COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -8.500  -5.239  -0.583  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.601  -6.077   0.097  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.543  -7.431  -0.277  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.394  -4.089   0.939  1.00  0.00           C  
HETATM    5  N   UNL     1      -8.340  -7.852  -1.253  1.00  0.00           N  
HETATM    6  N   UNL     1      -9.259  -5.752  -1.547  1.00  0.00           N  
HETATM    7  O   UNL     1      13.410  -3.304  -0.824  1.00  0.00           O  
HETATM    8  C   UNL     1      14.534  -2.971  -0.530  1.00  0.00           C  
HETATM    9  C   UNL     1      15.683  -3.930  -0.726  1.00  0.00           C  
HETATM   10  C   UNL     1      16.577  -3.950   0.527  1.00  0.00           C  
HETATM   11  C   UNL     1      16.929  -2.513   0.859  1.00  0.00           C  
HETATM   12  C   UNL     1      17.511  -1.827  -0.378  1.00  0.00           C  
HETATM   13  C   UNL     1      17.850  -2.312   2.029  1.00  0.00           C  
HETATM   14  O   UNL     1      18.739  -3.046   2.387  1.00  0.00           O  
HETATM   15  C   UNL     1      17.435  -0.994   2.671  1.00  0.00           C  
HETATM   16  C   UNL     1      16.191  -0.491   1.891  1.00  0.00           C  
HETATM   17  C   UNL     1      15.628  -1.787   1.295  1.00  0.00           C  
HETATM   18  C   UNL     1      14.794  -1.583   0.031  1.00  0.00           C  
HETATM   19  C   UNL     1      13.470  -0.899   0.379  1.00  0.00           C  
HETATM   20  C   UNL     1      12.665  -0.666  -0.901  1.00  0.00           C  
HETATM   21  C   UNL     1      11.361   0.007  -0.559  1.00  0.00           C  
HETATM   22  O   UNL     1      11.101   0.274   0.596  1.00  0.00           O  
HETATM   23  S   UNL     1      10.247   0.396  -1.799  1.00  0.00           S  
HETATM   24  C   UNL     1       8.931   1.153  -0.814  1.00  0.00           C  
HETATM   25  C   UNL     1       7.792   1.592  -1.736  1.00  0.00           C  
HETATM   26  N   UNL     1       6.726   2.204  -0.938  1.00  0.00           N  
HETATM   27  C   UNL     1       5.615   2.669  -1.542  1.00  0.00           C  
HETATM   28  O   UNL     1       5.496   2.580  -2.746  1.00  0.00           O  
HETATM   29  C   UNL     1       4.519   3.299  -0.721  1.00  0.00           C  
HETATM   30  C   UNL     1       3.380   3.738  -1.643  1.00  0.00           C  
HETATM   31  N   UNL     1       2.314   4.351  -0.846  1.00  0.00           N  
HETATM   32  C   UNL     1       1.203   4.815  -1.450  1.00  0.00           C  
HETATM   33  O   UNL     1       1.123   4.812  -2.660  1.00  0.00           O  
HETATM   34  C   UNL     1       0.058   5.340  -0.621  1.00  0.00           C  
HETATM   35  O   UNL     1       0.484   5.497   0.734  1.00  0.00           O  
HETATM   36  C   UNL     1      -1.108   4.351  -0.678  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.660   4.294  -2.103  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.618   2.961  -0.265  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.211   4.807   0.279  1.00  0.00           C  
HETATM   40  O   UNL     1      -3.300   3.883   0.226  1.00  0.00           O  
HETATM   41  P   UNL     1      -4.637   4.052   1.107  1.00  0.00           P  
HETATM   42  O   UNL     1      -4.274   4.166   2.537  1.00  0.00           O  
HETATM   43  O   UNL     1      -5.419   5.381   0.645  1.00  0.00           O  
HETATM   44  O   UNL     1      -5.585   2.769   0.894  1.00  0.00           O  
HETATM   45  P   UNL     1      -6.863   2.180   1.678  1.00  0.00           P  
HETATM   46  O   UNL     1      -7.800   3.282   1.992  1.00  0.00           O  
HETATM   47  O   UNL     1      -6.378   1.482   3.045  1.00  0.00           O  
HETATM   48  O   UNL     1      -7.605   1.091   0.753  1.00  0.00           O  
HETATM   49  C   UNL     1      -8.833   0.463   1.124  1.00  0.00           C  
HETATM   50  C   UNL     1      -9.259  -0.513   0.024  1.00  0.00           C  
HETATM   51  O   UNL     1      -8.323  -1.601  -0.053  1.00  0.00           O  
HETATM   52  C   UNL     1     -10.635  -1.117   0.364  1.00  0.00           C  
HETATM   53  O   UNL     1     -11.585  -0.802  -0.657  1.00  0.00           O  
HETATM   54  P   UNL     1     -12.933   0.032  -0.374  1.00  0.00           P  
HETATM   55  O   UNL     1     -13.704  -0.626   0.704  1.00  0.00           O  
HETATM   56  O   UNL     1     -12.552   1.530   0.077  1.00  0.00           O  
HETATM   57  O   UNL     1     -13.822   0.085  -1.715  1.00  0.00           O  
HETATM   58  C   UNL     1     -10.379  -2.642   0.414  1.00  0.00           C  
HETATM   59  O   UNL     1     -11.451  -3.360  -0.201  1.00  0.00           O  
HETATM   60  C   UNL     1      -9.075  -2.780  -0.412  1.00  0.00           C  
HETATM   61  N   UNL     1      -8.347  -3.993  -0.030  1.00  0.00           N  
HETATM   62  N   UNL     1      -6.961  -5.314   1.015  1.00  0.00           N  
HETATM   63  C   UNL     1      -9.170  -7.026  -1.864  1.00  0.00           C  
HETATM   64  N   UNL     1      -6.676  -8.304   0.356  1.00  0.00           N  
HETATM   65  H   UNL     1      -7.051  -3.271   1.555  1.00  0.00           H  
HETATM   66  H   UNL     1      15.291  -4.931  -0.906  1.00  0.00           H  
HETATM   67  H   UNL     1      16.274  -3.616  -1.586  1.00  0.00           H  
HETATM   68  H   UNL     1      16.037  -4.401   1.360  1.00  0.00           H  
HETATM   69  H   UNL     1      17.485  -4.517   0.324  1.00  0.00           H  
HETATM   70  H   UNL     1      16.771  -1.831  -1.178  1.00  0.00           H  
HETATM   71  H   UNL     1      17.775  -0.798  -0.133  1.00  0.00           H  
HETATM   72  H   UNL     1      18.403  -2.362  -0.705  1.00  0.00           H  
