COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.588   0.964   0.651  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.859   1.145  -0.428  1.00  0.00           C  
HETATM    3  C   UNL     1       1.447  -1.188  -0.088  1.00  0.00           C  
HETATM    4  C   UNL     1       2.719  -0.692  -0.043  1.00  0.00           C  
HETATM    5  C   UNL     1       2.945   0.626   0.345  1.00  0.00           C  
HETATM    6  C   UNL     1       1.889   1.452   0.691  1.00  0.00           C  
HETATM    7  C   UNL     1       4.756   1.489  -0.787  1.00  0.00           C  
HETATM    8  C   UNL     1       6.197   1.926  -0.842  1.00  0.00           C  
HETATM    9  C   UNL     1       3.883  -1.576  -0.411  1.00  0.00           C  
HETATM   10  C   UNL     1       4.471  -2.199   0.857  1.00  0.00           C  
HETATM   11  C   UNL     1       5.653  -3.096   0.484  1.00  0.00           C  
HETATM   12  C   UNL     1       0.373  -0.368   0.253  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.018  -0.859   0.200  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.068   0.174   0.294  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.701   1.427   0.681  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.761   2.495   0.760  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.476  -0.141  -0.024  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.646   0.254  -0.361  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.716  -1.058  -0.604  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.454   0.718  -0.058  1.00  0.00           N  
HETATM   21  O   UNL     1      -0.447   1.753   0.994  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.282  -2.044   0.087  1.00  0.00           O  
HETATM   23  O   UNL     1       4.214   1.108   0.382  1.00  0.00           O  
HETATM   24  O   UNL     1       4.087   1.481  -1.793  1.00  0.00           O  
HETATM   25  S   UNL     1      -4.100  -1.739  -0.426  1.00  0.00           S  
HETATM   26  H   UNL     1      -7.335   1.186   0.551  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.556   2.149  -0.727  1.00  0.00           H  
HETATM   28  H   UNL     1      -7.563   0.747  -1.159  1.00  0.00           H  
HETATM   29  H   UNL     1       1.274  -2.211  -0.387  1.00  0.00           H  
HETATM   30  H   UNL     1       2.075   2.472   0.991  1.00  0.00           H  
HETATM   31  H   UNL     1       6.455   2.196  -1.866  1.00  0.00           H  
HETATM   32  H   UNL     1       6.340   2.789  -0.192  1.00  0.00           H  
HETATM   33  H   UNL     1       6.837   1.110  -0.509  1.00  0.00           H  
HETATM   34  H   UNL     1       3.542  -2.366  -1.080  1.00  0.00           H  
HETATM   35  H   UNL     1       4.647  -0.981  -0.911  1.00  0.00           H  
HETATM   36  H   UNL     1       4.812  -1.408   1.526  1.00  0.00           H  
HETATM   37  H   UNL     1       3.707  -2.794   1.357  1.00  0.00           H  
HETATM   38  H   UNL     1       5.312  -3.887  -0.185  1.00  0.00           H  
HETATM   39  H   UNL     1       6.417  -2.501  -0.017  1.00  0.00           H  
HETATM   40  H   UNL     1       6.071  -3.540   1.387  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.267   2.434   1.723  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.298   3.476   0.653  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.486   2.346  -0.041  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.609  -1.607  -0.865  1.00  0.00           H  
CONECT    1    6    6   12   21                                       
CONECT    2   18   26   27   28                                       
CONECT    3    4   12   12   29                                       
CONECT    4    9    5    5    3                                       
CONECT    5   23    4    4    6                                       
CONECT    6    5    1    1   30                                       
CONECT    7    8   23   24   24                                       
CONECT    8    7   31   32   33                                       
CONECT    9   10    4   34   35                                       
CONECT   10   11    9   36   37                                       
CONECT   11   10   38   39   40                                       
CONECT   12    3    3    1   13                                       
CONECT   13   12   22   22   14                                       
CONECT   14   13   15   15   17                                       
CONECT   15   21   14   14   16                                       
CONECT   16   15   41   42   43                                       
CONECT   17   14   25   20   20                                       
CONECT   18   20   19   19    2                                       
CONECT   19   25   18   18   44                                       
CONECT   20   17   17   18                                            
CONECT   21    1   15                                                 
CONECT   22   13   13                                                 
CONECT   23    7    5                                                 
CONECT   24    7    7                                                 
CONECT   25   17   19                                                 
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   19                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
