COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.421   1.215  -0.029  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.643   0.003  -0.064  1.00  0.00           C  
HETATM    3  C   UNL     1       0.430  -1.195  -0.033  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.795  -1.252  -0.644  1.00  0.00           O  
HETATM    5  C   UNL     1       2.609   0.018  -0.002  1.00  0.00           C  
HETATM    6  C   UNL     1       3.321  -1.179   0.011  1.00  0.00           C  
HETATM    7  C   UNL     1       4.698   1.176   0.029  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.950  -1.194  -0.062  1.00  0.00           C  
HETATM    9  C   UNL     1       1.125   0.013  -0.022  1.00  0.00           C  
HETATM   10  C   UNL     1       5.331  -0.054   0.046  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.916  -0.014   1.488  1.00  0.00           N  
HETATM   12  C   UNL     1       3.314   1.224   0.010  1.00  0.00           C  
HETATM   13  S   UNL     1      -3.405  -0.004  -0.087  1.00  0.00           S  
HETATM   14  C   UNL     1      -0.959   1.205  -0.048  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.804   1.248  -0.630  1.00  0.00           O  
HETATM   16  N   UNL     1       4.638  -1.176   0.034  1.00  0.00           N  
HETATM   17  H   UNL     1       0.955   2.155  -0.016  1.00  0.00           H  
HETATM   18  H   UNL     1       0.970  -2.130  -0.032  1.00  0.00           H  
HETATM   19  H   UNL     1       2.788  -2.119   0.003  1.00  0.00           H  
HETATM   20  H   UNL     1       5.276   2.088   0.038  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.489  -2.129  -0.083  1.00  0.00           H  
HETATM   22  H   UNL     1       6.410  -0.095   0.060  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.759   0.401   1.727  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.372  -0.436   2.171  1.00  0.00           H  
HETATM   25  H   UNL     1       2.793   2.170   0.004  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.505   2.136  -0.050  1.00  0.00           H  
CONECT    1    9   14   14   17                                       
CONECT    2    8    8   14   13                                       
CONECT    3    9    9    8   18                                       
CONECT    4   13   13                                                 
CONECT    5    6   12   12    9                                       
CONECT    6   16   16    5   19                                       
CONECT    7   10   10   12   20                                       
CONECT    8    3    2    2   21                                       
CONECT    9    5    3    3    1                                       
CONECT   10   16    7    7   22                                       
CONECT   11   13   23   24                                            
CONECT   12    5    5    7   25                                       
CONECT   13    2   11   15   15                                       
CONECT   13    4    4                                                 
CONECT   14    1    1    2   26                                       
CONECT   15   13   13                                                 
CONECT   16    6    6   10                                            
CONECT   17    1                                                      
CONECT   18    3                                                      
CONECT   19    6                                                      
CONECT   20    7                                                      
CONECT   21    8                                                      
CONECT   22   10                                                      
CONECT   23   11                                                      
CONECT   24   11                                                      
CONECT   25   12                                                      
CONECT   26   14                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
