COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.219  -0.882  -0.274  1.00  0.00           C  
HETATM    2  O   UNL     1      -5.357  -1.106  -1.110  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.991  -1.554  -0.893  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.201  -2.966  -0.960  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.765  -1.260  -0.024  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.600  -1.821  -0.633  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.595   0.258   0.104  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.878   0.859   0.685  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.984   0.522  -0.155  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.739   2.381   0.760  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.887   2.932   1.408  1.00  0.00           O  
HETATM   12  S   UNL     1      -0.202   0.621   1.206  1.00  0.00           S  
HETATM   13  C   UNL     1       1.919   1.512  -0.275  1.00  0.00           C  
HETATM   14  C   UNL     1       3.171   1.164  -1.087  1.00  0.00           C  
HETATM   15  C   UNL     1       4.097   0.298  -0.228  1.00  0.00           C  
HETATM   16  C   UNL     1       3.337  -0.949   0.231  1.00  0.00           C  
HETATM   17  C   UNL     1       4.236  -1.791   1.139  1.00  0.00           C  
HETATM   18  C   UNL     1       1.242   0.219   0.185  1.00  0.00           C  
HETATM   19  O   UNL     1       1.014   2.260  -1.091  1.00  0.00           O  
HETATM   20  O   UNL     1       3.849   2.366  -1.459  1.00  0.00           O  
HETATM   21  O   UNL     1       5.235  -0.094  -0.999  1.00  0.00           O  
HETATM   22  O   UNL     1       2.168  -0.554   0.952  1.00  0.00           O  
HETATM   23  O   UNL     1       3.572  -3.013   1.467  1.00  0.00           O  
HETATM   24  H   UNL     1      -4.405  -1.305   0.714  1.00  0.00           H  
HETATM   25  H   UNL     1      -6.173  -0.707  -0.778  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.828  -1.161  -1.897  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.966  -3.225  -1.492  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.906  -1.695   0.965  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.671  -2.767  -0.818  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.405   0.687  -0.880  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.046   0.460   1.685  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.844   2.637   1.326  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.661   2.789  -0.248  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.867   3.896   1.491  1.00  0.00           H  
HETATM   35  H   UNL     1       2.201   2.106   0.594  1.00  0.00           H  
HETATM   36  H   UNL     1       2.883   0.615  -1.983  1.00  0.00           H  
HETATM   37  H   UNL     1       4.425   0.866   0.642  1.00  0.00           H  
HETATM   38  H   UNL     1       3.045  -1.538  -0.639  1.00  0.00           H  
HETATM   39  H   UNL     1       5.170  -2.012   0.621  1.00  0.00           H  
HETATM   40  H   UNL     1       4.450  -1.236   2.052  1.00  0.00           H  
HETATM   41  H   UNL     1       0.924  -0.355  -0.685  1.00  0.00           H  
HETATM   42  H   UNL     1       0.195   2.511  -0.642  1.00  0.00           H  
HETATM   43  H   UNL     1       3.317   2.966  -1.999  1.00  0.00           H  
HETATM   44  H   UNL     1       5.762   0.648  -1.327  1.00  0.00           H  
HETATM   45  H   UNL     1       4.086  -3.597   2.042  1.00  0.00           H  
CONECT    1    9    2    3   24                                       
CONECT    2    1   25                                                 
CONECT    3    1    5    4   26                                       
CONECT    4    3   27                                                 
CONECT    5    3    7    6   28                                       
CONECT    6    5   29                                                 
CONECT    7    5    8   12   30                                       
CONECT    8    7    9   10   31                                       
CONECT    9    1    8                                                 
CONECT   10    8   11   32   33                                       
CONECT   11   10   34                                                 
CONECT   12   18    7                                                 
CONECT   13   18   19   14   35                                       
CONECT   14   13   20   15   36                                       
CONECT   15   14   21   16   37                                       
CONECT   16   15   22   17   38                                       
CONECT   17   16   23   39   40                                       
CONECT   18   12   13   22   41                                       
CONECT   19   13   42                                                 
CONECT   20   14   43                                                 
CONECT   21   15   44                                                 
CONECT   22   18   16                                                 
CONECT   23   17   45                                                 
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
