COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.549   5.866   2.060  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.695   5.739   0.543  1.00  0.00           C  
HETATM    3  C   UNL     1       0.691   5.764  -0.106  1.00  0.00           C  
HETATM    4  C   UNL     1       2.776   4.619   0.023  1.00  0.00           C  
HETATM    5  C   UNL     1       3.697   3.568   0.589  1.00  0.00           C  
HETATM    6  C   UNL     1       5.057   3.655  -0.106  1.00  0.00           C  
HETATM    7  C   UNL     1       5.992   2.588   0.469  1.00  0.00           C  
HETATM    8  C   UNL     1       7.353   2.675  -0.226  1.00  0.00           C  
HETATM    9  C   UNL     1       8.287   1.608   0.349  1.00  0.00           C  
HETATM   10  C   UNL     1       9.648   1.695  -0.346  1.00  0.00           C  
HETATM   11  C   UNL     1      10.582   0.628   0.228  1.00  0.00           C  
HETATM   12  C   UNL     1      11.943   0.715  -0.466  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.696   4.506   0.145  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.451   3.244  -0.182  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.952   3.540  -0.208  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.718   2.258  -0.540  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.219   2.554  -0.567  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.986   1.272  -0.899  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.487   1.568  -0.926  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.253   0.286  -1.258  1.00  0.00           C  
HETATM   21  C   UNL     1     -11.754   0.582  -1.285  1.00  0.00           C  
HETATM   22  C   UNL     1     -12.509  -0.681  -1.612  1.00  0.00           C  
HETATM   23  C   UNL     1     -13.455  -1.104  -0.811  1.00  0.00           C  
HETATM   24  C   UNL     1     -14.210  -2.367  -1.138  1.00  0.00           C  
HETATM   25  C   UNL     1     -14.121  -3.335   0.043  1.00  0.00           C  
HETATM   26  C   UNL     1     -14.888  -4.616  -0.289  1.00  0.00           C  
HETATM   27  C   UNL     1     -14.799  -5.584   0.893  1.00  0.00           C  
HETATM   28  C   UNL     1     -15.566  -6.866   0.561  1.00  0.00           C  
HETATM   29  C   UNL     1     -15.477  -7.834   1.743  1.00  0.00           C  
HETATM   30  C   UNL     1     -16.244  -9.116   1.411  1.00  0.00           C  
HETATM   31  O   UNL     1       3.168   5.360  -0.847  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.356   4.486   0.224  1.00  0.00           O  
HETATM   33  O   UNL     1       1.521   4.730   0.485  1.00  0.00           O  
HETATM   34  O   UNL     1      -3.296   5.537   0.337  1.00  0.00           O  
HETATM   35  O   UNL     1       0.325   4.844   2.543  1.00  0.00           O  
HETATM   36  H   UNL     1      -0.135   6.845   2.305  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.528   5.759   2.529  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.289   6.570   0.163  1.00  0.00           H  
HETATM   39  H   UNL     1       0.594   5.584  -1.177  1.00  0.00           H  
HETATM   40  H   UNL     1       1.151   6.738   0.058  1.00  0.00           H  
HETATM   41  H   UNL     1       3.824   3.735   1.658  1.00  0.00           H  
HETATM   42  H   UNL     1       3.267   2.580   0.423  1.00  0.00           H  
HETATM   43  H   UNL     1       4.930   3.488  -1.176  1.00  0.00           H  
HETATM   44  H   UNL     1       5.488   4.642   0.060  1.00  0.00           H  
HETATM   45  H   UNL     1       6.119   2.755   1.538  1.00  0.00           H  
HETATM   46  H   UNL     1       5.562   1.601   0.303  1.00  0.00           H  
HETATM   47  H   UNL     1       7.226   2.508  -1.296  1.00  0.00           H  
HETATM   48  H   UNL     1       7.783   3.662  -0.061  1.00  0.00           H  
HETATM   49  H   UNL     1       8.414   1.775   1.418  1.00  0.00           H  
HETATM   50  H   UNL     1       7.857   0.621   0.183  1.00  0.00           H  
HETATM   51  H   UNL     1       9.521   1.528  -1.416  1.00  0.00           H  
HETATM   52  H   UNL     1      10.078   2.682  -0.181  1.00  0.00           H  
HETATM   53  H   UNL     1      10.709   0.795   1.298  1.00  0.00           H  
HETATM   54  H   UNL     1      10.152  -0.359   0.063  1.00  0.00           H  
HETATM   55  H   UNL     1      11.816   0.548  -1.536  1.00  0.00           H  
