COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.875  -0.221   0.312  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.081  -1.012   1.584  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.347  -0.345   0.442  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.726  -0.088  -0.040  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.177   0.766  -1.755  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.665   0.297  -0.667  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.805  -0.451   0.744  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.108  -0.206   0.282  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.230  -0.561   1.051  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.480  -0.308   0.574  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.602   0.647  -1.442  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.296   0.410  -0.981  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.924   0.527  -1.287  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.268   0.062  -0.210  1.00  0.00           N  
HETATM   15  S   UNL     1       0.669  -1.086   1.771  1.00  0.00           S  
HETATM   16  C   UNL     1       2.208   0.152  -0.285  1.00  0.00           C  
HETATM   17  O   UNL     1       3.089  -0.972  -0.223  1.00  0.00           O  
HETATM   18  C   UNL     1       4.379  -0.733  -0.788  1.00  0.00           C  
HETATM   19  C   UNL     1       5.222  -2.006  -0.692  1.00  0.00           C  
HETATM   20  O   UNL     1       4.637  -3.027  -1.503  1.00  0.00           O  
HETATM   21  C   UNL     1       5.071   0.396  -0.020  1.00  0.00           C  
HETATM   22  O   UNL     1       6.338   0.675  -0.619  1.00  0.00           O  
HETATM   23  C   UNL     1       4.192   1.650  -0.071  1.00  0.00           C  
HETATM   24  O   UNL     1       4.795   2.688   0.706  1.00  0.00           O  
HETATM   25  C   UNL     1       2.812   1.317   0.504  1.00  0.00           C  
HETATM   26  O   UNL     1       1.961   2.459   0.395  1.00  0.00           O  
HETATM   27  H   UNL     1      -1.812  -1.427   2.262  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.313   1.236  -2.718  1.00  0.00           H  
HETATM   29  H   UNL     1      -8.667   0.486  -1.022  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.647  -0.920   1.704  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.102  -1.031   2.015  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.341  -0.582   1.166  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.761   1.110  -2.405  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.070   0.808  -1.885  1.00  0.00           H  
HETATM   35  H   UNL     1       2.070   0.449  -1.324  1.00  0.00           H  
HETATM   36  H   UNL     1       4.270  -0.447  -1.835  1.00  0.00           H  
HETATM   37  H   UNL     1       6.234  -1.800  -1.041  1.00  0.00           H  
HETATM   38  H   UNL     1       5.257  -2.341   0.345  1.00  0.00           H  
HETATM   39  H   UNL     1       5.120  -3.865  -1.490  1.00  0.00           H  
HETATM   40  H   UNL     1       5.216   0.095   1.017  1.00  0.00           H  
HETATM   41  H   UNL     1       6.832   1.382  -0.182  1.00  0.00           H  
HETATM   42  H   UNL     1       4.087   1.980  -1.104  1.00  0.00           H  
HETATM   43  H   UNL     1       4.291   3.513   0.718  1.00  0.00           H  
HETATM   44  H   UNL     1       2.912   1.034   1.552  1.00  0.00           H  
HETATM   45  H   UNL     1       1.069   2.319   0.740  1.00  0.00           H  
CONECT    1   16   15   14   14                                       
CONECT    2   15    3    3   27                                       
CONECT    3    2    2   14    4                                       
CONECT    4    3    7    7   13                                       
CONECT    5   13   13   12   28                                       
CONECT    6   10   10   11   29                                       
CONECT    7    4    4    8   30                                       
CONECT    8    7    9    9   12                                       
CONECT    9    8    8   10   31                                       
CONECT   10    9    6    6   32                                       
CONECT   11   12   12    6   33                                       
CONECT   12    8    5   11   11                                       
CONECT   13    4    5    5   34                                       
CONECT   14    1    1    3                                            
CONECT   15    1    2                                                 
CONECT   16   25   17    1   35                                       
CONECT   17   18   16                                                 
CONECT   18   21   19   17   36                                       
CONECT   19   20   18   37   38                                       
CONECT   20   19   39                                                 
CONECT   21   22   23   18   40                                       
CONECT   22   21   41                                                 
CONECT   23   24   21   25   42                                       
CONECT   24   23   43                                                 
CONECT   25   23   26   16   44                                       
CONECT   26   25   45                                                 
CONECT   27    2                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   16                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
