COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       0.724  -2.034   0.972  1.00  0.00           S  
HETATM    2  C   UNL     1      -0.405  -0.737   1.550  1.00  0.00           C  
HETATM    3  C   UNL     1       0.106   0.629   1.083  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.964   1.328   0.365  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.191   1.413   0.913  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.303   2.105   0.169  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.486   1.217   0.155  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.348   0.052  -0.541  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.507  -0.909  -0.594  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.145  -2.094  -1.492  1.00  0.00           C  
HETATM   11  S   UNL     1      -5.067  -3.607  -0.494  1.00  0.00           S  
HETATM   12  C   UNL     1      -3.385  -4.159  -0.890  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.483  -3.908   0.290  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.195  -3.754   0.109  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.293  -3.501   1.290  1.00  0.00           C  
HETATM   16  N   UNL     1      -6.684  -0.226  -1.138  1.00  0.00           N  
HETATM   17  C   UNL     1      -7.483   0.490  -0.323  1.00  0.00           C  
HETATM   18  O   UNL     1      -7.228   0.570   0.862  1.00  0.00           O  
HETATM   19  O   UNL     1      -8.564   1.118  -0.822  1.00  0.00           O  
HETATM   20  C   UNL     1      -9.426   1.890   0.055  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.616   3.012   0.707  1.00  0.00           C  
HETATM   22  C   UNL     1     -10.572   2.495  -0.758  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.998   0.976   1.141  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.308  -0.205  -1.109  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.656   3.419   0.869  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.402   0.932   2.006  1.00  0.00           O  
HETATM   27  C   UNL     1       1.304   0.435   0.152  1.00  0.00           C  
HETATM   28  O   UNL     1       0.906  -0.338  -0.982  1.00  0.00           O  
HETATM   29  C   UNL     1       1.813   1.800  -0.315  1.00  0.00           C  
HETATM   30  C   UNL     1       3.093   1.615  -1.133  1.00  0.00           C  
HETATM   31  C   UNL     1       3.510   2.956  -1.738  1.00  0.00           C  
HETATM   32  C   UNL     1       4.192   1.104  -0.237  1.00  0.00           C  
HETATM   33  O   UNL     1       3.973   0.907   0.940  1.00  0.00           O  
HETATM   34  N   UNL     1       5.418   0.865  -0.743  1.00  0.00           N  
HETATM   35  C   UNL     1       6.486   0.369   0.127  1.00  0.00           C  
HETATM   36  C   UNL     1       6.393  -1.155   0.231  1.00  0.00           C  
HETATM   37  C   UNL     1       5.035  -1.544   0.817  1.00  0.00           C  
HETATM   38  C   UNL     1       6.543  -1.771  -1.162  1.00  0.00           C  
HETATM   39  C   UNL     1       7.824   0.752  -0.450  1.00  0.00           C  
HETATM   40  O   UNL     1       7.880   1.379  -1.488  1.00  0.00           O  
HETATM   41  N   UNL     1       8.959   0.399   0.185  1.00  0.00           N  
HETATM   42  C   UNL     1      10.259   0.772  -0.376  1.00  0.00           C  
HETATM   43  C   UNL     1      11.375   0.253   0.533  1.00  0.00           C  
HETATM   44  C   UNL     1      12.734   0.643  -0.054  1.00  0.00           C  
HETATM   45  C   UNL     1      13.849   0.124   0.856  1.00  0.00           C  
HETATM   46  H   UNL     1      -0.452  -0.754   2.638  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.400  -0.912   1.140  1.00  0.00           H  
HETATM   48  H   UNL     1       0.409   1.218   1.948  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.789   1.728  -0.501  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.988   2.309  -0.855  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.309   1.448   0.614  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.728  -1.269   0.411  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.176  -1.915  -1.957  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.904  -2.208  -2.266  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.016  -3.608  -1.754  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.397  -5.225  -1.118  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.898  -3.853   1.286  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.778  -3.809  -0.886  1.00  0.00           H  
HETATM   59  H   UNL     1       0.354  -4.365   1.445  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.899  -3.337   2.181  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.887  -0.289  -2.084  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.208   3.663  -0.066  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.262   3.591   1.366  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.799   2.581   1.287  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.149   1.696  -1.222  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.219   3.074  -0.099  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.165   3.146  -1.531  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.181   0.545   1.720  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.644   1.556   1.800  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.575   0.177   0.677  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.965   3.213   1.894  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.783   4.072   0.877  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.470   3.908   0.335  1.00  0.00           H  
