COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       1.412  -1.418   1.819  1.00  0.00           S  
HETATM    2  C   UNL     1      -0.503  -2.064   0.191  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.335  -1.998   1.700  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.438  -2.650  -0.312  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.298  -0.985   2.322  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.977  -0.818   3.784  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.134  -1.518   4.304  1.00  0.00           O  
HETATM    8  C   UNL     1       1.527  -0.753   0.102  1.00  0.00           C  
HETATM    9  C   UNL     1       2.865  -1.121  -0.540  1.00  0.00           C  
HETATM   10  C   UNL     1       4.002  -0.438   0.220  1.00  0.00           C  
HETATM   11  C   UNL     1       5.341  -0.806  -0.422  1.00  0.00           C  
HETATM   12  C   UNL     1       6.478  -0.122   0.338  1.00  0.00           C  
HETATM   13  C   UNL     1       7.816  -0.490  -0.304  1.00  0.00           C  
HETATM   14  C   UNL     1       8.954   0.192   0.456  1.00  0.00           C  
HETATM   15  C   UNL     1      10.292  -0.175  -0.186  1.00  0.00           C  
HETATM   16  N   UNL     1       0.410  -1.457  -0.556  1.00  0.00           N  
HETATM   17  C   UNL     1       0.311  -1.487  -2.017  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.505  -0.286  -2.497  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.608  -0.317  -4.024  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.425   0.884  -4.504  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.527   0.853  -6.007  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.579   0.188  -6.613  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.572   1.495  -6.775  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.678   0.156  -7.988  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.656   1.466  -8.152  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.714   0.797  -8.770  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.814   0.766 -10.243  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.883   1.386 -10.994  1.00  0.00           O  
HETATM   29  O   UNL     1      -2.736   0.183 -10.778  1.00  0.00           O  
HETATM   30  N   UNL     1      -1.626   0.109   4.515  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.230   0.356   5.904  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.174   1.431   5.942  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.542   2.758   6.053  1.00  0.00           C  
HETATM   34  C   UNL     1       1.162   1.088   5.870  1.00  0.00           C  
HETATM   35  C   UNL     1       0.426   3.744   6.088  1.00  0.00           C  
HETATM   36  C   UNL     1       2.131   2.073   5.900  1.00  0.00           C  
HETATM   37  C   UNL     1       1.763   3.401   6.011  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.727   0.871   3.921  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.038   0.215   4.272  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.654   0.502   5.475  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.627  -0.668   3.387  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.857  -0.099   5.797  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.827  -1.273   3.711  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.443  -0.987   4.915  1.00  0.00           C  
HETATM   45  H   UNL     1      -0.455  -2.982   2.154  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.193  -0.026   1.815  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.322  -1.343   2.213  1.00  0.00           H  
HETATM   48  H   UNL     1       1.372   0.325   0.089  1.00  0.00           H  
HETATM   49  H   UNL     1       2.872  -0.790  -1.579  1.00  0.00           H  
HETATM   50  H   UNL     1       3.001  -2.202  -0.503  1.00  0.00           H  
HETATM   51  H   UNL     1       3.995  -0.769   1.259  1.00  0.00           H  
HETATM   52  H   UNL     1       3.866   0.642   0.183  1.00  0.00           H  
HETATM   53  H   UNL     1       5.348  -0.474  -1.461  1.00  0.00           H  
HETATM   54  H   UNL     1       5.477  -1.887  -0.385  1.00  0.00           H  
HETATM   55  H   UNL     1       6.471  -0.454   1.377  1.00  0.00           H  
HETATM   56  H   UNL     1       6.342   0.958   0.301  1.00  0.00           H  
HETATM   57  H   UNL     1       7.824  -0.159  -1.343  1.00  0.00           H  
HETATM   58  H   UNL     1       7.952  -1.571  -0.267  1.00  0.00           H  
HETATM   59  H   UNL     1       8.946  -0.138   1.495  1.00  0.00           H  
HETATM   60  H   UNL     1       8.818   1.273   0.419  1.00  0.00           H  
HETATM   61  H   UNL     1      11.102   0.311   0.355  1.00  0.00           H  
HETATM   62  H   UNL     1      10.428  -1.256  -0.149  1.00  0.00           H  
HETATM   63  H   UNL     1      10.299   0.156  -1.225  1.00  0.00           H  
HETATM   64  H   UNL     1       1.311  -1.443  -2.450  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.179  -2.408  -2.329  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.504  -0.330  -2.065  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.014   0.635  -2.185  1.00  0.00           H  
