COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.558  -0.205   0.165  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.383   0.108   0.160  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.041   1.375   0.447  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.750   1.764   0.453  1.00  0.00           C  
HETATM    5  O   UNL     1      -3.454   2.917   0.715  1.00  0.00           O  
HETATM    6  N   UNL     1      -4.457  -0.826  -0.126  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.870  -2.199  -0.429  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.112  -0.489  -0.137  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.748   0.826   0.154  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.995  -1.172  -0.376  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.943  -0.376  -0.255  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.364   0.875   0.073  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.256   1.689   0.193  1.00  0.00           C  
HETATM   14  N   UNL     1       0.426  -0.345  -0.340  1.00  0.00           N  
HETATM   15  C   UNL     1       0.839   0.951  -0.057  1.00  0.00           C  
HETATM   16  C   UNL     1       2.238   1.434  -0.035  1.00  0.00           C  
HETATM   17  C   UNL     1       2.666   2.380  -0.966  1.00  0.00           C  
HETATM   18  C   UNL     1       1.704   2.913  -1.997  1.00  0.00           C  
HETATM   19  C   UNL     1       3.971   2.829  -0.943  1.00  0.00           C  
HETATM   20  C   UNL     1       4.857   2.343   0.001  1.00  0.00           C  
HETATM   21  C   UNL     1       3.130   0.949   0.921  1.00  0.00           C  
HETATM   22  C   UNL     1       4.439   1.401   0.932  1.00  0.00           C  
HETATM   23  O   UNL     1       5.312   0.931   1.862  1.00  0.00           O  
HETATM   24  C   UNL     1       1.260  -1.427  -0.656  1.00  0.00           C  
HETATM   25  C   UNL     1       1.595  -1.684  -1.977  1.00  0.00           C  
HETATM   26  C   UNL     1       2.416  -2.752  -2.286  1.00  0.00           C  
HETATM   27  C   UNL     1       2.906  -3.566  -1.281  1.00  0.00           C  
HETATM   28  C   UNL     1       2.576  -3.316   0.038  1.00  0.00           C  
HETATM   29  C   UNL     1       1.757  -2.244   0.357  1.00  0.00           C  
HETATM   30  O   UNL     1       1.432  -1.997   1.654  1.00  0.00           O  
HETATM   31  C   UNL     1       1.969  -2.883   2.638  1.00  0.00           C  
HETATM   32  H   UNL     1      -5.735   2.022   0.654  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.956  -2.272  -0.373  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.539  -2.465  -1.432  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.422  -2.881   0.295  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.268   2.739   0.446  1.00  0.00           H  
HETATM   37  H   UNL     1       1.134   3.738  -1.569  1.00  0.00           H  
HETATM   38  H   UNL     1       2.261   3.267  -2.864  1.00  0.00           H  
HETATM   39  H   UNL     1       1.023   2.119  -2.302  1.00  0.00           H  
HETATM   40  H   UNL     1       4.302   3.561  -1.664  1.00  0.00           H  
HETATM   41  H   UNL     1       5.877   2.697   0.015  1.00  0.00           H  
HETATM   42  H   UNL     1       2.803   0.220   1.647  1.00  0.00           H  
HETATM   43  H   UNL     1       5.795   0.141   1.583  1.00  0.00           H  
HETATM   44  H   UNL     1       1.214  -1.051  -2.764  1.00  0.00           H  
HETATM   45  H   UNL     1       2.677  -2.951  -3.315  1.00  0.00           H  
HETATM   46  H   UNL     1       3.543  -4.402  -1.527  1.00  0.00           H  
HETATM   47  H   UNL     1       2.959  -3.953   0.821  1.00  0.00           H  
HETATM   48  H   UNL     1       1.633  -2.574   3.627  1.00  0.00           H  
HETATM   49  H   UNL     1       1.627  -3.898   2.438  1.00  0.00           H  
HETATM   50  H   UNL     1       3.058  -2.852   2.598  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    6    1    1    3                                       
CONECT    3    2    4   32                                            
CONECT    4    9    3    5    5                                       
CONECT    5    4    4                                                 
CONECT    6    7    8    2                                            
CONECT    7    6   33   34   35                                       
CONECT    8   10    6    9    9                                       
CONECT    9    8    8   12    4                                       
CONECT   10   11   11    8                                            
CONECT   11   14   10   10   12                                       
CONECT   12   11   13    9                                            
CONECT   13   15   15   12   36                                       
CONECT   14   24   11   15                                            
CONECT   15   14   16   13   13                                       
CONECT   16   21   15   17   17                                       
CONECT   17   16   16   19   18                                       
CONECT   18   17   37   38   39                                       
CONECT   19   20   20   17   40                                       
CONECT   20   22   19   19   41                                       
CONECT   21   22   22   16   42                                       
CONECT   22   23   21   21   20                                       
CONECT   23   22   43                                                 
CONECT   24   29   29   25   14                                       
CONECT   25   26   26   24   44                                       
CONECT   26   27   25   25   45                                       
CONECT   27   28   28   26   46                                       
CONECT   28   27   27   29   47                                       
CONECT   29   28   30   24   24                                       
CONECT   30   29   31                                                 
CONECT   31   30   48   49   50                                       
CONECT   32    3                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36   13                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   31                                                      
CONECT   49   31                                                      
CONECT   50   31                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
