COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.216  -0.198  -1.445  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.469  -1.243  -1.957  1.00  0.00           C  
HETATM    3  C   UNL     1       0.128  -1.122  -3.197  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.018   0.043  -3.925  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.765   1.087  -3.414  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.368   0.965  -2.176  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.868  -0.330  -0.093  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.906   0.164   0.987  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.559   0.033   2.339  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.415  -1.098   3.046  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.211   0.946   2.787  1.00  0.00           O  
HETATM   12  N   UNL     1       0.318  -0.638   0.956  1.00  0.00           N  
HETATM   13  S   UNL     1       1.778   0.088   0.671  1.00  0.00           S  
HETATM   14  N   UNL     1       2.018   1.204   1.870  1.00  0.00           N  
HETATM   15  O   UNL     1       1.609   0.837  -0.524  1.00  0.00           O  
HETATM   16  O   UNL     1       2.758  -0.919   0.878  1.00  0.00           O  
HETATM   17  H   UNL     1      -0.354  -2.153  -1.388  1.00  0.00           H  
HETATM   18  H   UNL     1       0.712  -1.938  -3.597  1.00  0.00           H  
HETATM   19  H   UNL     1       0.449   0.137  -4.894  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.881   1.998  -3.983  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.951   1.781  -1.776  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.115  -1.375   0.090  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.780   0.267  -0.070  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.659   1.210   0.803  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.834  -1.183   3.914  1.00  0.00           H  
HETATM   26  H   UNL     1       0.273  -1.596   1.102  1.00  0.00           H  
HETATM   27  H   UNL     1       2.827   1.739   1.879  1.00  0.00           H  
HETATM   28  H   UNL     1       1.349   1.324   2.562  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   17                                       
CONECT    3    2    4    4   18                                       
CONECT    4    3    3    5   19                                       
CONECT    5    4    6    6   20                                       
CONECT    6    1    5    5   21                                       
CONECT    7    1    8   22   23                                       
CONECT    8    7    9   12   24                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9   25                                                 
CONECT   11    9    9                                                 
CONECT   12    8   13   26                                            
CONECT   13   12   14   15   15                                       
CONECT   13   16   16                                                 
CONECT   14   13   27   28                                            
CONECT   15   13   13                                                 
CONECT   16   13   13                                                 
CONECT   17    2                                                      
CONECT   18    3                                                      
CONECT   19    4                                                      
CONECT   20    5                                                      
CONECT   21    6                                                      
CONECT   22    7                                                      
CONECT   23    7                                                      
CONECT   24    8                                                      
CONECT   25   10                                                      
CONECT   26   12                                                      
CONECT   27   14                                                      
CONECT   28   14                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
