COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      16.549  -2.697   0.737  1.00  0.00           C  
HETATM    2  C   UNL     1      15.201  -2.421   0.068  1.00  0.00           C  
HETATM    3  C   UNL     1      14.333  -1.571   0.998  1.00  0.00           C  
HETATM    4  C   UNL     1      12.986  -1.295   0.329  1.00  0.00           C  
HETATM    5  C   UNL     1      12.118  -0.445   1.260  1.00  0.00           C  
HETATM    6  C   UNL     1      10.771  -0.169   0.590  1.00  0.00           C  
HETATM    7  C   UNL     1       9.903   0.681   1.521  1.00  0.00           C  
HETATM    8  C   UNL     1       8.556   0.957   0.851  1.00  0.00           C  
HETATM    9  C   UNL     1       7.688   1.807   1.782  1.00  0.00           C  
HETATM   10  C   UNL     1       6.341   2.083   1.112  1.00  0.00           C  
HETATM   11  C   UNL     1       5.473   2.933   2.043  1.00  0.00           C  
HETATM   12  C   UNL     1       4.175   3.310   1.327  1.00  0.00           C  
HETATM   13  C   UNL     1       3.361   4.258   2.211  1.00  0.00           C  
HETATM   14  C   UNL     1       2.031   4.534   1.560  1.00  0.00           C  
HETATM   15  C   UNL     1       0.920   4.261   2.198  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.407   4.425   1.503  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.191   4.846   0.155  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.154   3.090   1.508  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.377   2.069   0.674  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.999   0.787   0.790  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.287  -0.266   0.138  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.371  -0.093  -1.278  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.901  -1.613   0.523  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.766  -1.814   1.932  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.171  -2.732  -0.226  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.786  -3.987   0.072  1.00  0.00           O  
HETATM   27  S   UNL     1      -0.118  -4.751   1.206  1.00  0.00           S  
HETATM   28  O   UNL     1      -0.718  -6.038   1.232  1.00  0.00           O  
HETATM   29  O   UNL     1       1.281  -4.548   1.057  1.00  0.00           O  
HETATM   30  O   UNL     1      -0.515  -4.065   2.506  1.00  0.00           O  
HETATM   31  C   UNL     1      -0.257  -2.464  -1.732  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.624  -2.499  -2.146  1.00  0.00           O  
HETATM   33  C   UNL     1       0.333  -1.083  -2.030  1.00  0.00           C  
HETATM   34  C   UNL     1       0.197  -0.782  -3.524  1.00  0.00           C  
HETATM   35  O   UNL     1       0.859   0.448  -3.825  1.00  0.00           O  
HETATM   36  S   UNL     1       0.683   0.910  -5.264  1.00  0.00           S  
HETATM   37  O   UNL     1       0.754  -0.257  -6.072  1.00  0.00           O  
HETATM   38  O   UNL     1      -0.738   1.438  -5.397  1.00  0.00           O  
HETATM   39  O   UNL     1       1.544   2.028  -5.435  1.00  0.00           O  
HETATM   40  N   UNL     1      -2.489   3.275   0.934  1.00  0.00           N  
HETATM   41  C   UNL     1      -3.489   2.434   1.268  1.00  0.00           C  
HETATM   42  O   UNL     1      -3.283   1.525   2.044  1.00  0.00           O  
HETATM   43  C   UNL     1      -4.862   2.625   0.677  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.803   1.546   1.217  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.197   1.738   0.617  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.138   0.659   1.156  1.00  0.00           C  
HETATM   47  C   UNL     1      -9.533   0.852   0.557  1.00  0.00           C  
HETATM   48  C   UNL     1     -10.474  -0.227   1.096  1.00  0.00           C  
HETATM   49  C   UNL     1     -11.868  -0.034   0.497  1.00  0.00           C  
HETATM   50  C   UNL     1     -12.809  -1.113   1.036  1.00  0.00           C  
HETATM   51  C   UNL     1     -14.203  -0.920   0.437  1.00  0.00           C  
HETATM   52  C   UNL     1     -15.144  -1.999   0.976  1.00  0.00           C  
HETATM   53  C   UNL     1     -16.538  -1.806   0.377  1.00  0.00           C  
HETATM   54  H   UNL     1      17.053  -1.753   0.942  1.00  0.00           H  
HETATM   55  H   UNL     1      16.386  -3.233   1.673  1.00  0.00           H  
HETATM   56  H   UNL     1      17.166  -3.303   0.074  1.00  0.00           H  
HETATM   57  H   UNL     1      15.363  -1.885  -0.868  1.00  0.00           H  
HETATM   58  H   UNL     1      14.696  -3.365  -0.137  1.00  0.00           H  
HETATM   59  H   UNL     1      14.171  -2.106   1.934  1.00  0.00           H  
HETATM   60  H   UNL     1      14.838  -0.627   1.203  1.00  0.00           H  
HETATM   61  H   UNL     1      13.148  -0.759  -0.607  1.00  0.00           H  
HETATM   62  H   UNL     1      12.481  -2.239   0.124  1.00  0.00           H  
HETATM   63  H   UNL     1      11.956  -0.980   2.195  1.00  0.00           H  
HETATM   64  H   UNL     1      12.623   0.500   1.464  1.00  0.00           H  
HETATM   65  H   UNL     1      10.933   0.367  -0.345  1.00  0.00           H  
HETATM   66  H   UNL     1      10.267  -1.113   0.385  1.00  0.00           H  
HETATM   67  H   UNL     1       9.741   0.146   2.456  1.00  0.00           H  
HETATM   68  H   UNL     1      10.408   1.626   1.725  1.00  0.00           H  
HETATM   69  H   UNL     1       8.718   1.493  -0.084  1.00  0.00           H  
HETATM   70  H   UNL     1       8.052   0.013   0.646  1.00  0.00           H  
HETATM   71  H   UNL     1       7.526   1.272   2.717  1.00  0.00           H  
HETATM   72  H   UNL     1       8.193   2.752   1.986  1.00  0.00           H  
HETATM   73  H   UNL     1       6.503   2.619   0.177  1.00  0.00           H  
HETATM   74  H   UNL     1       5.837   1.139   0.907  1.00  0.00           H  
HETATM   75  H   UNL     1       5.240   2.364   2.943  1.00  0.00           H  
HETATM   76  H   UNL     1       6.014   3.840   2.316  1.00  0.00           H  
HETATM   77  H   UNL     1       4.409   3.804   0.384  1.00  0.00           H  
