COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.119  12.757  -3.398  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.652  14.057  -2.727  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.616  14.793  -1.891  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.391  15.131  -2.731  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.926  14.025  -3.660  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.684  12.937  -3.946  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.187  11.849  -4.772  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.440  12.038  -5.870  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.923  10.912  -6.735  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.381  10.859  -6.758  1.00  0.00           C  
HETATM   11  C   UNL     1       0.289  10.592  -5.404  1.00  0.00           C  
HETATM   12  C   UNL     1       1.813  10.503  -5.551  1.00  0.00           C  
HETATM   13  C   UNL     1       2.587  10.302  -4.229  1.00  0.00           C  
HETATM   14  C   UNL     1       2.360   8.933  -3.555  1.00  0.00           C  
HETATM   15  C   UNL     1       2.625   7.740  -4.478  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.124  12.427  -4.532  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.150  11.594  -2.379  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.543  14.300  -4.206  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.523  11.011  -8.139  1.00  0.00           C  
HETATM   20  C   UNL     1       2.274  11.423  -3.232  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.216  14.027  -0.762  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.740   6.438 -10.505  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.284   5.746 -11.810  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.863   6.132 -12.231  1.00  0.00           C  
HETATM   25  C   UNL     1       0.091   6.285 -11.083  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.276   6.281  -9.788  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.727   6.096  -9.355  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.898   4.678  -8.785  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.956   4.435  -7.602  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.111   3.033  -6.980  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.060   2.781  -5.874  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.169   3.696  -4.650  1.00  0.00           C  
HETATM   33  C   UNL     1       0.919   3.456  -3.592  1.00  0.00           C  
HETATM   34  C   UNL     1       2.377   3.813  -3.956  1.00  0.00           C  
HETATM   35  C   UNL     1       2.590   5.180  -4.634  1.00  0.00           C  
HETATM   36  C   UNL     1       2.358   6.416  -3.758  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.801   7.972 -10.708  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.174   5.975 -10.174  1.00  0.00           C  
HETATM   39  C   UNL     1       0.738   6.499  -8.699  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.533   2.780  -6.472  1.00  0.00           C  
HETATM   41  C   UNL     1       3.313   3.688  -2.748  1.00  0.00           C  
HETATM   42  O   UNL     1      -0.381   5.135 -13.129  1.00  0.00           O  
HETATM   43  H   UNL     1      -6.518  13.806  -2.101  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.015  14.745  -3.503  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.051  15.719  -1.498  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.565  15.398  -2.059  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.610  16.011  -3.349  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.452  10.845  -4.453  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.187  13.052  -6.173  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.262   9.956  -6.312  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.003  11.809  -7.157  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.068  10.082  -7.469  1.00  0.00           H  
HETATM   53  H   UNL     1       0.036  11.392  -4.701  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.096   9.656  -4.989  1.00  0.00           H  
HETATM   55  H   UNL     1       2.062   9.684  -6.236  1.00  0.00           H  
HETATM   56  H   UNL     1       2.178  11.416  -6.039  1.00  0.00           H  
HETATM   57  H   UNL     1       3.655  10.380  -4.472  1.00  0.00           H  
HETATM   58  H   UNL     1       3.026   8.855  -2.685  1.00  0.00           H  
HETATM   59  H   UNL     1       1.339   8.874  -3.158  1.00  0.00           H  
HETATM   60  H   UNL     1       3.663   7.771  -4.830  1.00  0.00           H  
HETATM   61  H   UNL     1       1.979   7.803  -5.358  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.522  13.347  -4.972  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.637  11.849  -5.322  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.963  11.842  -4.143  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.747  11.917  -1.415  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.176  11.246  -2.224  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.551  10.752  -2.738  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.598  14.360  -5.287  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.881  13.495  -3.909  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.184  15.238  -3.798  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.614  10.909  -8.101  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.138  10.214  -8.783  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.301  11.972  -8.616  1.00  0.00           H  
HETATM   74  H   UNL     1       1.236  11.380  -2.886  1.00  0.00           H  
HETATM   75  H   UNL     1       2.922  11.348  -2.352  1.00  0.00           H  
HETATM   76  H   UNL     1       2.443  12.406  -3.684  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.436  14.553   0.022  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.975   5.980 -12.631  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.347   4.656 -11.687  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.888   7.078 -12.784  1.00  0.00           H  
HETATM   81  H   UNL     1       1.137   6.445 -11.335  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.926   6.795  -8.530  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.940   4.549  -8.475  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.698   3.947  -9.577  1.00  0.00           H  
HETATM   85  H   UNL     1       0.079   4.559  -7.946  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.132   5.207  -6.843  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.912   2.292  -7.766  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.143   1.736  -5.549  1.00  0.00           H  
HETATM   89  H   UNL     1       0.930   2.886  -6.325  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.189   4.746  -4.953  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.132   3.504  -4.162  1.00  0.00           H  