HETATM   56  H   UNL     1      12.373   1.702  -0.301  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.136   2.874  -1.158  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.243   2.489   0.577  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.267   3.909   0.767  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.160   4.294  -0.967  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.403   1.888  -1.516  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.510   1.503   0.218  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.534   2.923   0.408  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.427   3.308  -1.326  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.671   0.902  -1.875  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.778   0.517  -0.141  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.802   1.937   0.049  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.695   2.322  -1.685  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.938  -0.083  -2.234  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.045  -0.469  -0.500  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.069   0.951  -0.309  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.962   1.337  -2.044  1.00  0.00           H  
HETATM   73  H   UNL     1     -12.271  -1.236  -2.507  1.00  0.00           H  
HETATM   74  H   UNL     1     -13.694  -0.549   0.084  1.00  0.00           H  
HETATM   75  H   UNL     1     -15.255  -2.125  -1.332  1.00  0.00           H  
HETATM   76  H   UNL     1     -13.775  -2.832  -2.022  1.00  0.00           H  
HETATM   77  H   UNL     1     -13.076  -3.576   0.237  1.00  0.00           H  
HETATM   78  H   UNL     1     -14.557  -2.869   0.928  1.00  0.00           H  
HETATM   79  H   UNL     1     -15.933  -4.375  -0.482  1.00  0.00           H  
HETATM   80  H   UNL     1     -14.452  -5.082  -1.173  1.00  0.00           H  
HETATM   81  H   UNL     1     -13.754  -5.826   1.087  1.00  0.00           H  
HETATM   82  H   UNL     1     -15.235  -5.119   1.777  1.00  0.00           H  
HETATM   83  H   UNL     1     -16.611  -6.625   0.367  1.00  0.00           H  
HETATM   84  H   UNL     1     -15.130  -7.331  -0.323  1.00  0.00           H  
HETATM   85  H   UNL     1     -14.432  -8.076   1.937  1.00  0.00           H  
HETATM   86  H   UNL     1     -15.913  -7.369   2.627  1.00  0.00           H  
HETATM   87  H   UNL     1     -16.180  -9.806   2.253  1.00  0.00           H  
HETATM   88  H   UNL     1     -17.289  -8.874   1.217  1.00  0.00           H  
HETATM   89  H   UNL     1     -15.808  -9.581   0.526  1.00  0.00           H  
HETATM   90  H   UNL     1       0.463   4.865   3.500  1.00  0.00           H  
HETATM   91  C   UNL     1      12.863  -0.336   0.100  1.00  0.00           C  
HETATM   92  C   UNL     1      13.446  -1.195  -0.699  1.00  0.00           C  
HETATM   93  C   UNL     1      14.366  -2.246  -0.133  1.00  0.00           C  
HETATM   94  C   UNL     1      13.895  -3.631  -0.579  1.00  0.00           C  
HETATM   95  C   UNL     1      14.829  -4.697  -0.004  1.00  0.00           C  
HETATM   96  C   UNL     1      14.358  -6.083  -0.451  1.00  0.00           C  
HETATM   97  C   UNL     1      15.292  -7.149   0.124  1.00  0.00           C  
HETATM   98  C   UNL     1      14.821  -8.535  -0.322  1.00  0.00           C  
HETATM   99  C   UNL     1      15.755  -9.601   0.253  1.00  0.00           C  
HETATM  100  H   UNL     1      13.043  -0.380   1.164  1.00  0.00           H  
HETATM  101  H   UNL     1      13.266  -1.151  -1.763  1.00  0.00           H  
HETATM  102  H   UNL     1      15.380  -2.073  -0.495  1.00  0.00           H  
HETATM  103  H   UNL     1      14.355  -2.191   0.955  1.00  0.00           H  
HETATM  104  H   UNL     1      12.881  -3.804  -0.218  1.00  0.00           H  
HETATM  105  H   UNL     1      13.907  -3.686  -1.668  1.00  0.00           H  
HETATM  106  H   UNL     1      15.843  -4.525  -0.366  1.00  0.00           H  
HETATM  107  H   UNL     1      14.818  -4.643   1.084  1.00  0.00           H  
HETATM  108  H   UNL     1      13.344  -6.255  -0.089  1.00  0.00           H  
HETATM  109  H   UNL     1      14.370  -6.138  -1.539  1.00  0.00           H  
HETATM  110  H   UNL     1      16.306  -6.977  -0.237  1.00  0.00           H  
HETATM  111  H   UNL     1      15.281  -7.094   1.213  1.00  0.00           H  
HETATM  112  H   UNL     1      13.807  -8.707   0.040  1.00  0.00           H  
HETATM  113  H   UNL     1      14.833  -8.590  -1.411  1.00  0.00           H  
HETATM  114  H   UNL     1      15.420 -10.588  -0.065  1.00  0.00           H  
HETATM  115  H   UNL     1      16.769  -9.429  -0.109  1.00  0.00           H  
HETATM  116  H   UNL     1      15.744  -9.546   1.341  1.00  0.00           H  
CONECT    1    2   35   36   37                                       