HETATM   73  H   UNL     1      17.179  -1.153   3.719  1.00  0.00           H  
HETATM   74  H   UNL     1      18.244  -0.268   2.591  1.00  0.00           H  
HETATM   75  H   UNL     1      15.469  -0.034   2.568  1.00  0.00           H  
HETATM   76  H   UNL     1      16.483   0.208   1.107  1.00  0.00           H  
HETATM   77  H   UNL     1      15.087  -2.365   2.044  1.00  0.00           H  
HETATM   78  H   UNL     1      15.347  -0.984  -0.693  1.00  0.00           H  
HETATM   79  H   UNL     1      12.900  -1.536   1.056  1.00  0.00           H  
HETATM   80  H   UNL     1      13.670   0.057   0.862  1.00  0.00           H  
HETATM   81  H   UNL     1      13.236  -0.030  -1.578  1.00  0.00           H  
HETATM   82  H   UNL     1      12.465  -1.622  -1.384  1.00  0.00           H  
HETATM   83  H   UNL     1       8.555   0.428  -0.092  1.00  0.00           H  
HETATM   84  H   UNL     1       9.326   2.020  -0.285  1.00  0.00           H  
HETATM   85  H   UNL     1       8.167   2.316  -2.458  1.00  0.00           H  
HETATM   86  H   UNL     1       7.397   0.724  -2.264  1.00  0.00           H  
HETATM   87  H   UNL     1       6.821   2.276   0.025  1.00  0.00           H  
HETATM   88  H   UNL     1       4.143   2.574   0.001  1.00  0.00           H  
HETATM   89  H   UNL     1       4.914   4.167  -0.193  1.00  0.00           H  
HETATM   90  H   UNL     1       3.755   4.463  -2.365  1.00  0.00           H  
HETATM   91  H   UNL     1       2.985   2.871  -2.172  1.00  0.00           H  
HETATM   92  H   UNL     1       2.409   4.422   0.117  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.264   6.304  -1.015  1.00  0.00           H  
HETATM   94  H   UNL     1       0.785   4.677   1.149  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.898   3.895  -2.773  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.539   3.650  -2.127  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.937   5.298  -2.426  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.224   3.001   0.751  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.448   2.256  -0.306  1.00  0.00           H  
HETATM  100  H   UNL     1       0.168   2.636  -0.947  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.817   4.847   1.295  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.560   5.797  -0.015  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.688   5.376  -0.284  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.760   0.749   2.915  1.00  0.00           H  
HETATM  105  H   UNL     1      -8.695  -0.081   2.058  1.00  0.00           H  
HETATM  106  H   UNL     1      -9.605   1.221   1.255  1.00  0.00           H  
HETATM  107  H   UNL     1      -9.305   0.005  -0.933  1.00  0.00           H  
HETATM  108  H   UNL     1     -10.983  -0.754   1.332  1.00  0.00           H  
HETATM  109  H   UNL     1     -12.044   2.023  -0.583  1.00  0.00           H  
HETATM  110  H   UNL     1     -14.651   0.574  -1.617  1.00  0.00           H  
HETATM  111  H   UNL     1     -10.227  -2.978   1.440  1.00  0.00           H  
HETATM  112  H   UNL     1     -11.336  -4.320  -0.194  1.00  0.00           H  
HETATM  113  H   UNL     1      -9.296  -2.783  -1.480  1.00  0.00           H  
HETATM  114  H   UNL     1      -9.800  -7.411  -2.652  1.00  0.00           H  
HETATM  115  H   UNL     1      -6.099  -7.984   1.067  1.00  0.00           H  
HETATM  116  H   UNL     1      -6.645  -9.236   0.089  1.00  0.00           H  
CONECT    1    2    2    6   61                                       
CONECT    2    1    1    3   62                                       
CONECT    3    2    5    5   64                                       
CONECT    4   61   62   62   65                                       
CONECT    5    3    3   63                                            
CONECT    6    1   63   63                                            
CONECT    7    8    8                                                 
CONECT    8    7    7    9   18                                       
CONECT    9    8   10   66   67                                       
CONECT   10    9   11   68   69                                       
CONECT   11   10   12   13   17                                       
CONECT   12   11   70   71   72                                       
CONECT   13   11   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   73   74                                       
CONECT   16   15   17   75   76                                       
CONECT   17   11   16   18   77                                       
CONECT   18    8   17   19   78                                       
CONECT   19   18   20   79   80                                       
CONECT   20   19   21   81   82                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24                                                 
CONECT   24   23   25   83   84                                       
CONECT   25   24   26   85   86                                       
CONECT   26   25   27   87                                            
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   88   89                                       
CONECT   30   29   31   90   91                                       
CONECT   31   30   32   92                                            
CONECT   32   31   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35   36   93                                       
CONECT   35   34   94                                                 
CONECT   36   34   37   38   39                                       
CONECT   37   36   95   96   97                                       
CONECT   38   36   98   99  100                                       
