COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.811  -1.502  -0.081  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.214  -1.326  -0.630  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.780   0.045  -0.278  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.109   0.159  -0.791  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.897   1.128  -0.900  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.518   1.092  -0.237  1.00  0.00           C  
HETATM    7  C   UNL     1       0.387   2.085  -0.970  1.00  0.00           C  
HETATM    8  C   UNL     1       1.809   1.950  -0.429  1.00  0.00           C  
HETATM    9  C   UNL     1       2.355   0.568  -0.747  1.00  0.00           C  
HETATM   10  C   UNL     1       1.330  -0.516  -0.543  1.00  0.00           C  
HETATM   11  C   UNL     1       0.059  -0.290  -0.305  1.00  0.00           C  
HETATM   12  C   UNL     1       1.764  -1.970  -0.613  1.00  0.00           C  
HETATM   13  C   UNL     1       3.056  -2.181   0.194  1.00  0.00           C  
HETATM   14  C   UNL     1       4.065  -1.154  -0.288  1.00  0.00           C  
HETATM   15  C   UNL     1       3.541   0.243   0.145  1.00  0.00           C  
HETATM   16  C   UNL     1       4.769   1.133  -0.027  1.00  0.00           C  
HETATM   17  C   UNL     1       5.972   0.222   0.190  1.00  0.00           C  
HETATM   18  C   UNL     1       5.431  -1.192   0.406  1.00  0.00           C  
HETATM   19  C   UNL     1       3.100   0.207   1.609  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.649   1.515   1.227  1.00  0.00           C  
HETATM   21  O   UNL     1       7.133   0.554   0.191  1.00  0.00           O  
HETATM   22  S   UNL     1      -5.194  -0.191   0.218  1.00  0.00           S  
HETATM   23  O   UNL     1      -6.418  -0.220  -0.503  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.705  -1.296   0.965  1.00  0.00           O  
HETATM   25  N   UNL     1      -5.306   1.077   1.277  1.00  0.00           N  
HETATM   26  H   UNL     1      -0.875  -1.696   0.990  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.348  -2.361  -0.566  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.188  -1.434  -1.715  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.861  -2.098  -0.211  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.796   0.165   0.805  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.793   0.943  -1.969  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.354   2.105  -0.742  1.00  0.00           H  
HETATM   33  H   UNL     1       0.381   1.864  -2.038  1.00  0.00           H  
HETATM   34  H   UNL     1       0.026   3.100  -0.805  1.00  0.00           H  
HETATM   35  H   UNL     1       2.445   2.706  -0.890  1.00  0.00           H  
HETATM   36  H   UNL     1       1.800   2.096   0.651  1.00  0.00           H  
HETATM   37  H   UNL     1       2.688   0.550  -1.785  1.00  0.00           H  
HETATM   38  H   UNL     1       0.976  -2.602  -0.204  1.00  0.00           H  
HETATM   39  H   UNL     1       1.942  -2.244  -1.653  1.00  0.00           H  
HETATM   40  H   UNL     1       2.858  -2.036   1.256  1.00  0.00           H  
HETATM   41  H   UNL     1       3.440  -3.187   0.023  1.00  0.00           H  
HETATM   42  H   UNL     1       4.171  -1.205  -1.371  1.00  0.00           H  
HETATM   43  H   UNL     1       4.792   1.554  -1.032  1.00  0.00           H  
HETATM   44  H   UNL     1       4.762   1.932   0.715  1.00  0.00           H  
HETATM   45  H   UNL     1       5.317  -1.402   1.469  1.00  0.00           H  
HETATM   46  H   UNL     1       6.082  -1.929  -0.065  1.00  0.00           H  
HETATM   47  H   UNL     1       3.944  -0.080   2.236  1.00  0.00           H  
HETATM   48  H   UNL     1       2.746   1.195   1.906  1.00  0.00           H  
HETATM   49  H   UNL     1       2.295  -0.518   1.729  1.00  0.00           H  
HETATM   50  H   UNL     1       0.334   1.506   1.698  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.068   2.520   1.280  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.307   0.819   1.748  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.154   1.282   1.701  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.523   1.616   1.474  1.00  0.00           H  
CONECT    1   11    2   26   27                                       
CONECT    2    1    3   28   29                                       
CONECT    3    5    2    4   30                                       
CONECT    4    3   22                                                 
CONECT    5    6    3   31   32                                       
CONECT    6    7   11   20    5                                       
CONECT    7    8    6   33   34                                       
CONECT    8    9    7   35   36                                       
CONECT    9   15    8   10   37                                       
CONECT   10    9   12   11   11                                       
CONECT   11   10   10    6    1                                       
CONECT   12   13   10   38   39                                       
CONECT   13   14   12   40   41                                       
CONECT   14   18   15   13   42                                       
CONECT   15   16   14    9   19                                       
CONECT   16   17   15   43   44                                       
CONECT   17   21   21   16   18                                       
CONECT   18   17   14   45   46                                       
CONECT   19   15   47   48   49                                       
CONECT   20    6   50   51   52                                       
CONECT   21   17   17                                                 
CONECT   22    4   25   23   23                                       
CONECT   22   24   24                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   22   53   54                                            
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
