COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -2.072   2.700   0.419  1.00  0.00           S  
HETATM    2  O   UNL     1      -2.092   3.663  -0.627  1.00  0.00           O  
HETATM    3  O   UNL     1      -2.767   2.872   1.646  1.00  0.00           O  
HETATM    4  C   UNL     1       2.375  -1.700  -0.314  1.00  0.00           C  
HETATM    5  C   UNL     1       3.360  -3.667   0.392  1.00  0.00           C  
HETATM    6  C   UNL     1       4.309  -2.927   1.125  1.00  0.00           C  
HETATM    7  C   UNL     1       4.245  -1.574   1.103  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.739  -2.248   0.739  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.195  -1.117  -0.080  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.691   0.171   0.518  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.345   0.206   1.680  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.724  -1.099  -0.117  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.225  -2.331  -0.826  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.438  -3.141  -1.257  1.00  0.00           O  
HETATM   15  O   UNL     1      -6.543  -2.529  -0.978  1.00  0.00           O  
HETATM   16  C   UNL     1       3.186   0.497   0.345  1.00  0.00           C  
HETATM   17  C   UNL     1       3.408   1.025  -1.096  1.00  0.00           C  
HETATM   18  C   UNL     1       2.682   2.392  -1.056  1.00  0.00           C  
HETATM   19  C   UNL     1       1.709   2.268   0.133  1.00  0.00           C  
HETATM   20  C   UNL     1       0.273   2.489  -0.345  1.00  0.00           C  
HETATM   21  N   UNL     1       3.267  -0.965   0.376  1.00  0.00           N  
HETATM   22  N   UNL     1       2.426  -3.031  -0.303  1.00  0.00           N  
HETATM   23  N   UNL     1      -2.626   1.285  -0.238  1.00  0.00           N  
HETATM   24  N   UNL     1       3.402  -5.042   0.395  1.00  0.00           N  
HETATM   25  O   UNL     1       1.504  -1.138  -0.956  1.00  0.00           O  
HETATM   26  O   UNL     1       4.800   1.194  -1.369  1.00  0.00           O  
HETATM   27  O   UNL     1       3.618   3.449  -0.831  1.00  0.00           O  
HETATM   28  O   UNL     1       1.851   0.940   0.667  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.609   2.488   0.779  1.00  0.00           O  
HETATM   30  H   UNL     1       5.076  -3.430   1.694  1.00  0.00           H  
HETATM   31  H   UNL     1       4.961  -0.985   1.657  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.732  -2.321   0.727  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.084  -2.173   1.684  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.808  -1.223  -1.093  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.112  -1.082   0.901  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.064  -0.210  -0.650  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.816  -3.334  -1.439  1.00  0.00           H  
HETATM   38  H   UNL     1       3.912   0.936   1.030  1.00  0.00           H  
HETATM   39  H   UNL     1       2.947   0.362  -1.828  1.00  0.00           H  
HETATM   40  H   UNL     1       2.133   2.560  -1.982  1.00  0.00           H  
HETATM   41  H   UNL     1       1.962   3.003   0.897  1.00  0.00           H  
HETATM   42  H   UNL     1       0.205   3.447  -0.860  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.009   1.688  -1.029  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.903   1.257  -1.168  1.00  0.00           H  
HETATM   45  H   UNL     1       4.087  -5.505   0.903  1.00  0.00           H  
HETATM   46  H   UNL     1       2.747  -5.549  -0.110  1.00  0.00           H  
HETATM   47  H   UNL     1       4.990   1.523  -2.258  1.00  0.00           H  
HETATM   48  H   UNL     1       4.289   3.533  -1.523  1.00  0.00           H  
CONECT    1   23   29    3    3                                       
CONECT    1    2    2                                                 
CONECT    2    1    1                                                 
CONECT    3    1    1                                                 
CONECT    4   25   25   21   22                                       
CONECT    5   22   22    6   24                                       
CONECT    6    7    7    5   30                                       
CONECT    7   21    6    6   31                                       
CONECT    8    9   32   33                                            
CONECT    9   12    8   10   34                                       
CONECT   10    9   23   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   13    9   35   36                                       
CONECT   13   14   14   15   12                                       
CONECT   14   13   13                                                 
CONECT   15   13   37                                                 
CONECT   16   28   17   21   38                                       
CONECT   17   26   18   16   39                                       
CONECT   18   27   19   17   40                                       
CONECT   19   20   18   28   41                                       
CONECT   20   19   29   42   43                                       
CONECT   21   16    4    7                                            
CONECT   22    4    5    5                                            
CONECT   23   10    1   44                                            
CONECT   24    5   45   46                                            
CONECT   25    4    4                                                 
CONECT   26   17   47                                                 
CONECT   27   18   48                                                 
CONECT   28   19   16                                                 
CONECT   29   20    1                                                 
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
