COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.220   6.515   0.117  1.00  0.00           C  
HETATM    2  C   UNL     1       1.997   7.154   0.027  1.00  0.00           C  
HETATM    3  C   UNL     1       0.862   6.547   0.529  1.00  0.00           C  
HETATM    4  C   UNL     1       0.948   5.300   1.121  1.00  0.00           C  
HETATM    5  C   UNL     1       2.171   4.661   1.209  1.00  0.00           C  
HETATM    6  C   UNL     1       3.306   5.268   0.708  1.00  0.00           C  
HETATM    7  C   UNL     1       4.638   4.569   0.800  1.00  0.00           C  
HETATM    8  C   UNL     1       5.214   4.752   2.205  1.00  0.00           C  
HETATM    9  N   UNL     1       4.459   3.140   0.528  1.00  0.00           N  
HETATM   10  C   UNL     1       5.490   2.409   0.060  1.00  0.00           C  
HETATM   11  O   UNL     1       6.569   2.935  -0.136  1.00  0.00           O  
HETATM   12  C   UNL     1       5.310   0.967  -0.214  1.00  0.00           C  
HETATM   13  C   UNL     1       4.074   0.364   0.010  1.00  0.00           C  
HETATM   14  C   UNL     1       6.376   0.211  -0.704  1.00  0.00           C  
HETATM   15  C   UNL     1       6.207  -1.142  -0.962  1.00  0.00           C  
HETATM   16  N   UNL     1       7.276  -1.897  -1.453  1.00  0.00           N  
HETATM   17  C   UNL     1       7.318  -3.343  -1.223  1.00  0.00           C  
HETATM   18  S   UNL     1       8.495  -1.156  -2.295  1.00  0.00           S  
HETATM   19  C   UNL     1       9.703  -0.690  -1.025  1.00  0.00           C  
HETATM   20  O   UNL     1       9.018  -2.182  -3.128  1.00  0.00           O  
HETATM   21  O   UNL     1       7.884   0.000  -2.851  1.00  0.00           O  
HETATM   22  C   UNL     1       4.979  -1.747  -0.734  1.00  0.00           C  
HETATM   23  C   UNL     1       3.908  -0.995  -0.250  1.00  0.00           C  
HETATM   24  C   UNL     1       2.599  -1.639  -0.013  1.00  0.00           C  
HETATM   25  O   UNL     1       2.454  -2.825  -0.240  1.00  0.00           O  
HETATM   26  N   UNL     1       1.565  -0.912   0.456  1.00  0.00           N  
HETATM   27  C   UNL     1       0.267  -1.550   0.691  1.00  0.00           C  
HETATM   28  C   UNL     1       0.257  -2.188   2.081  1.00  0.00           C  
HETATM   29  C   UNL     1       1.266  -3.307   2.128  1.00  0.00           C  
HETATM   30  C   UNL     1       0.890  -4.592   1.783  1.00  0.00           C  
HETATM   31  C   UNL     1       1.816  -5.618   1.826  1.00  0.00           C  
HETATM   32  C   UNL     1       3.117  -5.359   2.213  1.00  0.00           C  
HETATM   33  C   UNL     1       3.493  -4.074   2.557  1.00  0.00           C  
HETATM   34  C   UNL     1       2.569  -3.047   2.510  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.841  -0.499   0.604  1.00  0.00           C  
HETATM   36  O   UNL     1      -0.687   0.445   1.665  1.00  0.00           O  
HETATM   37  C   UNL     1      -2.204  -1.184   0.725  1.00  0.00           C  
HETATM   38  N   UNL     1      -3.270  -0.194   0.523  1.00  0.00           N  
HETATM   39  C   UNL     1      -4.595  -0.817   0.632  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.677   0.243   0.416  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.058  -0.406   0.530  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.248  -1.407  -0.613  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.653  -2.008  -0.529  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.140   0.674   0.438  1.00  0.00           C  
HETATM   45  C   UNL     1      -9.519   0.013   0.491  1.00  0.00           C  
HETATM   46  N   UNL     1      -9.652  -0.935  -0.622  1.00  0.00           N  
HETATM   47  C   UNL     1     -11.012  -1.487  -0.684  1.00  0.00           C  
HETATM   48  C   UNL     1     -11.985  -0.387  -1.024  1.00  0.00           C  
HETATM   49  C   UNL     1     -12.574   0.352  -0.014  1.00  0.00           C  
HETATM   50  C   UNL     1     -13.466   1.360  -0.326  1.00  0.00           C  
HETATM   51  C   UNL     1     -13.769   1.631  -1.648  1.00  0.00           C  
HETATM   52  C   UNL     1     -13.181   0.892  -2.657  1.00  0.00           C  
HETATM   53  C   UNL     1     -12.285  -0.113  -2.345  1.00  0.00           C  
HETATM   54  H   UNL     1       4.107   6.987  -0.279  1.00  0.00           H  
HETATM   55  H   UNL     1       1.930   8.128  -0.435  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.093   7.046   0.460  1.00  0.00           H  
HETATM   57  H   UNL     1       0.061   4.826   1.514  1.00  0.00           H  
HETATM   58  H   UNL     1       2.238   3.687   1.671  1.00  0.00           H  
HETATM   59  H   UNL     1       5.324   4.995   0.068  1.00  0.00           H  
HETATM   60  H   UNL     1       4.529   4.326   2.938  1.00  0.00           H  
HETATM   61  H   UNL     1       6.178   4.246   2.272  1.00  0.00           H  
HETATM   62  H   UNL     1       5.347   5.815   2.408  1.00  0.00           H  
HETATM   63  H   UNL     1       3.599   2.721   0.684  1.00  0.00           H  
HETATM   64  H   UNL     1       3.247   0.948   0.385  1.00  0.00           H  
HETATM   65  H   UNL     1       7.332   0.679  -0.882  1.00  0.00           H  
HETATM   66  H   UNL     1       6.817  -3.856  -2.043  1.00  0.00           H  
HETATM   67  H   UNL     1       8.356  -3.672  -1.169  1.00  0.00           H  
HETATM   68  H   UNL     1       6.813  -3.576  -0.285  1.00  0.00           H  
HETATM   69  H   UNL     1       9.235  -0.015  -0.309  1.00  0.00           H  
HETATM   70  H   UNL     1      10.051  -1.584  -0.508  1.00  0.00           H  
HETATM   71  H   UNL     1      10.550  -0.190  -1.495  1.00  0.00           H  
HETATM   72  H   UNL     1       4.851  -2.800  -0.936  1.00  0.00           H  
HETATM   73  H   UNL     1       1.680   0.034   0.637  1.00  0.00           H  
HETATM   74  H   UNL     1       0.099  -2.319  -0.063  1.00  0.00           H  
HETATM   75  H   UNL     1       0.514  -1.437   2.828  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.736  -2.586   2.292  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.127  -4.794   1.481  1.00  0.00           H  
HETATM   78  H   UNL     1       1.522  -6.622   1.557  1.00  0.00           H  
HETATM   79  H   UNL     1       3.840  -6.161   2.247  1.00  0.00           H  
HETATM   80  H   UNL     1       4.510  -3.872   2.859  1.00  0.00           H  
