COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.177  -2.838   0.534  1.00  0.00           O  
HETATM    2  C   UNL     1       4.874  -1.532   0.463  1.00  0.00           C  
HETATM    3  O   UNL     1       5.469  -0.815  -0.307  1.00  0.00           O  
HETATM    4  C   UNL     1       3.793  -0.959   1.343  1.00  0.00           C  
HETATM    5  C   UNL     1       3.652   0.516   1.070  1.00  0.00           C  
HETATM    6  C   UNL     1       4.240   1.435   1.918  1.00  0.00           C  
HETATM    7  C   UNL     1       4.114   2.789   1.665  1.00  0.00           C  
HETATM    8  C   UNL     1       3.401   3.222   0.563  1.00  0.00           C  
HETATM    9  C   UNL     1       2.814   2.303  -0.286  1.00  0.00           C  
HETATM   10  C   UNL     1       2.939   0.950  -0.032  1.00  0.00           C  
HETATM   11  S   UNL     1       2.196  -0.222  -1.118  1.00  0.00           S  
HETATM   12  O   UNL     1       2.351   0.294  -2.433  1.00  0.00           O  
HETATM   13  O   UNL     1       2.679  -1.499  -0.722  1.00  0.00           O  
HETATM   14  C   UNL     1       0.466  -0.220  -0.783  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.382   0.566  -1.544  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.738   0.572  -1.286  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.252  -0.215  -0.258  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.394  -1.005   0.505  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.040  -1.007   0.235  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.709  -0.213   0.024  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.222  -1.000   1.053  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.577  -0.996   1.313  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.429  -0.208   0.551  1.00  0.00           C  
HETATM   24  O   UNL     1      -7.762  -0.205   0.809  1.00  0.00           O  
HETATM   25  C   UNL     1      -8.581   0.628  -0.014  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.920   0.578  -0.475  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.566   0.582  -0.735  1.00  0.00           C  
HETATM   28  H   UNL     1       5.877  -3.159  -0.050  1.00  0.00           H  
HETATM   29  H   UNL     1       2.849  -1.460   1.131  1.00  0.00           H  
HETATM   30  H   UNL     1       4.058  -1.111   2.389  1.00  0.00           H  
HETATM   31  H   UNL     1       4.797   1.096   2.779  1.00  0.00           H  
HETATM   32  H   UNL     1       4.573   3.507   2.328  1.00  0.00           H  
HETATM   33  H   UNL     1       3.303   4.279   0.365  1.00  0.00           H  
HETATM   34  H   UNL     1       2.257   2.641  -1.147  1.00  0.00           H  
HETATM   35  H   UNL     1       0.018   1.175  -2.341  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.399   1.186  -1.880  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.787  -1.617   1.303  1.00  0.00           H  
HETATM   38  H   UNL     1       0.626  -1.621   0.823  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.560  -1.614   1.646  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.975  -1.606   2.110  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.261   1.665   0.088  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.485   0.319  -1.054  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.622   0.537   0.298  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.585   1.190  -1.066  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.171   1.193  -1.533  1.00  0.00           H  
CONECT    1    2   28                                                 
CONECT    2    3    3    4    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   29   30                                       
CONECT    5    6    6   10    4                                       
CONECT    6    7    5    5   31                                       
CONECT    7    8    8    6   32                                       
CONECT    8    7    7    9   33                                       
CONECT    9    8   10   10   34                                       
CONECT   10    9    9    5   11                                       
CONECT   11   10   13   13   12                                       
CONECT   11   12   14                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   11   19   19   15                                       
CONECT   15   14   16   16   35                                       
CONECT   16   15   15   17   36                                       
CONECT   17   18   18   16   20                                       
CONECT   18   19   17   17   37                                       
CONECT   19   14   14   18   38                                       
CONECT   20   17   27   21   21                                       
CONECT   21   20   20   22   39                                       
CONECT   22   23   23   21   40                                       
CONECT   23   26   24   22   22                                       
CONECT   24   23   25                                                 
CONECT   25   24   41   42   43                                       
CONECT   26   27   27   23   44                                       
CONECT   27   26   26   20   45                                       
CONECT   28    1                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   25                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
