COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.637   3.197  -0.475  1.00  0.00           C  
HETATM    2  CA  UNL     1       4.768   1.724  -0.183  1.00  0.00           C  
HETATM    3  C   UNL     1       6.032   1.190   0.055  1.00  0.00           C  
HETATM    4  C   UNL     1       6.170  -0.143   0.322  1.00  0.00           C  
HETATM    5  C   UNL     1       5.009  -0.938   0.347  1.00  0.00           C  
HETATM    6  C   UNL     1       5.072  -2.316   0.614  1.00  0.00           C  
HETATM    7  C   UNL     1       3.928  -3.053   0.631  1.00  0.00           C  
HETATM    8  C   UNL     1       2.691  -2.463   0.384  1.00  0.00           C  
HETATM    9  C   UNL     1       2.590  -1.126   0.120  1.00  0.00           C  
HETATM   10  C   UNL     1       0.242  -1.437  -0.077  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.028  -0.634  -0.367  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.241  -1.564  -0.323  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.612  -1.683  -0.802  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.842  -0.848  -1.168  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.328   0.892  -0.374  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.697   1.674   0.817  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.991   2.297   1.767  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.957   1.011   0.105  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.728   0.176   0.471  1.00  0.00           C  
HETATM   20  C   UNL     1       3.754  -0.330   0.096  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.460  -0.793  -0.602  1.00  0.00           N  
HETATM   22  N   UNL     1      -6.109   0.121  -0.095  1.00  0.00           N  
HETATM   23  N   UNL     1       3.688   0.980  -0.154  1.00  0.00           N  
HETATM   24  O   UNL     1       5.930   3.804  -0.450  1.00  0.00           O  
HETATM   25  O   UNL     1       1.375  -0.567  -0.118  1.00  0.00           O  
HETATM   26  H1  UNL     1       4.190   3.333  -1.460  1.00  0.00           H  
HETATM   27  H2  UNL     1       4.002   3.662   0.279  1.00  0.00           H  
HETATM   28  H   UNL     1       6.903   1.828   0.028  1.00  0.00           H  
HETATM   29  H   UNL     1       7.142  -0.574   0.508  1.00  0.00           H  
HETATM   30  H   UNL     1       6.024  -2.788   0.806  1.00  0.00           H  
HETATM   31  H   UNL     1       3.980  -4.112   0.837  1.00  0.00           H  
HETATM   32  H   UNL     1       1.798  -3.070   0.402  1.00  0.00           H  
HETATM   33  H   UNL     1       0.167  -1.890   0.912  1.00  0.00           H  
HETATM   34  H   UNL     1       0.356  -2.219  -0.827  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.143   0.149   0.383  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.953  -0.181  -1.355  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.127  -2.347  -1.073  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.316  -2.017   0.666  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.809  -2.237   0.116  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.395  -2.383  -1.609  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.655  -0.316  -2.101  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.704  -1.504  -1.289  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.139   0.210  -0.627  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.147   1.567  -1.210  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.255   2.855   2.617  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.174   1.710   0.913  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.760   1.565  -0.813  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.865   0.831   0.592  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.914  -0.356   1.404  1.00  0.00           H  
HETATM   50  H   UNL     1       5.922   4.754  -0.631  1.00  0.00           H  
CONECT    1   24    2   26   27                                       
CONECT    2   23    1    3    3                                       
CONECT    3    2    2    4   28                                       
CONECT    4    5    5    3   29                                       
CONECT    5   20    6    4    4                                       
CONECT    6    7    7    5   30                                       
CONECT    7    8    6    6   31                                       
CONECT    8    9    9    7   32                                       
CONECT    9   25    8    8   20                                       
CONECT   10   11   25   33   34                                       
CONECT   11   10   12   35   36                                       
CONECT   12   11   21   37   38                                       
CONECT   13   21   14   39   40                                       
CONECT   14   13   22   41   42                                       
CONECT   15   22   16   43   44                                       
CONECT   16   15   17   17   17                                       
CONECT   17   16   16   16   45                                       
CONECT   18   19   22   46   47                                       
CONECT   19   21   18   48   49                                       
CONECT   20    9   23   23    5                                       
CONECT   21   12   13   19                                            
CONECT   22   14   18   15                                            
CONECT   23   20   20    2                                            
CONECT   24    1   50                                                 
CONECT   25   10    9                                                 
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   24                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