HETATM   81  H   UNL     1       2.864  -2.043   2.775  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.778   0.017  -0.354  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.732   0.054   2.549  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.286  -1.966  -0.030  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.302  -1.625   1.717  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.163   0.276  -0.364  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.694  -1.596  -0.123  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.710  -1.256   1.623  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.578   1.023   1.171  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.562   0.682  -0.576  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.139  -0.923   1.486  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.128  -0.896  -1.568  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.507  -2.202  -0.528  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.797  -2.711  -1.349  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.769  -2.530   0.421  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.035   1.366   1.273  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.033   1.217  -0.501  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.630  -0.519   1.436  1.00  0.00           H  
HETATM   99  H   UNL     1     -10.292   0.777   0.412  1.00  0.00           H  
HETATM  100  H   UNL     1     -11.056  -2.260  -1.451  1.00  0.00           H  
HETATM  101  H   UNL     1     -11.274  -1.918   0.282  1.00  0.00           H  
HETATM  102  H   UNL     1     -12.337   0.140   1.018  1.00  0.00           H  
HETATM  103  H   UNL     1     -13.926   1.937   0.462  1.00  0.00           H  
HETATM  104  H   UNL     1     -14.467   2.418  -1.891  1.00  0.00           H  
HETATM  105  H   UNL     1     -13.418   1.103  -3.689  1.00  0.00           H  
HETATM  106  H   UNL     1     -11.821  -0.688  -3.134  1.00  0.00           H  
CONECT    1    2    2    6   54                                       
CONECT    2    3    1    1   55                                       
CONECT    3    4    4    2   56                                       
CONECT    4    3    3    5   57                                       
CONECT    5    4    6    6   58                                       
CONECT    6    5    5    1    7                                       
CONECT    7    6    8    9   59                                       
CONECT    8    7   60   61   62                                       
CONECT    9    7   10   63                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   13   14                                       
CONECT   13   12   12   23   64                                       
CONECT   14   12   15   15   65                                       
CONECT   15   14   14   22   16                                       
CONECT   16   18   15   17                                            
CONECT   17   16   66   67   68                                       
CONECT   18   20   20   21   21                                       
CONECT   18   16   19                                                 
CONECT   19   18   69   70   71                                       
CONECT   20   18   18                                                 
CONECT   21   18   18                                                 
CONECT   22   23   23   15   72                                       
CONECT   23   13   24   22   22                                       
CONECT   24   26   23   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   27   24   73                                            
CONECT   27   35   28   26   74                                       
CONECT   28   27   29   75   76                                       
CONECT   29   28   30   34   34                                       
CONECT   30   31   31   29   77                                       
CONECT   31   30   30   32   78                                       
CONECT   32   31   33   33   79                                       
CONECT   33   32   32   34   80                                       
CONECT   34   29   29   33   81                                       
CONECT   35   36   37   27   82                                       
CONECT   36   35   83                                                 
CONECT   37   38   35   84   85                                       
CONECT   38   39   37   86                                            
CONECT   39   38   40   87   88                                       
CONECT   40   39   41   89   90                                       
CONECT   41   40   44   42   91                                       
CONECT   42   41   43   92   93                                       
CONECT   43   42   46   94   95                                       
CONECT   44   41   45   96   97                                       
CONECT   45   44   46   98   99                                       
CONECT   46   45   43   47                                            
CONECT   47   46   48  100  101                                       
CONECT   48   47   53   53   49                                       
CONECT   49   48   50   50  102                                       
CONECT   50   49   49   51  103                                       
CONECT   51   52   52   50  104                                       
CONECT   52   53   51   51  105                                       
CONECT   53   48   48   52  106                                       
CONECT   54    1                                                      
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    5                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   22                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   39                                                      
CONECT   89   40                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   43                                                      
CONECT   95   43                                                      
CONECT   96   44                                                      
CONECT   97   44                                                      
CONECT   98   45                                                      
CONECT   99   45                                                      
CONECT  100   47                                                      
CONECT  101   47                                                      
CONECT  102   49                                                      
CONECT  103   50                                                      
CONECT  104   51                                                      
CONECT  105   52                                                      
CONECT  106   53                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
