COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.893   1.918   0.522  1.00  0.00           C  
HETATM    2  C   UNL     1       0.592   0.555   0.599  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.751   0.461   0.861  1.00  0.00           N  
HETATM    4  N   UNL     1      -1.265   1.759   0.943  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.294   2.620   0.749  1.00  0.00           C  
HETATM    6  N   UNL     1       1.340  -0.547   0.468  1.00  0.00           N  
HETATM    7  C   UNL     1       0.810  -1.745   0.588  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.552  -1.891   0.854  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.332  -0.774   0.990  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.681  -0.890   1.254  1.00  0.00           N  
HETATM   11  C   UNL     1       1.679  -2.967   0.435  1.00  0.00           C  
HETATM   12  C   UNL     1       2.228   2.510   0.254  1.00  0.00           C  
HETATM   13  C   UNL     1       1.239  -3.756  -0.800  1.00  0.00           C  
HETATM   14  N   UNL     1       2.099  -4.935  -0.961  1.00  0.00           N  
HETATM   15  C   UNL     1       3.500  -4.547  -1.170  1.00  0.00           C  
HETATM   16  C   UNL     1       4.006  -3.782   0.055  1.00  0.00           C  
HETATM   17  C   UNL     1       3.139  -2.539   0.269  1.00  0.00           C  
HETATM   18  C   UNL     1       3.430   2.183   0.911  1.00  0.00           C  
HETATM   19  N   UNL     1       4.386   2.914   0.400  1.00  0.00           N  
HETATM   20  N   UNL     1       3.837   3.730  -0.597  1.00  0.00           N  
HETATM   21  C   UNL     1       2.514   3.465  -0.677  1.00  0.00           C  
HETATM   22  C   UNL     1       4.571   4.698  -1.416  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.611  -0.316   0.392  1.00  0.00           C  
HETATM   24  S   UNL     1      -3.301   0.438  -1.123  1.00  0.00           S  
HETATM   25  N   UNL     1      -4.919   0.824  -1.455  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.631   0.394  -0.455  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.957  -0.237   0.566  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.127   0.572  -0.419  1.00  0.00           C  
HETATM   29  H   UNL     1      -0.397   3.695   0.756  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.986  -2.875   0.951  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.981  -1.372   2.041  1.00  0.00           H  
HETATM   32  H   UNL     1       1.582  -3.595   1.321  1.00  0.00           H  
HETATM   33  H   UNL     1       0.204  -4.074  -0.679  1.00  0.00           H  
HETATM   34  H   UNL     1       1.323  -3.122  -1.684  1.00  0.00           H  
HETATM   35  H   UNL     1       2.010  -5.558  -0.172  1.00  0.00           H  
HETATM   36  H   UNL     1       4.106  -5.441  -1.317  1.00  0.00           H  
HETATM   37  H   UNL     1       3.573  -3.910  -2.051  1.00  0.00           H  
HETATM   38  H   UNL     1       3.947  -4.423   0.934  1.00  0.00           H  
HETATM   39  H   UNL     1       5.042  -3.481  -0.106  1.00  0.00           H  
HETATM   40  H   UNL     1       3.229  -1.879  -0.594  1.00  0.00           H  
HETATM   41  H   UNL     1       3.470  -2.014   1.166  1.00  0.00           H  
HETATM   42  H   UNL     1       3.543   1.456   1.702  1.00  0.00           H  
HETATM   43  H   UNL     1       1.811   3.927  -1.353  1.00  0.00           H  
HETATM   44  H   UNL     1       4.936   4.208  -2.318  1.00  0.00           H  
HETATM   45  H   UNL     1       3.907   5.518  -1.691  1.00  0.00           H  
HETATM   46  H   UNL     1       5.415   5.089  -0.847  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.456  -0.630   1.440  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.607  -0.289  -0.884  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.458   0.657   0.616  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.398   1.477  -0.963  1.00  0.00           H  
CONECT    1    5    2    2   12                                       
CONECT    2    1    1    3    6                                       
CONECT    3    2    4    9                                            
CONECT    4    3    5    5                                            
CONECT    5    1    4    4   29                                       
CONECT    6    2    7    7                                            
CONECT    7    6    6    8   11                                       
CONECT    8    7    9    9   30                                       
CONECT    9    3    8    8   10                                       
CONECT   10    9   23   31                                            
CONECT   11    7   17   13   32                                       
CONECT   12    1   18   21   21                                       
CONECT   13   11   14   33   34                                       
CONECT   14   13   15   35                                            
CONECT   15   14   16   36   37                                       
CONECT   16   15   17   38   39                                       
CONECT   17   11   16   40   41                                       
CONECT   18   12   19   19   42                                       
CONECT   19   18   18   20                                            
CONECT   20   19   21   22                                            
CONECT   21   12   12   20   43                                       
CONECT   22   20   44   45   46                                       
CONECT   23   10   27   27   24                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   26                                            
CONECT   26   25   25   28   27                                       
CONECT   27   23   23   26   47                                       
CONECT   28   26   48   49   50                                       
CONECT   29    5                                                      
CONECT   30    8                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