HETATM   68  H   UNL     1       0.390  -0.273  -4.456  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.099  -1.238  -4.336  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.425   0.840  -4.071  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.934   1.805  -4.192  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.323  -0.307  -6.007  1.00  0.00           H  
HETATM   73  H   UNL     1       0.245   2.012  -6.296  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.499  -0.363  -8.460  1.00  0.00           H  
HETATM   75  H   UNL     1       0.092   1.964  -8.750  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.948   1.366 -11.959  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.099   0.681   6.477  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.831  -0.560   6.337  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.587   3.026   6.113  1.00  0.00           H  
HETATM   80  H   UNL     1       1.450   0.050   5.784  1.00  0.00           H  
HETATM   81  H   UNL     1       0.138   4.781   6.174  1.00  0.00           H  
HETATM   82  H   UNL     1       3.176   1.806   5.840  1.00  0.00           H  
HETATM   83  H   UNL     1       2.520   4.171   6.037  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.716   1.889   4.309  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.611   0.893   2.837  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.196   1.196   6.165  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.146  -0.892   2.446  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.338   0.124   6.738  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.285  -1.968   3.022  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.382  -1.458   5.167  1.00  0.00           H  
CONECT    1    3    8                                                 
CONECT    2    3    4    4   16                                       
CONECT    3    1    2    5   45                                       
CONECT    4    2    2                                                 
CONECT    5    3    6   46   47                                       
CONECT    6    5    7    7   30                                       
CONECT    7    6    6                                                 
CONECT    8    1    9   16   48                                       
CONECT    9    8   10   49   50                                       
CONECT   10    9   11   51   52                                       
CONECT   11   10   12   53   54                                       
CONECT   12   11   13   55   56                                       
CONECT   13   12   14   57   58                                       
CONECT   14   13   15   59   60                                       
CONECT   15   14   61   62   63                                       
CONECT   16    2    8   17                                            
CONECT   17   16   18   64   65                                       
CONECT   18   17   19   66   67                                       
CONECT   19   18   20   68   69                                       
CONECT   20   19   21   70   71                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21   24   72                                       
CONECT   23   21   25   25   73                                       
CONECT   24   22   26   26   74                                       
CONECT   25   23   23   26   75                                       
CONECT   26   24   24   25   27                                       
CONECT   27   26   28   29   29                                       
CONECT   28   27   76                                                 
CONECT   29   27   27                                                 
CONECT   30    6   31   38                                            
CONECT   31   30   32   77   78                                       
CONECT   32   31   33   33   34                                       
CONECT   33   32   32   35   79                                       
CONECT   34   32   36   36   80                                       
CONECT   35   33   37   37   81                                       
CONECT   36   34   34   37   82                                       
CONECT   37   35   35   36   83                                       
CONECT   38   30   39   84   85                                       
CONECT   39   38   40   40   41                                       
CONECT   40   39   39   42   86                                       
CONECT   41   39   43   43   87                                       
CONECT   42   40   44   44   88                                       
CONECT   43   41   41   44   89                                       
CONECT   44   42   42   43   90                                       
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
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   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   28                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   38                                                      
CONECT   86   40                                                      
CONECT   87   41                                                      
CONECT   88   42                                                      
CONECT   89   43                                                      
CONECT   90   44                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
