00  0.00           H  
HETATM   43  H   UNL     1       8.393  -1.946  -1.408  1.00  0.00           H  
HETATM   44  H   UNL     1       7.593  -3.648  -3.943  1.00  0.00           H  
HETATM   45  C   UNL     1      -3.643  -1.273   0.394  1.00  0.00           C  
HETATM   46  H   UNL     1      -2.388  -2.983   0.770  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.377  -1.763   2.066  1.00  0.00           H  
HETATM   48  C   UNL     1      -4.883  -2.001   0.916  1.00  0.00           C  
HETATM   49  O   UNL     1      -3.703   0.124   0.783  1.00  0.00           O  
HETATM   50  O   UNL     1      -6.067  -1.471   0.263  1.00  0.00           O  
HETATM   51  H   UNL     1      -4.796  -3.066   0.701  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.965  -1.853   1.992  1.00  0.00           H  
HETATM   53  C   UNL     1      -4.306   0.969  -0.068  1.00  0.00           C  
HETATM   54  C   UNL     1      -7.247  -2.007   0.612  1.00  0.00           C  
HETATM   55  O   UNL     1      -4.769   0.554  -1.104  1.00  0.00           O  
HETATM   56  C   UNL     1      -4.406   2.434   0.268  1.00  0.00           C  
HETATM   57  C   UNL     1      -8.519  -1.507  -0.024  1.00  0.00           C  
HETATM   58  O   UNL     1      -7.290  -2.889   1.435  1.00  0.00           O  
HETATM   59  H   UNL     1      -3.609  -1.346  -0.693  1.00  0.00           H  
HETATM   60  C   UNL     1      -5.134   3.168  -0.860  1.00  0.00           C  
HETATM   61  H   UNL     1      -4.961   2.556   1.198  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.405   2.849   0.386  1.00  0.00           H  
HETATM   63  C   UNL     1      -9.711  -2.279   0.545  1.00  0.00           C  
HETATM   64  H   UNL     1      -8.638  -0.445   0.189  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.469  -1.658  -1.103  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.578   3.046  -1.790  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.135   2.753  -0.977  1.00  0.00           H  
HETATM   68  C   UNL     1      -5.235   4.656  -0.518  1.00  0.00           C  
HETATM   69  H   UNL     1      -9.591  -3.341   0.332  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.760  -2.128   1.623  1.00  0.00           H  
HETATM   71  C   UNL     1     -11.002  -1.771  -0.101  1.00  0.00           C  
HETATM   72  H   UNL     1      -4.234   5.071  -0.401  1.00  0.00           H  
HETATM   73  C   UNL     1      -5.963   5.390  -1.646  1.00  0.00           C  
HETATM   74  H   UNL     1      -5.790   4.778   0.412  1.00  0.00           H  
HETATM   75  H   UNL     1     -11.121  -0.709   0.113  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.953  -1.922  -1.179  1.00  0.00           H  
HETATM   77  C   UNL     1     -12.194  -2.543   0.469  1.00  0.00           C  
HETATM   78  C   UNL     1      -6.064   6.878  -1.305  1.00  0.00           C  
HETATM   79  H   UNL     1      -5.407   5.268  -2.576  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.964   4.975  -1.764  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.243  -2.392   1.547  1.00  0.00           H  
HETATM   82  C   UNL     1     -13.485  -2.036  -0.177  1.00  0.00           C  
HETATM   83  H   UNL     1     -12.074  -3.605   0.255  1.00  0.00           H  
HETATM   84  C   UNL     1      -6.792   7.612  -2.433  1.00  0.00           C  
HETATM   85  H   UNL     1      -6.619   7.000  -0.375  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.063   7.293  -1.188  1.00  0.00           H  
HETATM   87  H   UNL     1     -13.605  -0.973   0.036  1.00  0.00           H  
HETATM   88  H   UNL     1     -13.436  -2.187  -1.255  1.00  0.00           H  
HETATM   89  C   UNL     1     -14.677  -2.807   0.392  1.00  0.00           C  
HETATM   90  H   UNL     1      -6.236   7.490  -3.363  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.793   7.197  -2.550  1.00  0.00           H  
HETATM   92  C   UNL     1      -6.893   9.100  -2.091  1.00  0.00           C  
HETATM   93  C   UNL     1     -15.968  -2.300  -0.253  1.00  0.00           C  
HETATM   94  H   UNL     1     -14.558  -3.869   0.179  1.00  0.00           H  
HETATM   95  H   UNL     1     -14.726  -2.656   1.471  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.411   9.623  -2.895  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.448   9.222  -1.161  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.892   9.515  -1.974  1.00  0.00           H  
HETATM   99  H   UNL     1     -16.088  -1.238  -0.040  1.00  0.00           H  
HETATM  100  H   UNL     1     -15.919  -2.451  -1.331  1.00  0.00           H  
HETATM  101  H   UNL     1     -16.818  -2.850   0.152  1.00  0.00           H  
CONECT    1    2    3   11   29                                       
CONECT    2    1   13                                                 
CONECT    3    1    4    5   30                                       
CONECT    4    3   31                                                 
CONECT    5    3    6    7   32                                       
CONECT    6    5   17                                                 
CONECT    7    5    8    9   33                                       
CONECT    8    7   21                                                 
CONECT    9    7   10   11   34                                       
CONECT   10    9   25                                                 
CONECT   11    1    9   12   35                                       
CONECT   12   11   36                                                 
CONECT   13    2   14   14   15                                       
CONECT   13   16                                                      
