COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.072   1.407  -0.035  1.00  0.00           O  
HETATM    2  S   UNL     1      -6.080   0.003   0.183  1.00  0.00           S  
HETATM    3  O   UNL     1      -7.140  -0.731   0.780  1.00  0.00           O  
HETATM    4  O   UNL     1      -5.856  -0.629  -1.183  1.00  0.00           O  
HETATM    5  N   UNL     1      -4.739  -0.317   1.101  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.502   0.224   0.743  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.687   0.800   1.709  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.465   1.333   1.351  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.052   1.295   0.032  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.863   0.727  -0.933  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.084   0.187  -0.581  1.00  0.00           C  
HETATM   12  C   UNL     1       0.283   1.878  -0.355  1.00  0.00           C  
HETATM   13  C   UNL     1       1.385   0.851  -0.088  1.00  0.00           C  
HETATM   14  C   UNL     1       2.731   1.482  -0.337  1.00  0.00           C  
HETATM   15  N   UNL     1       2.956   2.736  -0.595  1.00  0.00           N  
HETATM   16  O   UNL     1       4.145   2.926  -0.745  1.00  0.00           O  
HETATM   17  C   UNL     1       4.810   1.777  -0.593  1.00  0.00           C  
HETATM   18  C   UNL     1       6.301   1.583  -0.701  1.00  0.00           C  
HETATM   19  N   UNL     1       3.918   0.851  -0.338  1.00  0.00           N  
HETATM   20  C   UNL     1       1.206  -0.329  -1.008  1.00  0.00           C  
HETATM   21  N   UNL     1       0.219  -0.519  -1.831  1.00  0.00           N  
HETATM   22  O   UNL     1       0.367  -1.564  -2.430  1.00  0.00           O  
HETATM   23  C   UNL     1       1.497  -2.157  -2.033  1.00  0.00           C  
HETATM   24  C   UNL     1       2.044  -3.470  -2.532  1.00  0.00           C  
HETATM   25  N   UNL     1       2.041  -1.375  -1.132  1.00  0.00           N  
HETATM   26  C   UNL     1       1.303   0.381   1.366  1.00  0.00           C  
HETATM   27  C   UNL     1       2.389  -0.630   1.629  1.00  0.00           C  
HETATM   28  C   UNL     1       3.629  -0.213   2.076  1.00  0.00           C  
HETATM   29  C   UNL     1       4.625  -1.141   2.317  1.00  0.00           C  
HETATM   30  C   UNL     1       4.381  -2.486   2.112  1.00  0.00           C  
HETATM   31  C   UNL     1       3.141  -2.903   1.665  1.00  0.00           C  
HETATM   32  C   UNL     1       2.143  -1.976   1.428  1.00  0.00           C  
HETATM   33  H   UNL     1      -6.643  -0.438  -1.712  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.813  -0.879   1.888  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.009   0.830   2.740  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.831   1.781   2.102  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.537   0.699  -1.963  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.714  -0.261  -1.335  1.00  0.00           H  
HETATM   39  H   UNL     1       0.472   2.775   0.234  1.00  0.00           H  
HETATM   40  H   UNL     1       0.274   2.134  -1.414  1.00  0.00           H  
HETATM   41  H   UNL     1       6.777   2.537  -0.926  1.00  0.00           H  
HETATM   42  H   UNL     1       6.686   1.199   0.244  1.00  0.00           H  
HETATM   43  H   UNL     1       6.518   0.871  -1.498  1.00  0.00           H  
HETATM   44  H   UNL     1       1.371  -3.882  -3.283  1.00  0.00           H  
HETATM   45  H   UNL     1       3.027  -3.309  -2.974  1.00  0.00           H  
HETATM   46  H   UNL     1       2.130  -4.167  -1.699  1.00  0.00           H  
HETATM   47  H   UNL     1       1.433   1.235   2.031  1.00  0.00           H  
HETATM   48  H   UNL     1       0.330  -0.075   1.546  1.00  0.00           H  
HETATM   49  H   UNL     1       3.819   0.838   2.237  1.00  0.00           H  
HETATM   50  H   UNL     1       5.593  -0.815   2.666  1.00  0.00           H  
HETATM   51  H   UNL     1       5.159  -3.211   2.299  1.00  0.00           H  
HETATM   52  H   UNL     1       2.950  -3.954   1.504  1.00  0.00           H  
HETATM   53  H   UNL     1       1.175  -2.302   1.080  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2   33                                                 
CONECT    5    2    6   34                                            
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   35                                       
CONECT    8    7    9    9   36                                       
CONECT    9    8    8   10   12                                       
CONECT   10    9   11   11   37                                       
CONECT   11    6   10   10   38                                       
CONECT   12    9   13   39   40                                       
CONECT   13   12   14   20   26                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   19   19                                       
CONECT   18   17   41   42   43                                       
CONECT   19   14   17   17                                            
CONECT   20   13   21   21   25                                       
CONECT   21   20   20   22                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   25   25                                       
CONECT   24   23   44   45   46                                       
CONECT   25   20   23   23                                            
CONECT   26   13   27   47   48                                       
CONECT   27   26   28   28   32                                       
CONECT   28   27   27   29   49                                       
CONECT   29   28   30   30   50                                       
CONECT   30   29   29   31   51                                       
CONECT   31   30   32   32   52                                       
CONECT   32   27   31   31   53                                       
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
CONECT   53   32                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