CONECT    2    3   32    1   38                                       
CONECT    3   33    2   39   40                                       
CONECT    4    5   31   31   33                                       
CONECT    5    6    4   41   42                                       
CONECT    6    7    5   43   44                                       
CONECT    7    8    6   45   46                                       
CONECT    8    9    7   47   48                                       
CONECT    9   10    8   49   50                                       
CONECT   10   11    9   51   52                                       
CONECT   11   12   10   53   54                                       
CONECT   12   11   55   56   91                                       
CONECT   13   14   34   34   32                                       
CONECT   14   15   13   57   58                                       
CONECT   15   16   14   59   60                                       
CONECT   16   17   15   61   62                                       
CONECT   17   18   16   63   64                                       
CONECT   18   19   17   65   66                                       
CONECT   19   20   18   67   68                                       
CONECT   20   21   19   69   70                                       
CONECT   21   22   20   71   72                                       
CONECT   22   23   23   21   73                                       
CONECT   23   24   22   22   74                                       
CONECT   24   25   23   75   76                                       
CONECT   25   26   24   77   78                                       
CONECT   26   27   25   79   80                                       
CONECT   27   28   26   81   82                                       
CONECT   28   29   27   83   84                                       
CONECT   29   30   28   85   86                                       
CONECT   30   29   87   88   89                                       
CONECT   31    4    4                                                 
CONECT   32   13    2                                                 
CONECT   33    4    3                                                 
CONECT   34   13   13                                                 
CONECT   35    1   90                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   29                                                      
CONECT   87   30                                                      
CONECT   88   30                                                      
CONECT   89   30                                                      
CONECT   90   35                                                      
CONECT   91   12   92   92  100                                       
CONECT   92   91   91   93  101                                       
CONECT   93   92   94  102  103                                       
CONECT   94   93   95  104  105                                       
CONECT   95   94   96  106  107                                       
CONECT   96   95   97  108  109                                       
CONECT   97   96   98  110  111                                       
CONECT   98   97   99  112  113                                       
CONECT   99   98  114  115  116                                       
CONECT  100   91                                                      
CONECT  101   92                                                      
CONECT  102   93                                                      
CONECT  103   93                                                      
CONECT  104   94                                                      
CONECT  105   94                                                      
CONECT  106   95                                                      
CONECT  107   95                                                      
CONECT  108   96                                                      
CONECT  109   96                                                      
CONECT  110   97                                                      
CONECT  111   97                                                      
CONECT  112   98                                                      
CONECT  113   98                                                      
CONECT  114   99                                                      
CONECT  115   99                                                      
CONECT  116   99                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
