COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.581  -0.753  -0.867  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.007   1.551  -0.331  1.00  0.00           C  
HETATM    3  C   UNL     1       0.322   1.846  -0.560  1.00  0.00           C  
HETATM    4  C   UNL     1       1.198   0.848  -0.947  1.00  0.00           C  
HETATM    5  C   UNL     1       0.746  -0.450  -1.100  1.00  0.00           C  
HETATM    6  C   UNL     1       2.648   1.174  -1.196  1.00  0.00           C  
HETATM    7  C   UNL     1       3.006   0.830  -2.643  1.00  0.00           C  
HETATM    8  C   UNL     1       3.525   0.358  -0.245  1.00  0.00           C  
HETATM    9  N   UNL     1       4.924   0.761  -0.404  1.00  0.00           N  
HETATM   10  S   UNL     1       6.045   0.328   0.735  1.00  0.00           S  
HETATM   11  C   UNL     1      -1.463   0.248  -0.484  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.812  -0.055  -0.253  1.00  0.00           N  
HETATM   13  N   UNL     1      -3.808   0.853   0.129  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.935   0.199   0.247  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.695  -1.145  -0.056  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.384  -1.275  -0.365  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.263   0.792   0.641  1.00  0.00           C  
HETATM   18  F   UNL     1      -6.666   0.258   1.870  1.00  0.00           F  
HETATM   19  F   UNL     1      -6.139   2.181   0.755  1.00  0.00           F  
HETATM   20  F   UNL     1      -7.218   0.488  -0.335  1.00  0.00           F  
HETATM   21  O   UNL     1      -5.090  -3.484  -0.410  1.00  0.00           O  
HETATM   22  C   UNL     1      -5.717  -2.253  -0.046  1.00  0.00           C  
HETATM   23  O   UNL     1       5.467   0.734   1.968  1.00  0.00           O  
HETATM   24  C   UNL     1       6.119  -1.482   0.633  1.00  0.00           C  
HETATM   25  C   UNL     1       6.548  -1.895  -0.776  1.00  0.00           C  
HETATM   26  C   UNL     1       7.134  -2.009   1.650  1.00  0.00           C  
HETATM   27  O   UNL     1       7.259   0.904   0.270  1.00  0.00           O  
HETATM   28  H   UNL     1      -0.933  -1.767  -0.987  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.691   2.331  -0.034  1.00  0.00           H  
HETATM   30  H   UNL     1       0.678   2.859  -0.442  1.00  0.00           H  
HETATM   31  H   UNL     1       1.432  -1.227  -1.402  1.00  0.00           H  
HETATM   32  H   UNL     1       2.816   2.237  -1.023  1.00  0.00           H  
HETATM   33  H   UNL     1       2.838  -0.233  -2.816  1.00  0.00           H  
HETATM   34  H   UNL     1       2.381   1.412  -3.320  1.00  0.00           H  
HETATM   35  H   UNL     1       4.055   1.066  -2.823  1.00  0.00           H  
HETATM   36  H   UNL     1       3.210   0.536   0.783  1.00  0.00           H  
HETATM   37  H   UNL     1       3.424  -0.702  -0.478  1.00  0.00           H  
HETATM   38  H   UNL     1       5.194   1.282  -1.177  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.884  -2.190  -0.648  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.690  -4.242  -0.424  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.143  -2.344   0.953  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.509  -2.023  -0.759  1.00  0.00           H  
HETATM   43  H   UNL     1       5.136  -1.898   0.851  1.00  0.00           H  
HETATM   44  H   UNL     1       6.592  -2.983  -0.838  1.00  0.00           H  
HETATM   45  H   UNL     1       5.826  -1.520  -1.501  1.00  0.00           H  
HETATM   46  H   UNL     1       7.531  -1.479  -0.994  1.00  0.00           H  
HETATM   47  H   UNL     1       6.828  -1.714   2.654  1.00  0.00           H  
HETATM   48  H   UNL     1       7.178  -3.096   1.588  1.00  0.00           H  
HETATM   49  H   UNL     1       8.117  -1.592   1.432  1.00  0.00           H  
CONECT    1    5    5   11   28                                       
CONECT    2    3   11   11   29                                       
CONECT    3    2    4    4   30                                       
CONECT    4    3    3    6    5                                       
CONECT    5    1    1    4   31                                       
CONECT    6    4    7    8   32                                       
CONECT    7    6   33   34   35                                       
CONECT    8    6    9   36   37                                       
CONECT    9    8   10   38                                            
CONECT   10    9   23   23   24                                       
CONECT   10   27   27                                                 
CONECT   11    1    2    2   12                                       
CONECT   12   11   13   16                                            
CONECT   13   12   14   14                                            
CONECT   14   13   13   17   15                                       
CONECT   15   14   16   16   22                                       
CONECT   16   12   15   15   39                                       
CONECT   17   14   20   18   19                                       
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   17                                                      
CONECT   21   22   40                                                 
CONECT   22   15   21   41   42                                       
CONECT   23   10   10                                                 
CONECT   24   10   26   25   43                                       
CONECT   25   24   44   45   46                                       
CONECT   26   24   47   48   49                                       
CONECT   27   10   10                                                 
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   16                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
