COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1       3.353  -2.677  -0.600  1.00  0.00           O  
HETATM    2  O   UNL     1       3.854  -1.563   1.581  1.00  0.00           O  
HETATM    3  N   UNL     1       2.578   3.309   0.287  1.00  0.00           N  
HETATM    4  CA  UNL     1       3.280   2.256  -0.459  1.00  0.00           C  
HETATM    5  C   UNL     1       3.112   0.939   0.253  1.00  0.00           C  
HETATM    6  O   UNL     1       2.803   0.919   1.426  1.00  0.00           O  
HETATM    7  C   UNL     1       4.768   2.601  -0.549  1.00  0.00           C  
HETATM    8  O   UNL     1       4.937   3.789  -1.324  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.580  -0.969   0.549  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.812   1.182  -0.562  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.898  -1.814  -0.705  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.605  -2.624  -0.950  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.262   2.826   0.168  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.660  -2.173   0.185  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.675   1.989   1.224  1.00  0.00           C  
HETATM   16  C   UNL     1       0.780  -2.083  -0.325  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.123   0.757   1.340  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.185   0.360   0.435  1.00  0.00           N  
HETATM   19  N   UNL     1      -3.345   2.396  -0.689  1.00  0.00           N  
HETATM   20  N   UNL     1       3.304  -0.217  -0.413  1.00  0.00           N  
HETATM   21  N   UNL     1      -4.806   4.081   0.027  1.00  0.00           N  
HETATM   22  O   UNL     1      -1.967   0.812  -1.361  1.00  0.00           O  
HETATM   23  O   UNL     1      -3.998  -2.690  -0.453  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.868  -4.026  -0.856  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.140  -0.866   0.569  1.00  0.00           O  
HETATM   26  O   UNL     1       1.653  -1.779   0.764  1.00  0.00           O  
HETATM   27  S   UNL     1       3.119  -1.664   0.369  1.00  0.00           S  
HETATM   28  H1  UNL     1       1.584   3.138   0.305  1.00  0.00           H  
HETATM   29  H2  UNL     1       2.947   3.397   1.222  1.00  0.00           H  
HETATM   30  HA  UNL     1       2.863   2.183  -1.463  1.00  0.00           H  
HETATM   31  H1  UNL     1       5.165   2.762   0.454  1.00  0.00           H  
HETATM   32  H2  UNL     1       5.304   1.778  -1.024  1.00  0.00           H  
HETATM   33  H   UNL     1       5.857   4.067  -1.423  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.937  -1.472   1.448  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.111  -1.168  -1.557  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.179  -2.378  -1.922  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.722  -2.862   1.028  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.421   2.324   1.930  1.00  0.00           H  
HETATM   39  H   UNL     1       1.069  -3.036  -0.767  1.00  0.00           H  
HETATM   40  H   UNL     1       0.850  -1.297  -1.077  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.423   0.098   2.141  1.00  0.00           H  
HETATM   42  H   UNL     1       3.552  -0.200  -1.351  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.477   4.393   0.655  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.520   4.655  -0.701  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.241  -3.244  -1.207  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.503  -4.351  -1.508  1.00  0.00           H  
CONECT    1   27   27                                                 
CONECT    2   27   27                                                 
CONECT    3    4   28   29                                            
CONECT    4    7    5    3   30                                       
CONECT    5   20    4    6    6                                       
CONECT    6    5    5                                                 
CONECT    7    8    4   31   32                                       
CONECT    8    7   33                                                 
CONECT    9   11   18   25   34                                       
CONECT   10   22   22   19   18                                       
CONECT   11   23    9   12   35                                       
CONECT   12   11   24   14   36                                       
CONECT   13   19   19   21   15                                       
CONECT   14   12   25   16   37                                       
CONECT   15   13   17   17   38                                       
CONECT   16   14   26   39   40                                       
CONECT   17   18   15   15   41                                       
CONECT   18   10    9   17                                            
CONECT   19   10   13   13                                            
CONECT   20   27    5   42                                            
CONECT   21   13   43   44                                            
CONECT   22   10   10                                                 
CONECT   23   11   45                                                 
CONECT   24   12   46                                                 
CONECT   25    9   14                                                 
CONECT   26   16   27                                                 
CONECT   27   26    2    2   20                                       
CONECT   27    1    1                                                 
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
