COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.255  -0.520  -1.593  1.00  0.00           C  
HETATM    2  S   UNL     1       6.963   0.948  -0.569  1.00  0.00           S  
HETATM    3  O   UNL     1       7.353   0.704   0.776  1.00  0.00           O  
HETATM    4  O   UNL     1       7.380   2.123  -1.250  1.00  0.00           O  
HETATM    5  N   UNL     1       5.314   1.081  -0.498  1.00  0.00           N  
HETATM    6  C   UNL     1       4.560   0.092   0.137  1.00  0.00           C  
HETATM    7  C   UNL     1       4.962  -0.406   1.370  1.00  0.00           C  
HETATM    8  C   UNL     1       4.214  -1.384   1.995  1.00  0.00           C  
HETATM    9  C   UNL     1       3.066  -1.868   1.395  1.00  0.00           C  
HETATM   10  C   UNL     1       2.663  -1.375   0.168  1.00  0.00           C  
HETATM   11  C   UNL     1       3.403  -0.393  -0.460  1.00  0.00           C  
HETATM   12  C   UNL     1       1.411  -1.906  -0.482  1.00  0.00           C  
HETATM   13  C   UNL     1       0.229  -1.080  -0.044  1.00  0.00           C  
HETATM   14  O   UNL     1       0.387  -0.152   0.720  1.00  0.00           O  
HETATM   15  N   UNL     1      -1.004  -1.373  -0.503  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.100  -0.607  -0.097  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.364  -0.808  -0.487  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.289   0.086   0.051  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.760   1.007   0.878  1.00  0.00           C  
HETATM   20  S   UNL     1      -2.025   0.758   1.008  1.00  0.00           S  
HETATM   21  C   UNL     1      -5.737   0.027  -0.262  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.246  -0.951  -1.123  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.599  -0.975  -1.384  1.00  0.00           C  
HETATM   24  N   UNL     1      -8.412  -0.092  -0.834  1.00  0.00           N  
HETATM   25  C   UNL     1      -7.973   0.848  -0.015  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.631   0.942   0.300  1.00  0.00           C  
HETATM   27  F   UNL     1      -8.848   1.727   0.521  1.00  0.00           F  
HETATM   28  H   UNL     1       6.797  -1.389  -1.121  1.00  0.00           H  
HETATM   29  H   UNL     1       6.817  -0.368  -2.579  1.00  0.00           H  
HETATM   30  H   UNL     1       8.328  -0.685  -1.694  1.00  0.00           H  
HETATM   31  H   UNL     1       4.871   1.846  -0.898  1.00  0.00           H  
HETATM   32  H   UNL     1       5.859  -0.029   1.839  1.00  0.00           H  
HETATM   33  H   UNL     1       4.527  -1.771   2.954  1.00  0.00           H  
HETATM   34  H   UNL     1       2.484  -2.634   1.886  1.00  0.00           H  
HETATM   35  H   UNL     1       3.088  -0.008  -1.419  1.00  0.00           H  
HETATM   36  H   UNL     1       1.513  -1.849  -1.566  1.00  0.00           H  
HETATM   37  H   UNL     1       1.260  -2.944  -0.185  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.131  -2.115  -1.114  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.645  -1.599  -1.166  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.318   1.779   1.387  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.588  -1.677  -1.578  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.000  -1.727  -2.047  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.279   1.710   0.973  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    5    4    4    1                                       
CONECT    2    3    3                                                 
CONECT    3    2    2                                                 
CONECT    4    2    2                                                 
CONECT    5    6    2   31                                            
CONECT    6   11   11    7    5                                       
CONECT    7    8    8    6   32                                       
CONECT    8    9    7    7   33                                       
CONECT    9   10   10    8   34                                       
CONECT   10   12    9    9   11                                       
CONECT   11   10    6    6   35                                       
CONECT   12   13   10   36   37                                       
CONECT   13   15   14   14   12                                       
CONECT   14   13   13                                                 
CONECT   15   16   13   38                                            
CONECT   16   20   17   17   15                                       
CONECT   17   18   16   16   39                                       
CONECT   18   21   19   19   17                                       
CONECT   19   18   18   20   40                                       
CONECT   20   19   16                                                 
CONECT   21   22   22   26   18                                       
CONECT   22   23   21   21   41                                       
CONECT   23   24   24   22   42                                       
CONECT   24   23   23   25                                            
CONECT   25   24   27   26   26                                       
CONECT   26   25   25   21   43                                       
CONECT   27   25                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   19                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   26                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
