COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.878  -1.041  -0.600  1.00  0.00           C  
HETATM    2  N   UNL     1       4.541  -2.115   0.218  1.00  0.00           N  
HETATM    3  O   UNL     1       4.447   0.108   1.287  1.00  0.00           O  
HETATM    4  S   UNL     1       4.864  -0.497   0.071  1.00  0.00           S  
HETATM    5  C   UNL     1       2.641   0.113  -0.657  1.00  0.00           C  
HETATM    6  O   UNL     1       6.190  -0.397  -0.432  1.00  0.00           O  
HETATM    7  C   UNL     1       2.063   1.335  -0.346  1.00  0.00           C  
HETATM    8  O   UNL     1       3.950   0.048  -1.017  1.00  0.00           O  
HETATM    9  C   UNL     1       0.735   1.388   0.022  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.028   0.230   0.086  1.00  0.00           C  
HETATM   11  C   UNL     1       0.539  -0.986  -0.238  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.233  -2.279  -0.220  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.544  -2.131   0.552  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.257  -0.876   0.048  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.460   0.345   0.520  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.100   1.643   0.048  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.566   1.727   0.513  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.290   0.508  -0.026  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.650  -0.747   0.624  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.641  -1.856   0.289  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.021  -1.158   0.194  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.758   0.359   0.389  1.00  0.00           C  
HETATM   23  O   UNL     1      -6.606   1.133  -0.461  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.145   0.443  -1.547  1.00  0.00           C  
HETATM   25  C   UNL     1       2.882   2.598  -0.411  1.00  0.00           C  
HETATM   26  C   UNL     1       3.538   2.850   0.948  1.00  0.00           C  
HETATM   27  H   UNL     1      -1.474   0.354   1.610  1.00  0.00           H  
HETATM   28  H   UNL     1       2.766   2.956   1.711  1.00  0.00           H  
HETATM   29  H   UNL     1       4.185   2.010   1.201  1.00  0.00           H  
HETATM   30  H   UNL     1       4.131   3.764   0.902  1.00  0.00           H  
HETATM   31  H   UNL     1       2.328  -1.993  -0.842  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.545   2.486   0.458  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.066   1.685  -1.041  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.609   1.730   1.602  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.027   2.634   0.122  1.00  0.00           H  
HETATM   36  H   UNL     1       0.285   2.339   0.264  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.589  -0.614   1.704  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.383  -2.318  -0.664  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.651  -2.605   1.081  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.464  -1.338  -0.786  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.682  -1.528   0.977  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.454  -2.576  -1.245  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.893   0.642   1.433  1.00  0.00           H  
HETATM   44  H   UNL     1       0.373  -3.051   0.252  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.172  -3.005   0.380  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.090   0.508  -1.814  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.334  -2.032   1.617  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.554  -0.499  -1.911  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.687   1.274  -2.000  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.295  -0.887  -1.041  1.00  0.00           H  
HETATM   51  H   UNL     1       3.654   2.492  -1.173  1.00  0.00           H  
HETATM   52  H   UNL     1       2.235   3.438  -0.663  1.00  0.00           H  
HETATM   53  H   UNL     1       3.980  -2.558  -0.438  1.00  0.00           H  
HETATM   54  H   UNL     1       4.912  -2.618   0.959  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.550   1.013  -0.289  1.00  0.00           H  
CONECT    1   11   11   31    5                                       
CONECT    2    4   53   54                                            
CONECT    3    4    4                                                 
CONECT    4    2    3    3    8                                       
CONECT    4    6    6                                                 
CONECT    5    1    7    7    8                                       
CONECT    6    4    4                                                 
CONECT    7    5    5    9   25                                       
CONECT    8    4    5                                                 
CONECT    9    7   10   10   36                                       
CONECT   10    9    9   15   11                                       
CONECT   11    1    1   10   12                                       
CONECT   12   11   13   44   42                                       
CONECT   13   12   45   47   14                                       
CONECT   14   13   19   15   50                                       
CONECT   15   10   14   27   16                                       
CONECT   16   15   32   17   33                                       
CONECT   17   16   18   35   34                                       
CONECT   18   17   22   19   24                                       
CONECT   19   14   18   20   37                                       
CONECT   20   19   21   38   39                                       
CONECT   21   20   40   41   22                                       
CONECT   22   18   21   43   23                                       
CONECT   23   22   55                                                 
CONECT   24   18   49   48   46                                       
CONECT   25    7   51   26   52                                       
CONECT   26   25   28   30   29                                       
CONECT   27   15                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   26                                                      
CONECT   31    1                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36    9                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   12                                                      
CONECT   43   22                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   24                                                      
CONECT   47   13                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   14                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53    2                                                      
CONECT   54    2                                                      
CONECT   55   23                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
