COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.526   0.868  -0.566  1.00  0.00           C  
HETATM    2  C   UNL     1       2.344  -1.343   0.387  1.00  0.00           C  
HETATM    3  C   UNL     1       4.522  -0.143   0.530  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.587  -2.028   1.872  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.064  -1.107   0.768  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.638  -0.666   1.104  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.440   1.648   0.083  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.413   2.364   0.963  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.729   3.861   1.001  1.00  0.00           C  
HETATM   10  C   UNL     1       0.458  -0.332  -0.688  1.00  0.00           C  
HETATM   11  C   UNL     1       1.207   0.799  -0.961  1.00  0.00           C  
HETATM   12  C   UNL     1       3.107  -0.207   0.110  1.00  0.00           C  
HETATM   13  C   UNL     1       1.023  -1.396  -0.009  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.137   0.215   0.047  1.00  0.00           N  
HETATM   15  O   UNL     1      -1.365   0.492  -2.281  1.00  0.00           O  
HETATM   16  O   UNL     1      -1.561  -1.788  -1.275  1.00  0.00           O  
HETATM   17  O   UNL     1       5.078  -1.182   1.182  1.00  0.00           O  
HETATM   18  O   UNL     1       5.183   0.847   0.288  1.00  0.00           O  
HETATM   19  S   UNL     1      -1.230  -0.408  -1.190  1.00  0.00           S  
HETATM   20  H   UNL     1       3.111   1.750  -0.783  1.00  0.00           H  
HETATM   21  H   UNL     1       2.786  -2.178   0.909  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.944  -2.904   1.950  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.587  -1.492   2.822  1.00  0.00           H  
HETATM   24  H   UNL     1      -5.603  -2.342   1.633  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.064  -1.643  -0.182  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.707  -0.231   0.690  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.638  -0.130   2.054  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.995  -1.542   1.182  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.438   1.799   0.494  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.398   2.054  -0.928  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.455   1.958   1.974  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.414   2.214   0.552  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.686   4.267  -0.010  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.727   4.011   1.411  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.997   4.371   1.628  1.00  0.00           H  
HETATM   36  H   UNL     1       0.757   1.630  -1.484  1.00  0.00           H  
HETATM   37  H   UNL     1       0.433  -2.276   0.200  1.00  0.00           H  
HETATM   38  H   UNL     1       6.007  -1.093   1.437  1.00  0.00           H  
CONECT    1   11   11   12   20                                       
CONECT    2   12   12   13   21                                       
CONECT    3   18   18   12   17                                       
CONECT    4    5   22   23   24                                       
CONECT    5    6    4   25   26                                       
CONECT    6   14    5   27   28                                       
CONECT    7    8   14   29   30                                       
CONECT    8    9    7   31   32                                       
CONECT    9    8   33   34   35                                       
CONECT   10   11   19   13   13                                       
CONECT   11    1    1   10   36                                       
CONECT   12    1    3    2    2                                       
CONECT   13   10   10    2   37                                       
CONECT   14   19    7    6                                            
CONECT   15   19   19                                                 
CONECT   16   19   19                                                 
CONECT   17    3   38                                                 
CONECT   18    3    3                                                 
CONECT   19   16   16   10   14                                       
CONECT   19   15   15                                                 
CONECT   20    1                                                      
CONECT   21    2                                                      
CONECT   22    4                                                      
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   17                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
