COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.961   1.008  -0.228  1.00  0.00           C  
HETATM    2  C   UNL     1       5.319   0.935  -0.878  1.00  0.00           C  
HETATM    3  N   UNL     1       5.384  -0.249  -1.745  1.00  0.00           N  
HETATM    4  C   UNL     1       6.697  -0.352  -2.396  1.00  0.00           C  
HETATM    5  C   UNL     1       6.727  -1.594  -3.289  1.00  0.00           C  
HETATM    6  C   UNL     1       2.929   1.788  -0.626  1.00  0.00           C  
HETATM    7  N   UNL     1       1.895   1.558   0.209  1.00  0.00           N  
HETATM    8  C   UNL     1       0.576   2.193   0.142  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.490   1.129   0.072  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.789   1.481   0.003  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.770   0.503  -0.061  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.112   0.751  -0.133  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.681   2.102  -0.151  1.00  0.00           C  
HETATM   14  N   UNL     1      -5.008   2.712   1.006  1.00  0.00           N  
HETATM   15  O   UNL     1      -4.858   2.674  -1.211  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.918  -0.454  -0.190  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.436  -0.461  -0.274  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.898  -1.843  -0.740  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.233  -2.915   0.129  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.740  -2.973  -0.205  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.175  -1.567  -0.160  1.00  0.00           C  
HETATM   22  S   UNL     1      -2.467  -1.173  -0.068  1.00  0.00           S  
HETATM   23  O   UNL     1      -0.178  -0.043   0.078  1.00  0.00           O  
HETATM   24  N   UNL     1       2.304   0.606   1.152  1.00  0.00           N  
HETATM   25  C   UNL     1       3.543   0.277   0.889  1.00  0.00           C  
HETATM   26  C   UNL     1       4.373  -0.721   1.653  1.00  0.00           C  
HETATM   27  F   UNL     1       5.293  -1.323   0.787  1.00  0.00           F  
HETATM   28  F   UNL     1       5.061  -0.067   2.681  1.00  0.00           F  
HETATM   29  F   UNL     1       3.538  -1.701   2.200  1.00  0.00           F  
HETATM   30  H   UNL     1       5.485   1.832  -1.474  1.00  0.00           H  
HETATM   31  H   UNL     1       6.087   0.864  -0.107  1.00  0.00           H  
HETATM   32  H   UNL     1       5.170  -1.088  -1.228  1.00  0.00           H  
HETATM   33  H   UNL     1       6.873   0.536  -3.003  1.00  0.00           H  
HETATM   34  H   UNL     1       7.474  -0.433  -1.637  1.00  0.00           H  
HETATM   35  H   UNL     1       7.701  -1.671  -3.773  1.00  0.00           H  
HETATM   36  H   UNL     1       6.551  -2.482  -2.682  1.00  0.00           H  
HETATM   37  H   UNL     1       5.949  -1.514  -4.049  1.00  0.00           H  
HETATM   38  H   UNL     1       2.933   2.471  -1.462  1.00  0.00           H  
HETATM   39  H   UNL     1       0.421   2.804   1.031  1.00  0.00           H  
HETATM   40  H   UNL     1       0.520   2.822  -0.746  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.038   2.418  -0.001  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.866   2.256   1.850  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.384   3.606   0.993  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.858  -0.247   0.708  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.766   0.294  -0.988  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.981  -1.917  -0.645  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.612  -1.990  -1.782  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.362  -2.663   1.181  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.691  -3.884  -0.073  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.226  -3.597   0.527  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.604  -3.392  -1.202  1.00  0.00           H  
CONECT    1    6    6    2   25                                       
CONECT    2    1    3   30   31                                       
CONECT    3    2    4   32                                            
CONECT    4    3    5   33   34                                       
CONECT    5    4   35   36   37                                       
CONECT    6    1    1    7   38                                       
CONECT    7    6    8   24                                            
CONECT    8    7    9   39   40                                       
CONECT    9    8   10   23   23                                       
CONECT   10    9   11   41                                            
CONECT   11   10   12   12   22                                       
CONECT   12   11   11   13   16                                       
CONECT   13   12   15   15   14                                       
CONECT   14   13   42   43                                            
CONECT   15   13   13                                                 
CONECT   16   12   17   21   21                                       
CONECT   17   16   18   44   45                                       
CONECT   18   17   19   46   47                                       
CONECT   19   18   20   48   49                                       
CONECT   20   19   21   50   51                                       
CONECT   21   16   16   20   22                                       
CONECT   22   11   21                                                 
CONECT   23    9    9                                                 
CONECT   24    7   25   25                                            
CONECT   25    1   24   24   26                                       
CONECT   26   25   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
