COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.845  -1.221   1.319  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.743  -2.600   1.300  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.763  -3.263   0.077  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.661  -4.649   0.042  1.00  0.00           N  
HETATM    5  N   UNL     1      -4.878  -2.586  -1.055  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.977  -1.270  -1.066  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.964  -0.548   0.110  1.00  0.00           C  
HETATM    8  S   UNL     1      -5.104   1.208   0.079  1.00  0.00           S  
HETATM    9  O   UNL     1      -5.744   1.538  -1.146  1.00  0.00           O  
HETATM   10  O   UNL     1      -5.612   1.592   1.349  1.00  0.00           O  
HETATM   11  N   UNL     1      -3.569   1.821  -0.015  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.800   2.122   1.202  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.429   1.446   1.092  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.935   2.072  -1.319  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.556   1.404  -1.327  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.786   1.851  -0.166  1.00  0.00           N  
HETATM   17  C   UNL     1       0.530   1.387  -0.227  1.00  0.00           C  
HETATM   18  C   UNL     1       1.055   0.642   0.821  1.00  0.00           C  
HETATM   19  C   UNL     1       2.355   0.180   0.754  1.00  0.00           C  
HETATM   20  C   UNL     1       1.314   1.664  -1.339  1.00  0.00           C  
HETATM   21  C   UNL     1       2.615   1.203  -1.397  1.00  0.00           C  
HETATM   22  C   UNL     1       3.133   0.458  -0.354  1.00  0.00           C  
HETATM   23  C   UNL     1       4.551  -0.048  -0.423  1.00  0.00           C  
HETATM   24  C   UNL     1       5.346   0.500   0.764  1.00  0.00           C  
HETATM   25  F   UNL     1       6.690   0.133   0.634  1.00  0.00           F  
HETATM   26  F   UNL     1       5.243   1.895   0.790  1.00  0.00           F  
HETATM   27  F   UNL     1       4.832  -0.028   1.953  1.00  0.00           F  
HETATM   28  C   UNL     1       4.550  -1.577  -0.374  1.00  0.00           C  
HETATM   29  F   UNL     1       5.866  -2.047  -0.438  1.00  0.00           F  
HETATM   30  F   UNL     1       3.960  -2.005   0.820  1.00  0.00           F  
HETATM   31  F   UNL     1       3.823  -2.078  -1.459  1.00  0.00           F  
HETATM   32  O   UNL     1       5.154   0.389  -1.643  1.00  0.00           O  
HETATM   33  H   UNL     1      -4.837  -0.680   2.254  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.649  -3.155   2.221  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.577  -5.150   0.869  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.675  -5.115  -0.808  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.070  -0.750  -2.009  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.670   3.200   1.295  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.331   1.740   2.074  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.806   1.748   1.933  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.556   0.363   1.103  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.552   1.651  -2.113  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.826   3.146  -1.471  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.677   0.322  -1.280  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.028   1.672  -2.242  1.00  0.00           H  
HETATM   46  H   UNL     1       0.447   0.425   1.688  1.00  0.00           H  
HETATM   47  H   UNL     1       2.763  -0.399   1.569  1.00  0.00           H  
HETATM   48  H   UNL     1       0.908   2.239  -2.158  1.00  0.00           H  
HETATM   49  H   UNL     1       3.225   1.419  -2.262  1.00  0.00           H  
HETATM   50  H   UNL     1       4.701   0.078  -2.439  1.00  0.00           H  
CONECT    1    2    2    7   33                                       
CONECT    2    1    1    3   34                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3   35   36                                            
CONECT    5    3    3    6                                            
CONECT    6    7    7    5   37                                       
CONECT    7    1    8    6    6                                       
CONECT    8   11    9    9    7                                       
CONECT    8   10   10                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11   12   14    8                                            
CONECT   12   13   11   38   39                                       
CONECT   13   16   12   40   41                                       
CONECT   14   15   11   42   43                                       
CONECT   15   16   14   44   45                                       
CONECT   16   17   13   15                                            
CONECT   17   18   18   20   16                                       
CONECT   18   19   17   17   46                                       
CONECT   19   22   22   18   47                                       
CONECT   20   21   21   17   48                                       
CONECT   21   22   20   20   49                                       
CONECT   22   23   19   19   21                                       
CONECT   23   28   24   32   22                                       
CONECT   24   27   25   23   26                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
CONECT   28   30   31   29   23                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32   23   50                                                 
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   32                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
