COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.810  -0.412   0.776  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.240  -0.605   0.581  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.265   0.106  -0.774  1.00  0.00           C  
HETATM    4  N   UNL     1       2.822   0.670   0.135  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.640   1.757  -2.597  1.00  0.00           C  
HETATM    6  O   UNL     1      -6.891   0.066  -1.007  1.00  0.00           O  
HETATM    7  C   UNL     1       3.722   2.888   0.579  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.573  -0.803   0.412  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.922  -1.365   0.734  1.00  0.00           C  
HETATM   10  C   UNL     1       0.547   0.157   0.455  1.00  0.00           C  
HETATM   11  C   UNL     1       0.347   1.477   0.870  1.00  0.00           C  
HETATM   12  O   UNL     1       2.099  -1.494  -0.332  1.00  0.00           O  
HETATM   13  C   UNL     1       2.583   1.903   0.534  1.00  0.00           C  
HETATM   14  N   UNL     1       1.379   2.303   0.894  1.00  0.00           N  
HETATM   15  C   UNL     1       3.206   4.242   1.069  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.379  -1.947   0.048  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.948  -2.176   2.031  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.712  -3.012   2.367  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.000  -3.700   1.911  1.00  0.00           C  
HETATM   20  C   UNL     1       1.847  -0.229   0.079  1.00  0.00           C  
HETATM   21  C   UNL     1       3.350  -1.783  -0.777  1.00  0.00           C  
HETATM   22  C   UNL     1       4.386  -1.961   0.128  1.00  0.00           C  
HETATM   23  C   UNL     1       5.657  -2.256  -0.327  1.00  0.00           C  
HETATM   24  C   UNL     1       5.897  -2.371  -1.684  1.00  0.00           C  
HETATM   25  C   UNL     1       4.866  -2.194  -2.588  1.00  0.00           C  
HETATM   26  C   UNL     1       3.592  -1.905  -2.138  1.00  0.00           C  
HETATM   27  F   UNL     1       4.708   2.420   1.455  1.00  0.00           F  
HETATM   28  F   UNL     1       4.266   3.031  -0.701  1.00  0.00           F  
HETATM   29  O   UNL     1      -5.867   2.046   0.014  1.00  0.00           O  
HETATM   30  S   UNL     1      -5.828   1.008  -0.956  1.00  0.00           S  
HETATM   31  H   UNL     1      -1.964   0.499   1.071  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.330   0.132   1.379  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.073  -1.306   0.638  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.432   0.807  -0.831  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.175  -0.630  -1.572  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.510   0.972  -3.342  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.530   2.340  -2.835  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.767   2.410  -2.601  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.791  -2.039  -0.113  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.634   1.816   1.167  1.00  0.00           H  
HETATM   41  H   UNL     1       2.782   4.131   2.067  1.00  0.00           H  
HETATM   42  H   UNL     1       4.030   4.955   1.102  1.00  0.00           H  
HETATM   43  H   UNL     1       2.438   4.607   0.387  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.487  -1.718   2.861  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.879  -2.984   1.664  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.437  -3.104   3.418  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.572  -4.246   2.661  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.014  -4.126   0.907  1.00  0.00           H  
HETATM   49  H   UNL     1       4.200  -1.870   1.188  1.00  0.00           H  
HETATM   50  H   UNL     1       6.464  -2.395   0.377  1.00  0.00           H  
HETATM   51  H   UNL     1       6.891  -2.601  -2.038  1.00  0.00           H  
HETATM   52  H   UNL     1       5.056  -2.284  -3.648  1.00  0.00           H  
HETATM   53  H   UNL     1       2.788  -1.766  -2.845  1.00  0.00           H  
CONECT    1    8    9   31                                            
CONECT    2    9    3   32   33                                       
CONECT    3    2   30   34   35                                       
CONECT    4   20   20   13                                            
CONECT    5   30   36   37   38                                       
CONECT    6   30   30                                                 
CONECT    7   15   27   28   13                                       
CONECT    8   10   16   16    1                                       
CONECT    9    1    2   17   39                                       
CONECT   10   11   11    8   20                                       
CONECT   11   14   10   10   40                                       
CONECT   12   20   21                                                 
CONECT   13    7   14   14    4                                       
CONECT   14   13   13   11                                            
CONECT   15    7   41   42   43                                       
CONECT   16    8    8                                                 
CONECT   17    9   18   19   44                                       
CONECT   18   17   19   45   46                                       
CONECT   19   18   17   47   48                                       
CONECT   20   10   12    4    4                                       
CONECT   21   12   22   22   26                                       
CONECT   22   21   21   23   49                                       
CONECT   23   22   24   24   50                                       
CONECT   24   23   23   25   51                                       
CONECT   25   24   26   26   52                                       
CONECT   26   25   25   21   53                                       
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29   30   30                                                 
CONECT   30    3    6    6   29                                       
CONECT   30   29    5                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
