COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.894   0.942   0.599  1.00  0.00           C  
HETATM    2  CA  UNL     1       1.982   1.788  -0.024  1.00  0.00           C  
HETATM    3  C   UNL     1       1.581  -0.422   0.851  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.748  -0.090   0.467  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.350   0.878   1.507  1.00  0.00           C  
HETATM    6  C   UNL     1       1.931   3.266  -0.139  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.976  -0.487  -0.394  1.00  0.00           C  
HETATM    8  C   UNL     1       2.724  -0.367  -0.190  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.103  -0.527   0.669  1.00  0.00           C  
HETATM   10  C   UNL     1       3.990  -1.013   0.377  1.00  0.00           C  
HETATM   11  C   UNL     1       3.704  -2.475   0.728  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.445  -0.313   0.018  1.00  0.00           C  
HETATM   13  C   UNL     1       5.106  -0.949  -0.668  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.425  -2.654  -0.657  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.366  -1.127  -1.241  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.793   0.588   1.589  1.00  0.00           N  
HETATM   17  N   UNL     1       2.947   1.067  -0.437  1.00  0.00           N  
HETATM   18  N   UNL     1      -6.061  -1.335  -0.609  1.00  0.00           N  
HETATM   19  OXT UNL     1       2.902   3.923  -0.803  1.00  0.00           O  
HETATM   20  O   UNL     1       1.015   3.883   0.364  1.00  0.00           O  
HETATM   21  O   UNL     1       4.849  -3.045   1.364  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.971   0.779   0.058  1.00  0.00           O  
HETATM   23  O   UNL     1       4.699  -1.651  -1.844  1.00  0.00           O  
HETATM   24  S   UNL     1      -0.500   0.752  -0.546  1.00  0.00           S  
HETATM   25  H   UNL     1       0.559   1.382   1.539  1.00  0.00           H  
HETATM   26  H   UNL     1       1.976  -0.482   1.865  1.00  0.00           H  
HETATM   27  H   UNL     1       0.901  -1.248   0.647  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.321  -0.965   0.957  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.883   0.716   2.478  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.197   1.909   1.186  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.181   0.268  -1.153  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.833  -1.467  -0.849  1.00  0.00           H  
HETATM   33  H   UNL     1       2.422  -0.868  -1.110  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.086  -1.476   1.204  1.00  0.00           H  
HETATM   35  H   UNL     1       4.301  -0.478   1.274  1.00  0.00           H  
HETATM   36  H   UNL     1       2.850  -2.525   1.404  1.00  0.00           H  
HETATM   37  H   UNL     1       3.479  -3.030  -0.183  1.00  0.00           H  
HETATM   38  H   UNL     1       5.310   0.092  -0.918  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.734  -3.238   0.209  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.727  -3.169  -1.569  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.342  -2.536  -0.648  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.222  -0.818  -2.276  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.935  -2.056  -1.214  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.911  -0.351  -0.703  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.063   0.362   2.535  1.00  0.00           H  
HETATM   46  HXT UNL     1       2.826   4.886  -0.851  1.00  0.00           H  
HETATM   47  H   UNL     1       4.739  -3.972   1.615  1.00  0.00           H  
HETATM   48  H   UNL     1       4.501  -2.586  -1.696  1.00  0.00           H  
HETATM   49  O   UNL     1       6.289  -1.552  -0.139  1.00  0.00           O  
HETATM   50  H   UNL     1       7.040  -1.547  -0.748  1.00  0.00           H  
CONECT    1    3    2   24   25                                       
CONECT    2   17   17    1    6                                       
CONECT    3    8    1   26   27                                       
CONECT    4   24    7    5   28                                       
CONECT    5    4   16   29   30                                       
CONECT    6    2   20   20   19                                       
CONECT    7    4    9   31   32                                       
CONECT    8   10    3   17   33                                       
CONECT    9    7   16   12   34                                       
CONECT   10   11   13    8   35                                       
CONECT   11   21   10   36   37                                       
CONECT   12    9   22   22   18                                       
CONECT   13   23   10   38   49                                       
CONECT   14   18   39   40   41                                       
CONECT   15   18   42   43   44                                       
CONECT   16    5    9   45                                            
CONECT   17    8    2    2                                            
CONECT   18   12   15   14                                            
CONECT   19    6   46                                                 
CONECT   20    6    6                                                 
CONECT   21   11   47                                                 
CONECT   22   12   12                                                 
CONECT   23   13   48                                                 
CONECT   24    1    4                                                 
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   13   50                                                 
CONECT   50   49                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