HETATM   92  H   UNL     1       0.861   2.424  -3.227  1.00  0.00           H  
HETATM   93  H   UNL     1       0.655   4.078  -2.725  1.00  0.00           H  
HETATM   94  H   UNL     1       2.707   3.045  -4.668  1.00  0.00           H  
HETATM   95  H   UNL     1       1.910   5.246  -5.495  1.00  0.00           H  
HETATM   96  H   UNL     1       3.599   5.232  -5.057  1.00  0.00           H  
HETATM   97  H   UNL     1       3.019   6.342  -2.885  1.00  0.00           H  
HETATM   98  H   UNL     1       1.335   6.414  -3.367  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.800   8.377 -10.882  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.428   8.222 -11.569  1.00  0.00           H  
HETATM  101  H   UNL     1      -3.221   8.460  -9.823  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.906   6.698 -10.547  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.381   5.005 -10.636  1.00  0.00           H  
HETATM  104  H   UNL     1      -4.306   5.877  -9.093  1.00  0.00           H  
HETATM  105  H   UNL     1       0.957   7.560  -8.620  1.00  0.00           H  
HETATM  106  H   UNL     1       1.646   5.952  -8.939  1.00  0.00           H  
HETATM  107  H   UNL     1       0.336   6.135  -7.757  1.00  0.00           H  
HETATM  108  H   UNL     1      -2.593   1.827  -5.936  1.00  0.00           H  
HETATM  109  H   UNL     1      -3.242   2.726  -7.305  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.872   3.574  -5.798  1.00  0.00           H  
HETATM  111  H   UNL     1       3.170   2.729  -2.238  1.00  0.00           H  
HETATM  112  H   UNL     1       3.153   4.492  -2.022  1.00  0.00           H  
HETATM  113  H   UNL     1       4.360   3.740  -3.068  1.00  0.00           H  
HETATM  114  H   UNL     1      -0.187   4.351 -12.592  1.00  0.00           H  
CONECT    1    2    6   16   17                                       
CONECT    2    1    3   43   44                                       
CONECT    3    2    4   21   45                                       
CONECT    4    3    5   46   47                                       
CONECT    5    4    6    6   18                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8    8   48                                       
CONECT    8    7    7    9   49                                       
CONECT    9    8   10   19   50                                       
CONECT   10    9   11   51   52                                       
CONECT   11   10   12   53   54                                       
CONECT   12   11   13   55   56                                       
CONECT   13   12   14   20   57                                       
CONECT   14   13   15   58   59                                       
CONECT   15   14   36   60   61                                       
CONECT   16    1   62   63   64                                       
CONECT   17    1   65   66   67                                       
CONECT   18    5   68   69   70                                       
CONECT   19    9   71   72   73                                       
CONECT   20   13   74   75   76                                       
CONECT   21    3   77                                                 
CONECT   22   23   27   37   38                                       
CONECT   23   22   24   78   79                                       
CONECT   24   23   25   42   80                                       
CONECT   25   24   26   26   81                                       
CONECT   26   25   25   27   39                                       
CONECT   27   22   26   28   82                                       
CONECT   28   27   29   83   84                                       
CONECT   29   28   30   85   86                                       
CONECT   30   29   31   40   87                                       
CONECT   31   30   32   88   89                                       
CONECT   32   31   33   90   91                                       
CONECT   33   32   34   92   93                                       
CONECT   34   33   35   41   94                                       
CONECT   35   34   36   95   96                                       
CONECT   36   15   35   97   98                                       
CONECT   37   22   99  100  101                                       
CONECT   38   22  102  103  104                                       
CONECT   39   26  105  106  107                                       
CONECT   40   30  108  109  110                                       
CONECT   41   34  111  112  113                                       
CONECT   42   24  114                                                 
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   23                                                      
CONECT   79   23                                                      
CONECT   80   24                                                      
CONECT   81   25                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   29                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   32                                                      
CONECT   91   32                                                      
CONECT   92   33                                                      
CONECT   93   33                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   35                                                      
CONECT   97   36                                                      
CONECT   98   36                                                      
CONECT   99   37                                                      
CONECT  100   37                                                      
CONECT  101   37                                                      
CONECT  102   38                                                      
CONECT  103   38                                                      
CONECT  104   38                                                      
CONECT  105   39                                                      
CONECT  106   39                                                      
CONECT  107   39                                                      
CONECT  108   40                                                      
CONECT  109   40                                                      
CONECT  110   40                                                      
CONECT  111   41                                                      
CONECT  112   41                                                      
CONECT  113   41                                                      
CONECT  114   42                                                      
MASTER        0    0    0    0    0    0    0    0  114    0  114    0
END