CONECT   14   13   13                                                 
CONECT   15   13   37                                                 
CONECT   16   13   38                                                 
CONECT   17    6   18   18   19                                       
CONECT   17   20                                                      
CONECT   18   17   17                                                 
CONECT   19   17   39                                                 
CONECT   20   17   40                                                 
CONECT   21    8   22   23   24                                       
CONECT   21   24                                                      
CONECT   22   21   41                                                 
CONECT   23   21   42                                                 
CONECT   24   21   21                                                 
CONECT   25   10   26   27   27                                       
CONECT   25   28                                                      
CONECT   26   25   43                                                 
CONECT   27   25   25                                                 
CONECT   28   25   44                                                 
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   15                                                      
CONECT   38   16   45   46   47                                       
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   26                                                      
CONECT   44   28                                                      
CONECT   45   38   48   49   59                                       
CONECT   46   38                                                      
CONECT   47   38                                                      
CONECT   48   45   50   51   52                                       
CONECT   49   45   53                                                 
CONECT   50   48   54                                                 
CONECT   51   48                                                      
CONECT   52   48                                                      
CONECT   53   49   55   55   56                                       
CONECT   54   50   57   58   58                                       
CONECT   55   53   53                                                 
CONECT   56   53   60   61   62                                       
CONECT   57   54   63   64   65                                       
CONECT   58   54   54                                                 
CONECT   59   45                                                      
CONECT   60   56   66   67   68                                       
CONECT   61   56                                                      
CONECT   62   56                                                      
CONECT   63   57   69   70   71                                       
CONECT   64   57                                                      
CONECT   65   57                                                      
CONECT   66   60                                                      
CONECT   67   60                                                      
CONECT   68   60   72   73   74                                       
CONECT   69   63                                                      
CONECT   70   63                                                      
CONECT   71   63   75   76   77                                       
CONECT   72   68                                                      
CONECT   73   68   78   79   80                                       
CONECT   74   68                                                      
CONECT   75   71                                                      
CONECT   76   71                                                      
CONECT   77   71   81   82   83                                       
CONECT   78   73   84   85   86                                       
CONECT   79   73                                                      
CONECT   80   73                                                      
CONECT   81   77                                                      
CONECT   82   77   87   88   89                                       
CONECT   83   77                                                      
CONECT   84   78   90   91   92                                       
CONECT   85   78                                                      
CONECT   86   78                                                      
CONECT   87   82                                                      
CONECT   88   82                                                      
CONECT   89   82   93   94   95                                       
CONECT   90   84                                                      
CONECT   91   84                                                      
CONECT   92   84   96   97   98                                       
CONECT   93   89   99  100  101                                       
CONECT   94   89                                                      
CONECT   95   89                                                      
CONECT   96   92                                                      
CONECT   97   92                                                      
CONECT   98   92                                                      
CONECT   99   93                                                      
CONECT  100   93                                                      
CONECT  101   93                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
