COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK     1      -0.438   0.585   1.382  1.00  0.00           C  
HETATM    2  C   UNK     1      -1.121  -2.724   0.919  1.00  0.00           C  
HETATM    3  C   UNK     1      -1.335  -4.186   1.316  1.00  0.00           C  
HETATM    4  C   UNK     1      -3.623  -0.317   0.124  1.00  0.00           C  
HETATM    5  C   UNK     1      -6.719  -0.034  -1.706  1.00  0.00           C  
HETATM    6  C   UNK     1      -0.769   1.726   0.623  1.00  0.00           C  
HETATM    7  C   UNK     1       0.240   3.507  -0.800  1.00  0.00           C  
HETATM    8  N   UNK     1       6.436  -2.120  -0.543  1.00  0.00           N  
HETATM    9  S   UNK     1       5.207  -1.556  -1.499  1.00  0.00           S  
HETATM   10  O   UNK     1       5.712  -0.405  -2.164  1.00  0.00           O  
HETATM   11  O   UNK     1       4.684  -2.684  -2.187  1.00  0.00           O  
HETATM   12  C   UNK     1       3.929  -0.990  -0.426  1.00  0.00           C  
HETATM   13  C   UNK     1       3.590   0.349  -0.400  1.00  0.00           C  
HETATM   14  C   UNK     1       2.587   0.793   0.441  1.00  0.00           C  
HETATM   15  C   UNK     1       1.922  -0.102   1.257  1.00  0.00           C  
HETATM   16  C   UNK     1       0.828   0.383   2.174  1.00  0.00           C  
HETATM   17  C   UNK     1      -1.459  -0.293   1.278  1.00  0.00           C  
HETATM   18  C   UNK     1      -1.532  -1.650   1.929  1.00  0.00           C  
HETATM   19  C   UNK     1       0.080  -3.603   1.272  1.00  0.00           C  
HETATM   20  N   UNK     1      -2.409   0.265   0.482  1.00  0.00           N  
HETATM   21  N   UNK     1      -4.516   0.226  -0.640  1.00  0.00           N  
HETATM   22  C   UNK     1      -5.610  -0.506  -0.862  1.00  0.00           C  
HETATM   23  O   UNK     1      -6.652   1.180  -2.290  1.00  0.00           O  
HETATM   24  O   UNK     1      -7.695  -0.738  -1.878  1.00  0.00           O  
HETATM   25  C   UNK     1      -5.624  -1.711  -0.254  1.00  0.00           C  
HETATM   26  S   UNK     1      -4.176  -1.907   0.635  1.00  0.00           S  
HETATM   27  N   UNK     1      -1.954   1.529   0.085  1.00  0.00           N  
HETATM   28  C   UNK     1       0.072   2.937   0.461  1.00  0.00           C  
HETATM   29  C   UNK     1       1.022   4.635  -0.946  1.00  0.00           C  
HETATM   30  C   UNK     1       1.636   5.203   0.158  1.00  0.00           C  
HETATM   31  F   UNK     1       2.401   6.306   0.010  1.00  0.00           F  
HETATM   32  C   UNK     1       1.467   4.642   1.414  1.00  0.00           C  
HETATM   33  C   UNK     1       0.695   3.509   1.568  1.00  0.00           C  
HETATM   34  C   UNK     1       2.258  -1.442   1.233  1.00  0.00           C  
HETATM   35  C   UNK     1       3.260  -1.889   0.387  1.00  0.00           C  
HETATM   36  F   UNK     1       3.586  -3.200   0.359  1.00  0.00           F  
HETATM   37  H   UNK     1      -1.262  -2.461  -0.129  1.00  0.00           H  
HETATM   38  H   UNK     1      -1.768  -4.383   2.297  1.00  0.00           H  
HETATM   39  H   UNK     1      -1.616  -4.885   0.529  1.00  0.00           H  
HETATM   40  H   UNK     1      -0.238   3.065  -1.661  1.00  0.00           H  
HETATM   41  H   UNK     1       6.351  -2.092   0.423  1.00  0.00           H  
HETATM   42  H   UNK     1       7.240  -2.479  -0.949  1.00  0.00           H  
HETATM   43  H   UNK     1       4.110   1.050  -1.037  1.00  0.00           H  
HETATM   44  H   UNK     1       2.324   1.840   0.461  1.00  0.00           H  
HETATM   45  H   UNK     1       1.127   1.327   2.628  1.00  0.00           H  
HETATM   46  H   UNK     1       0.654  -0.357   2.955  1.00  0.00           H  
HETATM   47  H   UNK     1      -2.552  -1.838   2.264  1.00  0.00           H  
HETATM   48  H   UNK     1      -0.858  -1.679   2.785  1.00  0.00           H  
HETATM   49  H   UNK     1       0.729  -3.920   0.456  1.00  0.00           H  
HETATM   50  H   UNK     1       0.577  -3.417   2.224  1.00  0.00           H  
HETATM   51  H   UNK     1      -7.405   1.446  -2.835  1.00  0.00           H  
HETATM   52  H   UNK     1      -6.422  -2.436  -0.318  1.00  0.00           H  
HETATM   53  H   UNK     1       1.156   5.075  -1.923  1.00  0.00           H  
HETATM   54  H   UNK     1       1.947   5.089   2.273  1.00  0.00           H  
HETATM   55  H   UNK     1       0.564   3.073   2.548  1.00  0.00           H  
HETATM   56  H   UNK     1       1.738  -2.142   1.871  1.00  0.00           H  
CONECT    1   16   17   17    6                                       
CONECT    2   19   18    3   37                                       
CONECT    3   19    2   38   39                                       
CONECT    4   20   21   21   26                                       
CONECT    5   24   24   22   23                                       
CONECT    6    1   28   27   27                                       
CONECT    7   28   28   29   40                                       
CONECT    8    9   41   42                                            
CONECT    9    8   11   11   12                                       
CONECT    9   10   10                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12   13    9   35   35                                       
CONECT   13   14   14   12   43                                       
CONECT   14   13   13   15   44                                       
CONECT   15   14   16   34   34                                       
CONECT   16   15    1   45   46                                       
CONECT   17   18    1    1   20                                       
CONECT   18    2   17   47   48                                       
CONECT   19    2    3   49   50                                       
CONECT   20   17   27    4                                            
CONECT   21    4    4   22                                            
CONECT   22   21    5   25   25                                       
CONECT   23    5   51                                                 
CONECT   24    5    5                                                 
CONECT   25   22   22   26   52                                       
CONECT   26    4   25                                                 
CONECT   27    6    6   20                                            
CONECT   28   33    6    7    7                                       
CONECT   29   30   30    7   53                                       
CONECT   30   32   31   29   29                                       
CONECT   31   30                                                      
CONECT   32   33   33   30   54                                       
CONECT   33   32   32   28   55                                       
CONECT   34   15   15   35   56                                       
CONECT   35   12   12   34   36                                       
CONECT   36   35                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   29                                                      
CONECT   54   32                                                      
CONECT   55   33                                                      
CONECT   56   34                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
