COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.229   2.245   0.084  1.00  0.00           C  
HETATM    2  C   UNL     1       3.874   1.606   1.258  1.00  0.00           C  
HETATM    3  C   UNL     1       3.752   1.782  -1.127  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.035  -0.155   1.435  1.00  0.00           C  
HETATM    5  C   UNL     1       3.041   0.504   1.219  1.00  0.00           C  
HETATM    6  C   UNL     1       2.923   0.676  -1.166  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.739  -0.624   1.330  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.862  -0.454  -1.055  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.751   0.161   0.296  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.165   0.012  -0.953  1.00  0.00           C  
HETATM   11  C   UNL     1       2.563   0.040   0.007  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.153  -0.773   0.087  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.141   0.657   0.408  1.00  0.00           N1+
HETATM   14  O   UNL     1      -4.771   0.935  -0.597  1.00  0.00           O1-
HETATM   15  O   UNL     1      -4.654   0.787   1.504  1.00  0.00           O  
HETATM   16  O   UNL     1       1.630  -1.919  -1.344  1.00  0.00           O  
HETATM   17  O   UNL     1       1.757  -2.103   1.146  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.865   0.327  -2.075  1.00  0.00           O  
HETATM   19  S   UNL     1       1.501  -1.365  -0.042  1.00  0.00           S  
HETATM   20  H   UNL     1       4.877   3.109   0.115  1.00  0.00           H  
HETATM   21  H   UNL     1       4.247   1.969   2.204  1.00  0.00           H  
HETATM   22  H   UNL     1       4.026   2.283  -2.043  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.491  -0.040   2.407  1.00  0.00           H  
HETATM   24  H   UNL     1       2.760   0.007   2.136  1.00  0.00           H  
HETATM   25  H   UNL     1       2.549   0.314  -2.113  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.183  -0.874   2.222  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.404  -0.571  -2.026  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.368  -0.411  -2.445  1.00  0.00           H  
CONECT    1    2    2    3   20                                       
CONECT    2    5    1    1   21                                       
CONECT    3    6    6    1   22                                       
CONECT    4    7    7    9   23                                       
CONECT    5   11   11    2   24                                       
CONECT    6   11    3    3   25                                       
CONECT    7   12    4    4   26                                       
CONECT    8   12   12   10   27                                       
CONECT    9   10   10    4   13                                       
CONECT   10    8   18    9    9                                       
CONECT   11   19    5    5    6                                       
CONECT   12   19    8    8    7                                       
CONECT   13    9   15   15   14                                       
CONECT   14   13                                                      
CONECT   15   13   13                                                 
CONECT   16   19   19                                                 
CONECT   17   19   19                                                 
CONECT   18   10   28                                                 
CONECT   19   16   16   17   17                                       
CONECT   19   11   12                                                 
CONECT   20    1                                                      
CONECT   21    2                                                      
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    8                                                      
CONECT   28   18                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