HETATM   74  H   UNL     1       2.099  -0.086   0.686  1.00  0.00           H  
HETATM   75  H   UNL     1       0.203   0.157  -1.425  1.00  0.00           H  
HETATM   76  H   UNL     1       2.024   2.425   0.553  1.00  0.00           H  
HETATM   77  H   UNL     1       1.053   2.279  -0.933  1.00  0.00           H  
HETATM   78  H   UNL     1       2.912   0.896  -1.932  1.00  0.00           H  
HETATM   79  H   UNL     1       4.399   2.817  -2.353  1.00  0.00           H  
HETATM   80  H   UNL     1       2.699   3.345  -2.354  1.00  0.00           H  
HETATM   81  H   UNL     1       3.729   3.663  -0.938  1.00  0.00           H  
HETATM   82  H   UNL     1       5.593   1.022  -1.685  1.00  0.00           H  
HETATM   83  H   UNL     1       6.380   0.808   1.119  1.00  0.00           H  
HETATM   84  H   UNL     1       7.188  -1.524   0.879  1.00  0.00           H  
HETATM   85  H   UNL     1       4.240  -1.175   0.169  1.00  0.00           H  
HETATM   86  H   UNL     1       4.968  -2.630   0.891  1.00  0.00           H  
HETATM   87  H   UNL     1       4.928  -1.105   1.809  1.00  0.00           H  
HETATM   88  H   UNL     1       7.510  -1.493  -1.580  1.00  0.00           H  
HETATM   89  H   UNL     1       6.476  -2.856  -1.088  1.00  0.00           H  
HETATM   90  H   UNL     1       5.748  -1.401  -1.810  1.00  0.00           H  
HETATM   91  H   UNL     1       8.914  -0.102   1.015  1.00  0.00           H  
HETATM   92  H   UNL     1      10.326   1.857  -0.450  1.00  0.00           H  
HETATM   93  H   UNL     1      10.366   0.333  -1.369  1.00  0.00           H  
HETATM   94  H   UNL     1      11.309  -0.832   0.607  1.00  0.00           H  
HETATM   95  H   UNL     1      11.269   0.692   1.525  1.00  0.00           H  
HETATM   96  H   UNL     1      12.800   1.728  -0.127  1.00  0.00           H  
HETATM   97  H   UNL     1      12.840   0.204  -1.046  1.00  0.00           H  
HETATM   98  H   UNL     1      14.817   0.401   0.438  1.00  0.00           H  
HETATM   99  H   UNL     1      13.743   0.563   1.848  1.00  0.00           H  
HETATM  100  H   UNL     1      13.783  -0.961   0.929  1.00  0.00           H  
CONECT    1    2   15                                                 
CONECT    2    1    3   46   47                                       
CONECT    3    2    4   27   48                                       
CONECT    4    3    5   49                                            
CONECT    5    4    6   26   26                                       
CONECT    6    5    7   25   50                                       
CONECT    7    6    8   51                                            
CONECT    8    7    9   24   24                                       
CONECT    9    8   10   16   52                                       
CONECT   10    9   11   53   54                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   55   56                                       
CONECT   13   12   14   14   57                                       
CONECT   14   13   13   15   58                                       
CONECT   15    1   14   59   60                                       
CONECT   16    9   17   61                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20                                                 
CONECT   20   19   21   22   23                                       
CONECT   21   20   62   63   64                                       
CONECT   22   20   65   66   67                                       
CONECT   23   20   68   69   70                                       
CONECT   24    8    8                                                 
CONECT   25    6   71   72   73                                       
CONECT   26    5    5                                                 
CONECT   27    3   28   29   74                                       
CONECT   28   27   75                                                 
CONECT   29   27   30   76   77                                       
CONECT   30   29   31   32   78                                       
CONECT   31   30   79   80   81                                       
CONECT   32   30   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35   82                                            
CONECT   35   34   36   39   83                                       
CONECT   36   35   37   38   84                                       
CONECT   37   36   85   86   87                                       
CONECT   38   36   88   89   90                                       
CONECT   39   35   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   42   91                                            
CONECT   42   41   43   92   93                                       
CONECT   43   42   44   94   95                                       
CONECT   44   43   45   96   97                                       
CONECT   45   44   98   99  100                                       
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   37                                                      
CONECT   86   37                                                      
CONECT   87   37                                                      
CONECT   88   38                                                      
CONECT   89   38                                                      
CONECT   90   38                                                      
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   45                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
