COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -11.259  -0.372   0.269  1.00  0.00           C  
HETATM    2  C   UNL     1     -12.247   1.781   1.545  1.00  0.00           C  
HETATM    3  C   UNL     1     -12.892   2.608  -0.722  1.00  0.00           C  
HETATM    4  O   UNL     1     -16.701   1.031  -0.384  1.00  0.00           O  
HETATM    5  C   UNL     1     -13.488  -0.829  -0.965  1.00  0.00           C  
HETATM    6  C   UNL     1     -15.298   0.866  -0.600  1.00  0.00           C  
HETATM    7  C   UNL     1     -13.050  -2.295  -0.945  1.00  0.00           C  
HETATM    8  C   UNL     1     -14.529   1.314   0.648  1.00  0.00           C  
HETATM    9  O   UNL     1      14.957   1.825  -0.592  1.00  0.00           O  
HETATM   10  C   UNL     1     -14.989  -0.609  -0.860  1.00  0.00           C  
HETATM   11  O   UNL     1      10.938   2.106  -0.362  1.00  0.00           O  
HETATM   12  C   UNL     1     -13.052   1.464   0.283  1.00  0.00           C  
HETATM   13  C   UNL     1     -12.529   0.169  -0.335  1.00  0.00           C  
HETATM   14  O   UNL     1     -12.690   0.056  -1.740  1.00  0.00           O  
HETATM   15  C   UNL     1     -10.071   0.038  -0.192  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.878  -0.471   0.375  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.946  -1.474   1.498  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.669  -0.054  -0.094  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.488  -0.558   0.468  1.00  0.00           C  
HETATM   20  C   UNL     1      10.903  -0.894  -1.137  1.00  0.00           C  
HETATM   21  C   UNL     1      10.914   1.043   0.593  1.00  0.00           C  
HETATM   22  C   UNL     1      12.339  -1.219  -0.712  1.00  0.00           C  
HETATM   23  C   UNL     1      13.043   0.068  -0.278  1.00  0.00           C  
HETATM   24  C   UNL     1      12.350   0.648   0.955  1.00  0.00           C  
HETATM   25  C   UNL     1      10.216  -0.163  -0.004  1.00  0.00           C  
HETATM   26  C   UNL     1      10.151  -2.191  -1.442  1.00  0.00           C  
HETATM   27  C   UNL     1      10.923  -0.007  -2.383  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.262  -0.135  -0.007  1.00  0.00           C  
HETATM   29  C   UNL     1      10.169   1.498   1.850  1.00  0.00           C  
HETATM   30  C   UNL     1       9.056  -0.563   0.445  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.087  -0.637   0.552  1.00  0.00           C  
HETATM   32  C   UNL     1      15.322   0.757  -0.162  1.00  0.00           C  
HETATM   33  C   UNL     1       7.896  -0.963   0.896  1.00  0.00           C  
HETATM   34  O   UNL     1      14.429  -0.225   0.041  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.154  -1.640   1.675  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.857  -0.213   0.075  1.00  0.00           C  
HETATM   37  C   UNL     1      16.779   0.526   0.146  1.00  0.00           C  
HETATM   38  C   UNL     1       6.767  -0.482   0.359  1.00  0.00           C  
HETATM   39  C   UNL     1       6.835   0.521  -0.764  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.685  -0.712   0.632  1.00  0.00           C  
HETATM   41  C   UNL     1       5.511  -0.915   0.846  1.00  0.00           C  
HETATM   42  C   UNL     1       4.363  -0.426   0.300  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.451  -0.287   0.154  1.00  0.00           C  
HETATM   44  C   UNL     1       3.119  -0.854   0.783  1.00  0.00           C  
HETATM   45  C   UNL     1       0.717  -0.785   0.709  1.00  0.00           C  
HETATM   46  C   UNL     1       1.955  -0.358   0.229  1.00  0.00           C  
HETATM   47  C   UNL     1       2.023   0.645  -0.894  1.00  0.00           C  
HETATM   48  H   UNL     1     -11.307  -1.088   1.077  1.00  0.00           H  
HETATM   49  H   UNL     1     -12.613   2.708   1.986  1.00  0.00           H  
HETATM   50  H   UNL     1     -12.360   0.968   2.261  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.194   1.894   1.285  1.00  0.00           H  
HETATM   52  H   UNL     1     -13.253   3.535  -0.277  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.839   2.716  -0.983  1.00  0.00           H  
HETATM   54  H   UNL     1     -13.468   2.386  -1.620  1.00  0.00           H  
HETATM   55  H   UNL     1     -17.249   0.754  -1.131  1.00  0.00           H  
HETATM   56  H   UNL     1     -14.987   1.462  -1.458  1.00  0.00           H  
HETATM   57  H   UNL     1     -13.800  -2.905  -1.449  1.00  0.00           H  
HETATM   58  H   UNL     1     -12.094  -2.395  -1.458  1.00  0.00           H  
HETATM   59  H   UNL     1     -12.945  -2.628   0.088  1.00  0.00           H  
HETATM   60  H   UNL     1     -14.919   2.271   0.994  1.00  0.00           H  
HETATM   61  H   UNL     1     -14.641   0.568   1.434  1.00  0.00           H  
HETATM   62  H   UNL     1     -15.464  -0.916  -1.792  1.00  0.00           H  
HETATM   63  H   UNL     1     -15.384  -1.209  -0.040  1.00  0.00           H  
HETATM   64  H   UNL     1      11.372   2.910  -0.044  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.023   0.756  -0.997  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.963  -2.482   1.084  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.072  -1.360   2.140  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.851  -1.306   2.082  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.621   0.665  -0.898  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.536  -1.277   1.273  1.00  0.00           H  
HETATM   71  H   UNL     1      12.321  -1.922   0.120  1.00  0.00           H  
HETATM   72  H   UNL     1      12.874  -1.662  -1.551  1.00  0.00           H  
HETATM   73  H   UNL     1      13.005   0.794  -1.091  1.00  0.00           H  
HETATM   74  H   UNL     1      12.894   1.529   1.298  1.00  0.00           H  
HETATM   75  H   UNL     1      12.332  -0.099   1.748  1.00  0.00           H  
HETATM   76  H   UNL     1      10.652  -2.719  -2.253  1.00  0.00           H  
HETATM   77  H   UNL     1      10.138  -2.821  -0.552  1.00  0.00           H  
HETATM   78  H   UNL     1       9.128  -1.958  -1.737  1.00  0.00           H  
HETATM   79  H   UNL     1       9.901   0.228  -2.679  1.00  0.00           H  
HETATM   80  H   UNL     1      11.459   0.916  -2.163  1.00  0.00           H  
HETATM   81  H   UNL     1      11.425  -0.533  -3.195  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.214   0.584  -0.812  1.00  0.00           H  
HETATM   83  H   UNL     1       9.147   1.772   1.587  1.00  0.00           H  
HETATM   84  H   UNL     1      10.152   0.686   2.576  1.00  0.00           H  