CONECT   39   36   40  101  102                                       
CONECT   40   39   41                                                 
CONECT   41   40   42   42   43                                       
CONECT   41   44                                                      
CONECT   42   41   41                                                 
CONECT   43   41  103                                                 
CONECT   44   41   45                                                 
CONECT   45   44   46   46   47                                       
CONECT   45   48                                                      
CONECT   46   45   45                                                 
CONECT   47   45  104                                                 
CONECT   48   45   49                                                 
CONECT   49   48   50  105  106                                       
CONECT   50   49   51   52  107                                       
CONECT   51   50   60                                                 
CONECT   52   50   53   58  108                                       
CONECT   53   52   54                                                 
CONECT   54   53   55   55   56                                       
CONECT   54   57                                                      
CONECT   55   54   54                                                 
CONECT   56   54  109                                                 
CONECT   57   54  110                                                 
CONECT   58   52   59   60  111                                       
CONECT   59   58  112                                                 
CONECT   60   51   58   61  113                                       
CONECT   61    1    4   60                                            
CONECT   62    2    4    4                                            
CONECT   63    5    6    6  114                                       
CONECT   64    3  115  116                                            
CONECT   65    4                                                      
CONECT   66    9                                                      
CONECT   67    9                                                      
CONECT   68   10                                                      
CONECT   69   10                                                      
CONECT   70   12                                                      
CONECT   71   12                                                      
CONECT   72   12                                                      
CONECT   73   15                                                      
CONECT   74   15                                                      
CONECT   75   16                                                      
CONECT   76   16                                                      
CONECT   77   17                                                      
CONECT   78   18                                                      
CONECT   79   19                                                      
CONECT   80   19                                                      
CONECT   81   20                                                      
CONECT   82   20                                                      
CONECT   83   24                                                      
CONECT   84   24                                                      
CONECT   85   25                                                      
CONECT   86   25                                                      
CONECT   87   26                                                      
CONECT   88   29                                                      
CONECT   89   29                                                      
CONECT   90   30                                                      
CONECT   91   30                                                      
CONECT   92   31                                                      
CONECT   93   34                                                      
CONECT   94   35                                                      
CONECT   95   37                                                      
CONECT   96   37                                                      
CONECT   97   37                                                      
CONECT   98   38                                                      
CONECT   99   38                                                      
CONECT  100   38                                                      
CONECT  101   39                                                      
CONECT  102   39                                                      
CONECT  103   43                                                      
CONECT  104   47                                                      
CONECT  105   49                                                      
CONECT  106   49                                                      
CONECT  107   50                                                      
CONECT  108   52                                                      
CONECT  109   56                                                      
CONECT  110   57                                                      
CONECT  111   58                                                      
CONECT  112   59                                                      
CONECT  113   60                                                      
CONECT  114   63                                                      
CONECT  115   64                                                      
CONECT  116   64                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
