COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -0.241   0.033  -1.476  1.00  0.00           C  
HETATM    2  C   UNL     1       3.133   0.768   1.034  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.348   0.943  -0.441  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.100  -0.373   0.740  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.177  -0.624  -0.102  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.420  -1.432   1.327  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.816  -2.730   1.073  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.888  -2.977   0.234  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.567  -1.925  -0.352  1.00  0.00           C  
HETATM   10  C   UNL     1       0.739   1.190   0.380  1.00  0.00           C  
HETATM   11  C   UNL     1       1.924   0.526   0.161  1.00  0.00           C  
HETATM   12  N   UNL     1       3.250  -1.056  -1.086  1.00  0.00           N  
HETATM   13  N   UNL     1      -2.699   0.942   0.990  1.00  0.00           N  
HETATM   14  C   UNL     1       0.946  -0.639  -1.696  1.00  0.00           C  
HETATM   15  O   UNL     1       5.344  -1.479  -0.577  1.00  0.00           O  
HETATM   16  C   UNL     1       4.331  -0.856  -0.322  1.00  0.00           C  
HETATM   17  C   UNL     1       2.041  -0.391  -0.878  1.00  0.00           C  
HETATM   18  N   UNL     1       4.351   0.004   0.712  1.00  0.00           N  
HETATM   19  C   UNL     1       5.568   0.179   1.509  1.00  0.00           C  
HETATM   20  S   UNL     1      -1.869   1.789  -0.166  1.00  0.00           S  
HETATM   21  O   UNL     1      -1.533   3.040   0.418  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.619   1.668  -1.367  1.00  0.00           O  
HETATM   23  H   UNL     1      -1.092  -0.157  -2.114  1.00  0.00           H  
HETATM   24  H   UNL     1       3.378   1.829   0.983  1.00  0.00           H  
HETATM   25  H   UNL     1       2.856   0.539   2.063  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.708   0.198  -0.559  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.583  -1.240   1.981  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.287  -3.554   1.529  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.195  -3.993   0.037  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.404  -2.120  -1.006  1.00  0.00           H  
HETATM   31  H   UNL     1       0.658   1.901   1.189  1.00  0.00           H  
HETATM   32  H   UNL     1       3.309  -1.692  -1.816  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.907   1.358   1.841  1.00  0.00           H  
HETATM   34  H   UNL     1       1.023  -1.352  -2.503  1.00  0.00           H  
HETATM   35  H   UNL     1       5.565  -0.531   2.336  1.00  0.00           H  
HETATM   36  H   UNL     1       6.442   0.001   0.881  1.00  0.00           H  
HETATM   37  H   UNL     1       5.603   1.195   1.901  1.00  0.00           H  
CONECT    1    3    3   14   23                                       
CONECT    2   18   11   24   25                                       
CONECT    3   10   20    1    1                                       
CONECT    4    5   13    6    6                                       
CONECT    5    9    9    4   26                                       
CONECT    6    4    4    7   27                                       
CONECT    7    8    8    6   28                                       
CONECT    8    9    7    7   29                                       
CONECT    9    5    5    8   30                                       
CONECT   10   11   11    3   31                                       
CONECT   11    2   10   10   17                                       
CONECT   12   16   17   32                                            
CONECT   13   20    4   33                                            
CONECT   14   17   17    1   34                                       
CONECT   15   16   16                                                 
CONECT   16   18   15   15   12                                       
CONECT   17   11   12   14   14                                       
CONECT   18   19    2   16                                            
CONECT   19   18   35   36   37                                       
CONECT   20   22   22    3   21                                       
CONECT   20   21   13                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    2                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
