COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.329   0.929  -1.075  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.186   0.006  -0.203  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.548  -1.383  -0.151  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.181  -1.297   0.529  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.254  -0.407  -0.303  1.00  0.00           C  
HETATM    6  C   UNL     1       1.105  -0.299   0.368  1.00  0.00           C  
HETATM    7  C   UNL     1       1.858   0.938  -0.139  1.00  0.00           C  
HETATM    8  C   UNL     1       1.055   2.182   0.257  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.338   2.064  -0.289  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.911   0.922  -0.531  1.00  0.00           C  
HETATM   11  C   UNL     1       1.900  -1.581   0.136  1.00  0.00           C  
HETATM   12  C   UNL     1       3.210   0.965   0.547  1.00  0.00           C  
HETATM   13  C   UNL     1       3.314  -1.490   0.731  1.00  0.00           C  
HETATM   14  C   UNL     1       3.994  -0.294   0.089  1.00  0.00           C  
HETATM   15  C   UNL     1       3.991  -0.431  -1.435  1.00  0.00           C  
HETATM   16  C   UNL     1       5.406   0.019   0.597  1.00  0.00           C  
HETATM   17  C   UNL     1       4.141   2.114   0.174  1.00  0.00           C  
HETATM   18  C   UNL     1       5.571   1.526   0.259  1.00  0.00           C  
HETATM   19  O   UNL     1       7.143  -1.568   0.477  1.00  0.00           O  
HETATM   20  C   UNL     1       6.432  -0.807  -0.135  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.060  -1.069  -1.670  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.498  -0.092  -0.760  1.00  0.00           O  
HETATM   23  S   UNL     1      -5.608  -0.167   0.279  1.00  0.00           S  
HETATM   24  O   UNL     1      -6.810  -0.421  -0.435  1.00  0.00           O  
HETATM   25  O   UNL     1      -5.128  -1.010   1.318  1.00  0.00           O  
HETATM   26  N   UNL     1      -5.766   1.344   0.938  1.00  0.00           N  
HETATM   27  H   UNL     1      -2.330   0.567  -2.103  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.731   1.942  -1.042  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.249   0.415   0.805  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.193  -2.057   0.413  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.425  -1.763  -1.165  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.297  -0.870   1.525  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.751  -2.296   0.609  1.00  0.00           H  
HETATM   34  H   UNL     1       0.950  -0.191   1.441  1.00  0.00           H  
HETATM   35  H   UNL     1       1.985   0.885  -1.220  1.00  0.00           H  
HETATM   36  H   UNL     1       1.014   2.258   1.344  1.00  0.00           H  
HETATM   37  H   UNL     1       1.533   3.071  -0.154  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.891   2.970  -0.491  1.00  0.00           H  
HETATM   39  H   UNL     1       1.373  -2.415   0.598  1.00  0.00           H  
HETATM   40  H   UNL     1       1.977  -1.761  -0.937  1.00  0.00           H  
HETATM   41  H   UNL     1       3.075   0.938   1.628  1.00  0.00           H  
HETATM   42  H   UNL     1       3.254  -1.349   1.810  1.00  0.00           H  
HETATM   43  H   UNL     1       3.871  -2.400   0.504  1.00  0.00           H  
HETATM   44  H   UNL     1       2.963  -0.476  -1.794  1.00  0.00           H  
HETATM   45  H   UNL     1       4.494   0.429  -1.878  1.00  0.00           H  
HETATM   46  H   UNL     1       4.516  -1.344  -1.719  1.00  0.00           H  
HETATM   47  H   UNL     1       5.474  -0.145   1.673  1.00  0.00           H  
HETATM   48  H   UNL     1       3.933   2.455  -0.840  1.00  0.00           H  
HETATM   49  H   UNL     1       4.027   2.937   0.879  1.00  0.00           H  
HETATM   50  H   UNL     1       6.135   2.026   1.047  1.00  0.00           H  
HETATM   51  H   UNL     1       6.081   1.641  -0.697  1.00  0.00           H  
HETATM   52  H   UNL     1       6.531  -0.720  -1.207  1.00  0.00           H  
HETATM   53  H   UNL     1       0.371  -2.060  -1.535  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.024  -1.157  -2.171  1.00  0.00           H  
HETATM   55  H   UNL     1       0.610  -0.460  -2.276  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.609   1.616   1.333  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.014   1.958   0.929  1.00  0.00           H  
CONECT    1   10    2   27   28                                       
CONECT    2    3    1   22   29                                       
CONECT    3    4    2   30   31                                       
CONECT    4    5    3   32   33                                       
CONECT    5   21    6    4   10                                       
CONECT    6   11    5    7   34                                       
CONECT    7    6   12    8   35                                       
CONECT    8    7    9   36   37                                       
CONECT    9   10   10    8   38                                       
CONECT   10    5    1    9    9                                       
CONECT   11   13    6   39   40                                       
CONECT   12   14    7   17   41                                       
CONECT   13   11   14   42   43                                       
CONECT   14   15   13   16   12                                       
CONECT   15   14   44   45   46                                       
CONECT   16   20   14   18   47                                       
CONECT   17   18   12   48   49                                       
CONECT   18   16   17   50   51                                       
CONECT   19   20   20                                                 
CONECT   20   19   19   16   52                                       
CONECT   21    5   53   54   55                                       
CONECT   22    2   23                                                 
CONECT   23   22   26   24   24                                       
CONECT   23   25   25                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   56   57                                            
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
