COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.079  -1.730   0.560  1.00  0.00           C  
HETATM    2  N   UNL     1       0.811   0.610   1.360  1.00  0.00           N  
HETATM    3  O   UNL     1       6.299  -1.626  -0.633  1.00  0.00           O  
HETATM    4  C   UNL     1       5.227  -0.792  -0.598  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.278   0.133  -0.148  1.00  0.00           N  
HETATM    6  O   UNL     1      -0.374   3.153   0.643  1.00  0.00           O  
HETATM    7  C   UNL     1       4.426  -0.643  -1.721  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.339   1.649   1.471  1.00  0.00           O  
HETATM    9  C   UNL     1       3.336   0.206  -1.683  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.806  -1.621   1.742  1.00  0.00           O  
HETATM   11  C   UNL     1       3.044   0.906  -0.528  1.00  0.00           C  
HETATM   12  OXT UNL     1      -3.878  -2.289   2.122  1.00  0.00           O  
HETATM   13  C   UNL     1       1.855   1.831  -0.489  1.00  0.00           C  
HETATM   14  C   UNL     1       0.619   1.055  -0.027  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.611   1.960  -0.107  1.00  0.00           C  
HETATM   16  C   ACE A   0      -1.804   1.237   0.463  1.00  0.00           C  
HETATM   17  CA  UNL     1      -3.438  -0.570   0.406  1.00  0.00           C  
HETATM   18  CB  UNL     1      -4.146  -1.343  -0.709  1.00  0.00           C  
HETATM   19  CG  UNL     1      -4.683  -0.359  -1.750  1.00  0.00           C  
HETATM   20  CD2 UNL     1      -5.262  -1.136  -2.935  1.00  0.00           C  
HETATM   21  CD1 UNL     1      -5.780   0.502  -1.120  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.981  -1.531   1.472  1.00  0.00           C  
HETATM   23  C   UNL     1       3.840   0.759   0.593  1.00  0.00           C  
HETATM   24  C   UNL     1       4.928  -0.093   0.562  1.00  0.00           C  
HETATM   25  H   UNL     1       6.451  -2.094   1.374  1.00  0.00           H  
HETATM   26  H   UNL     1       7.902  -2.426   0.397  1.00  0.00           H  
HETATM   27  H   UNL     1       7.478  -0.750   0.820  1.00  0.00           H  
HETATM   28  H   UNL     1       0.948   1.397   1.976  1.00  0.00           H  
HETATM   29  H   UNL     1       0.037   0.041   1.667  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.851  -0.196  -0.954  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.194   2.999   1.580  1.00  0.00           H  
HETATM   32  H   UNL     1       4.654  -1.189  -2.624  1.00  0.00           H  
HETATM   33  H   UNL     1       2.713   0.322  -2.557  1.00  0.00           H  
HETATM   34  HXT UNL     1      -3.537  -2.891   2.798  1.00  0.00           H  
HETATM   35  H   UNL     1       2.052   2.647   0.206  1.00  0.00           H  
HETATM   36  H   UNL     1       1.677   2.236  -1.485  1.00  0.00           H  
HETATM   37  H   UNL     1       0.474   0.186  -0.670  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.806   2.218  -1.148  1.00  0.00           H  
HETATM   39  HA  UNL     1      -4.128   0.154   0.840  1.00  0.00           H  
HETATM   40  HB1 UNL     1      -3.440  -2.024  -1.183  1.00  0.00           H  
HETATM   41  HB2 UNL     1      -4.973  -1.913  -0.287  1.00  0.00           H  
HETATM   42  HG  UNL     1      -3.873   0.282  -2.097  1.00  0.00           H  
HETATM   43 HD21 UNL     1      -6.039  -1.813  -2.580  1.00  0.00           H  
HETATM   44 HD22 UNL     1      -5.689  -0.437  -3.654  1.00  0.00           H  
HETATM   45 HD23 UNL     1      -4.470  -1.711  -3.414  1.00  0.00           H  
HETATM   46 HD11 UNL     1      -5.368   1.055  -0.276  1.00  0.00           H  
HETATM   47 HD12 UNL     1      -6.163   1.202  -1.862  1.00  0.00           H  
HETATM   48 HD13 UNL     1      -6.591  -0.140  -0.773  1.00  0.00           H  
HETATM   49  H   UNL     1       3.609   1.307   1.495  1.00  0.00           H  
HETATM   50  H   UNL     1       5.549  -0.207   1.438  1.00  0.00           H  
CONECT    1    3   25   26   27                                       
CONECT    2   14   28   29                                            
CONECT    3    1    4                                                 
CONECT    4    3   24   24    7                                       
CONECT    5   17   16   30                                            
CONECT    6   15   31                                                 
CONECT    7    4    9    9   32                                       
CONECT    8   16   16                                                 
CONECT    9    7    7   11   33                                       
CONECT   10   22   22                                                 
CONECT   11    9   13   23   23                                       
CONECT   12   22   34                                                 
CONECT   13   11   14   35   36                                       
CONECT   14    2   13   15   37                                       
CONECT   15    6   14   16   38                                       
CONECT   16    5    8    8   15                                       
CONECT   17    5   18   22   39                                       
CONECT   18   17   19   40   41                                       
CONECT   19   18   21   20   42                                       
CONECT   20   19   43   44   45                                       
CONECT   21   19   46   47   48                                       
CONECT   22   10   10   12   17                                       
CONECT   23   11   11   24   49                                       
CONECT   24    4    4   23   50                                       
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