HETATM   78  H   UNL     1       3.594   2.409   1.130  1.00  0.00           H  
HETATM   79  H   UNL     1       3.200   3.797   3.185  1.00  0.00           H  
HETATM   80  H   UNL     1       3.906   5.193   2.337  1.00  0.00           H  
HETATM   81  H   UNL     1       1.993   4.958   0.567  1.00  0.00           H  
HETATM   82  H   UNL     1       0.955   3.918   3.221  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.001   5.175   2.027  1.00  0.00           H  
HETATM   84  H   UNL     1       0.275   4.196  -0.390  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.246   2.728   2.532  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.375   2.379  -0.371  1.00  0.00           H  
HETATM   87  H   UNL     1       0.649   2.009   1.037  1.00  0.00           H  
HETATM   88  H   UNL     1       0.759  -0.242   0.445  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.957  -1.623   0.253  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.206  -1.141   2.469  1.00  0.00           H  
HETATM   91  H   UNL     1       0.874  -2.755   0.082  1.00  0.00           H  
HETATM   92  H   UNL     1       0.308  -3.225  -2.270  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.753  -2.336  -3.090  1.00  0.00           H  
HETATM   94  H   UNL     1       1.387  -1.070  -1.751  1.00  0.00           H  
HETATM   95  H   UNL     1       0.650  -1.589  -4.100  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.859  -0.700  -3.783  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.654   4.002   0.313  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.242   3.609   0.951  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.804   2.547  -0.408  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.422   0.562   0.942  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.860   1.623   2.302  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.578   2.723   0.891  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.140   1.661  -0.469  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.758  -0.325   0.882  1.00  0.00           H  
HETATM  105  H   UNL     1      -8.196   0.737   2.242  1.00  0.00           H  
HETATM  106  H   UNL     1      -9.913   1.836   0.831  1.00  0.00           H  
HETATM  107  H   UNL     1      -9.475   0.775  -0.529  1.00  0.00           H  
HETATM  108  H   UNL     1     -10.093  -1.211   0.822  1.00  0.00           H  
HETATM  109  H   UNL     1     -10.531  -0.149   2.182  1.00  0.00           H  
HETATM  110  H   UNL     1     -12.248   0.950   0.771  1.00  0.00           H  
HETATM  111  H   UNL     1     -11.810  -0.111  -0.589  1.00  0.00           H  
HETATM  112  H   UNL     1     -12.428  -2.097   0.762  1.00  0.00           H  
HETATM  113  H   UNL     1     -12.866  -1.035   2.122  1.00  0.00           H  
HETATM  114  H   UNL     1     -14.583   0.064   0.711  1.00  0.00           H  
HETATM  115  H   UNL     1     -14.146  -0.997  -0.649  1.00  0.00           H  
HETATM  116  H   UNL     1     -14.764  -2.983   0.702  1.00  0.00           H  
HETATM  117  H   UNL     1     -15.201  -1.921   2.062  1.00  0.00           H  
HETATM  118  H   UNL     1     -16.919  -0.822   0.651  1.00  0.00           H  
HETATM  119  H   UNL     1     -16.481  -1.883  -0.709  1.00  0.00           H  
HETATM  120  H   UNL     1     -17.209  -2.575   0.761  1.00  0.00           H  
HETATM  121  H   UNL     1      -0.140  -4.475   3.297  1.00  0.00           H  
HETATM  122  H   UNL     1      -0.933   1.830  -6.259  1.00  0.00           H  
CONECT    1    2   54   55   56                                       
CONECT    2    1    3   57   58                                       
CONECT    3    4    2   59   60                                       
CONECT    4    3    5   61   62                                       
CONECT    5    4    6   63   64                                       
CONECT    6    5    7   65   66                                       
CONECT    7    6    8   67   68                                       
CONECT    8    7    9   69   70                                       
CONECT    9    8   10   71   72                                       
CONECT   10    9   11   73   74                                       
CONECT   11   10   12   75   76                                       
CONECT   12   11   13   77   78                                       
CONECT   13   12   14   79   80                                       
CONECT   14   13   15   15   81                                       
CONECT   15   14   14   16   82                                       
CONECT   16   17   15   18   83                                       
CONECT   17   16   84                                                 
CONECT   18   16   40   19   85                                       
CONECT   19   20   18   86   87                                       
CONECT   20   21   19                                                 
CONECT   21   23   20   22   88                                       
CONECT   22   21   33                                                 
CONECT   23   24   25   21   89                                       
CONECT   24   23   90                                                 
CONECT   25   26   23   31   91                                       
CONECT   26   27   25                                                 
CONECT   27   28   28   26   29                                       
CONECT   27   29   30                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30   27  121                                                 
CONECT   31   32   25   33   92                                       
CONECT   32   31   93                                                 
CONECT   33   31   22   34   94                                       
CONECT   34   33   35   95   96                                       
CONECT   35   34   36                                                 
CONECT   36   37   37   35   39                                       
CONECT   36   39   38                                                 