HETATM   85  H   UNL     1      10.677   2.361   2.281  1.00  0.00           H  
HETATM   86  H   UNL     1       7.847  -1.682   1.700  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.172  -2.648   1.261  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.280  -1.526   2.317  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.059  -1.471   2.259  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.808   0.506  -0.730  1.00  0.00           H  
HETATM   91  H   UNL     1      17.346   1.429  -0.080  1.00  0.00           H  
HETATM   92  H   UNL     1      16.892   0.280   1.202  1.00  0.00           H  
HETATM   93  H   UNL     1      17.152  -0.299  -0.461  1.00  0.00           H  
HETATM   94  H   UNL     1       6.850  -0.004  -1.719  1.00  0.00           H  
HETATM   95  H   UNL     1       5.963   1.173  -0.721  1.00  0.00           H  
HETATM   96  H   UNL     1       7.741   1.118  -0.663  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.733  -1.431   1.437  1.00  0.00           H  
HETATM   98  H   UNL     1       5.463  -1.634   1.651  1.00  0.00           H  
HETATM   99  H   UNL     1       4.411   0.293  -0.504  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.403   0.432  -0.651  1.00  0.00           H  
HETATM  101  H   UNL     1       3.071  -1.573   1.587  1.00  0.00           H  
HETATM  102  H   UNL     1       0.669  -1.504   1.514  1.00  0.00           H  
HETATM  103  H   UNL     1       2.038   0.120  -1.849  1.00  0.00           H  
HETATM  104  H   UNL     1       1.151   1.297  -0.851  1.00  0.00           H  
HETATM  105  H   UNL     1       2.929   1.242  -0.793  1.00  0.00           H  
CONECT    1   15   15   13   48                                       
CONECT    2   12   49   50   51                                       
CONECT    3   12   52   53   54                                       
CONECT    4    6   55                                                 
CONECT    5   14   13    7   10                                       
CONECT    6   10    4    8   56                                       
CONECT    7    5   57   58   59                                       
CONECT    8    6   12   60   61                                       
CONECT    9   32   32                                                 
CONECT   10    5    6   62   63                                       
CONECT   11   21   64                                                 
CONECT   12    3   13    8    2                                       
CONECT   13   14    1    5   12                                       
CONECT   14   13    5                                                 
CONECT   15   16    1    1   65                                       
CONECT   16   18   18   15   17                                       
CONECT   17   16   66   67   68                                       
CONECT   18   19   16   16   69                                       
CONECT   19   28   28   18   70                                       
CONECT   20   22   27   26   25                                       
CONECT   21   24   11   25   29                                       
CONECT   22   23   20   71   72                                       
CONECT   23   34   22   24   73                                       
CONECT   24   23   21   74   75                                       
CONECT   25   20   21   30   30                                       
CONECT   26   20   76   77   78                                       
CONECT   27   20   79   80   81                                       
CONECT   28   31   19   19   82                                       
CONECT   29   21   83   84   85                                       
CONECT   30   25   25   33   33                                       
CONECT   31   36   36   28   35                                       
CONECT   32   37    9    9   34                                       
CONECT   33   30   30   38   86                                       
CONECT   34   32   23                                                 
CONECT   35   31   87   88   89                                       
CONECT   36   40   31   31   90                                       
CONECT   37   32   91   92   93                                       
CONECT   38   39   33   41   41                                       
CONECT   39   38   94   95   96                                       
CONECT   40   43   43   36   97                                       
CONECT   41   38   38   42   98                                       
CONECT   42   41   44   44   99                                       
CONECT   43   45   40   40  100                                       
CONECT   44   42   42   46  101                                       
CONECT   45   46   46   43  102                                       
CONECT   46   47   44   45   45                                       
CONECT   47   46  103  104  105                                       
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62   10                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   15                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   29                                                      
CONECT   86   33                                                      
CONECT   87   35                                                      
CONECT   88   35                                                      
CONECT   89   35                                                      
CONECT   90   36                                                      
CONECT   91   37                                                      
CONECT   92   37                                                      
CONECT   93   37                                                      
CONECT   94   39                                                      
CONECT   95   39                                                      
CONECT   96   39                                                      
CONECT   97   40                                                      
CONECT   98   41                                                      
CONECT   99   42                                                      
CONECT  100   43                                                      
CONECT  101   44                                                      
CONECT  102   45                                                      
CONECT  103   47                                                      
CONECT  104   47                                                      
CONECT  105   47                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END
