COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.003   4.025   0.293  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.225   3.471   0.643  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.370   2.095   0.718  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.299   1.270   0.444  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.068   1.823   0.092  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.925   3.208   0.023  1.00  0.00           C  
HETATM    7  F   UNL     1     -10.276   4.275   0.912  1.00  0.00           F  
HETATM    8  C   UNL     1      -5.914   0.941  -0.203  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.048   1.254  -1.251  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.975   0.436  -1.526  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.755  -0.708  -0.755  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.627  -1.024   0.290  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.695  -0.202   0.567  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.604  -1.587  -1.049  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.848  -1.314  -1.961  1.00  0.00           O  
HETATM   16  N   UNL     1      -2.392  -2.691  -0.305  1.00  0.00           N  
HETATM   17  S   UNL     1      -1.102  -3.676  -0.634  1.00  0.00           S  
HETATM   18  C   UNL     1       0.363  -2.749  -0.315  1.00  0.00           C  
HETATM   19  C   UNL     1       0.932  -2.771   0.944  1.00  0.00           C  
HETATM   20  C   UNL     1       2.081  -2.047   1.198  1.00  0.00           C  
HETATM   21  C   UNL     1       2.660  -1.292   0.186  1.00  0.00           C  
HETATM   22  C   UNL     1       2.089  -1.276  -1.080  1.00  0.00           C  
HETATM   23  C   UNL     1       0.940  -2.003  -1.326  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.127  -3.888  -2.039  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.135  -4.698   0.353  1.00  0.00           O  
HETATM   26  N   UNL     1       2.689  -2.070   2.546  1.00  0.00           N1+
HETATM   27  O   UNL     1       1.978  -2.084   3.535  1.00  0.00           O1-
HETATM   28  O   UNL     1       3.901  -2.071   2.668  1.00  0.00           O  
HETATM   29  N   UNL     1       3.822  -0.558   0.439  1.00  0.00           N  
HETATM   30  C   UNL     1       4.511   0.124  -0.660  1.00  0.00           C  
HETATM   31  C   UNL     1       5.744   0.849  -0.116  1.00  0.00           C  
HETATM   32  S   UNL     1       6.597   1.693  -1.477  1.00  0.00           S  
HETATM   33  C   UNL     1       7.936   2.422  -0.593  1.00  0.00           C  
HETATM   34  C   UNL     1       8.878   3.191  -1.265  1.00  0.00           C  
HETATM   35  C   UNL     1       9.926   3.760  -0.569  1.00  0.00           C  
HETATM   36  C   UNL     1      10.038   3.566   0.796  1.00  0.00           C  
HETATM   37  C   UNL     1       9.103   2.801   1.468  1.00  0.00           C  
HETATM   38  C   UNL     1       8.049   2.234   0.780  1.00  0.00           C  
HETATM   39  H   UNL     1      -7.895   5.098   0.236  1.00  0.00           H  
HETATM   40  H   UNL     1     -10.323   1.668   0.991  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.413   0.198   0.503  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.974   3.641  -0.249  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.218   2.138  -1.847  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.304   0.679  -2.336  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.457  -1.909   0.886  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.366  -0.443   1.378  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.995  -2.908   0.423  1.00  0.00           H  
HETATM   48  H   UNL     1       0.479  -3.356   1.731  1.00  0.00           H  
HETATM   49  H   UNL     1       2.540  -0.694  -1.870  1.00  0.00           H  
HETATM   50  H   UNL     1       0.493  -1.988  -2.309  1.00  0.00           H  
HETATM   51  H   UNL     1       4.172  -0.500   1.341  1.00  0.00           H  
HETATM   52  H   UNL     1       4.819  -0.608  -1.406  1.00  0.00           H  
HETATM   53  H   UNL     1       3.836   0.848  -1.118  1.00  0.00           H  
HETATM   54  H   UNL     1       5.435   1.581   0.630  1.00  0.00           H  
HETATM   55  H   UNL     1       6.418   0.125   0.342  1.00  0.00           H  
HETATM   56  H   UNL     1       8.791   3.343  -2.331  1.00  0.00           H  
HETATM   57  H   UNL     1      10.658   4.358  -1.091  1.00  0.00           H  
HETATM   58  H   UNL     1      10.859   4.012   1.337  1.00  0.00           H  
HETATM   59  H   UNL     1       9.194   2.651   2.534  1.00  0.00           H  
HETATM   60  H   UNL     1       7.318   1.637   1.306  1.00  0.00           H  
CONECT    1    2    2    6   39                                       
CONECT    2    1    1    3    7                                       
CONECT    3    2    4    4   40                                       
CONECT    4    3    3    5   41                                       
CONECT    5    4    6    6    8                                       
CONECT    6    1    5    5   42                                       
CONECT    7    2                                                      
CONECT    8    5    9    9   13                                       
CONECT    9    8    8   10   43                                       
CONECT   10    9   11   11   44                                       
CONECT   11   10   10   12   14                                       
CONECT   12   11   13   13   45                                       
CONECT   13    8   12   12   46                                       
CONECT   14   11   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   47                                            
CONECT   17   16   18   24   24                                       
CONECT   17   25   25                                                 
CONECT   18   17   19   19   23                                       
CONECT   19   18   18   20   48                                       
CONECT   20   19   21   21   26                                       
CONECT   21   20   20   22   29                                       
CONECT   22   21   23   23   49                                       
CONECT   23   18   22   22   50                                       
CONECT   24   17   17                                                 
CONECT   25   17   17                                                 
CONECT   26   20   27   28   28                                       
CONECT   27   26                                                      
CONECT   28   26   26                                                 
CONECT   29   21   30   51                                            
CONECT   30   29   31   52   53                                       
CONECT   31   30   32   54   55                                       
CONECT   32   31   33                                                 
CONECT   33   32   34   34   38                                       
CONECT   34   33   33   35   56                                       
CONECT   35   34   36   36   57                                       
CONECT   36   35   35   37   58                                       
CONECT   37   36   38   38   59                                       
CONECT   38   33   37   37   60                                       
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    6                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   16                                                      
CONECT   48   19                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   34                                                      
CONECT   57   35                                                      
CONECT   58   36                                                      
CONECT   59   37                                                      
CONECT   60   38                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