CONECT   37   36   36                                                 
CONECT   38   36  122                                                 
CONECT   39   36   36                                                 
CONECT   40   18   41   97                                            
CONECT   41   40   43   42   42                                       
CONECT   42   41   41                                                 
CONECT   43   41   44   98   99                                       
CONECT   44   43   45  100  101                                       
CONECT   45   44   46  102  103                                       
CONECT   46   45   47  104  105                                       
CONECT   47   46   48  106  107                                       
CONECT   48   47   49  108  109                                       
CONECT   49   48   50  110  111                                       
CONECT   50   49   51  112  113                                       
CONECT   51   50   52  114  115                                       
CONECT   52   51   53  116  117                                       
CONECT   53   52  118  119  120                                       
CONECT   54    1                                                      
CONECT   55    1                                                      
CONECT   56    1                                                      
CONECT   57    2                                                      
CONECT   58    2                                                      
CONECT   59    3                                                      
CONECT   60    3                                                      
CONECT   61    4                                                      
CONECT   62    4                                                      
CONECT   63    5                                                      
CONECT   64    5                                                      
CONECT   65    6                                                      
CONECT   66    6                                                      
CONECT   67    7                                                      
CONECT   68    7                                                      
CONECT   69    8                                                      
CONECT   70    8                                                      
CONECT   71    9                                                      
CONECT   72    9                                                      
CONECT   73   10                                                      
CONECT   74   10                                                      
CONECT   75   11                                                      
CONECT   76   11                                                      
CONECT   77   12                                                      
CONECT   78   12                                                      
CONECT   79   13                                                      
CONECT   80   13                                                      
CONECT   81   14                                                      
CONECT   82   15                                                      
CONECT   83   16                                                      
CONECT   84   17                                                      
CONECT   85   18                                                      
CONECT   86   19                                                      
CONECT   87   19                                                      
CONECT   88   21                                                      
CONECT   89   23                                                      
CONECT   90   24                                                      
CONECT   91   25                                                      
CONECT   92   31                                                      
CONECT   93   32                                                      
CONECT   94   33                                                      
CONECT   95   34                                                      
CONECT   96   34                                                      
CONECT   97   40                                                      
CONECT   98   43                                                      
CONECT   99   43                                                      
CONECT  100   44                                                      
CONECT  101   44                                                      
CONECT  102   45                                                      
CONECT  103   45                                                      
CONECT  104   46                                                      
CONECT  105   46                                                      
CONECT  106   47                                                      
CONECT  107   47                                                      
CONECT  108   48                                                      
CONECT  109   48                                                      
CONECT  110   49                                                      
CONECT  111   49                                                      
CONECT  112   50                                                      
CONECT  113   50                                                      
CONECT  114   51                                                      
CONECT  115   51                                                      
CONECT  116   52                                                      
CONECT  117   52                                                      
CONECT  118   53                                                      
CONECT  119   53                                                      
CONECT  120   53                                                      
CONECT  121   30                                                      
CONECT  122   38                                                      
MASTER        0    0    0    0    0    0    0    0  122    0  122    0
END
