COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.023  -0.407  -0.764  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.862  -1.660  -0.833  1.00  0.00           C  
HETATM    3  C   UNL     1       1.440  -1.018   0.341  1.00  0.00           C  
HETATM    4  C   UNL     1       0.345  -2.026   0.105  1.00  0.00           C  
HETATM    5  C   UNL     1       2.346  -1.719  -2.721  1.00  0.00           C  
HETATM    6  C   UNL     1       0.489  -2.588   2.445  1.00  0.00           C  
HETATM    7  C   UNL     1       1.265  -1.330   2.836  1.00  0.00           C  
HETATM    8  C   UNL     1       1.873  -0.698   1.610  1.00  0.00           C  
HETATM    9  C   UNL     1       2.889   0.230   1.782  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.241  -1.079   1.667  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.594  -1.508  -0.985  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.419  -2.251   1.337  1.00  0.00           N  
HETATM   13  C   UNL     1       3.040   0.523  -0.595  1.00  0.00           C  
HETATM   14  C   UNL     1       4.360   2.319  -0.736  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.509  -0.267  -0.526  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.280   0.855  -0.191  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.649   2.075   0.051  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.273   2.176  -0.040  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.510   1.065  -0.372  1.00  0.00           C  
HETATM   20  C   UNL     1       3.475   0.842   0.686  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.116  -0.143  -0.612  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.679   4.386   0.612  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.664   0.752  -0.101  1.00  0.00           N  
HETATM   24  O   UNL     1       3.763   1.253  -1.497  1.00  0.00           O  
HETATM   25  O   UNL     1       4.471   1.770   0.591  1.00  0.00           O  
HETATM   26  O   UNL     1       1.599  -0.725  -2.016  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.755  -2.376  -1.092  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.994  -2.103  -0.845  1.00  0.00           O  
HETATM   29  O   UNL     1      -3.389   3.169   0.377  1.00  0.00           O  
HETATM   30  H   UNL     1       0.787  -2.969  -0.218  1.00  0.00           H  
HETATM   31  H   UNL     1       3.395  -1.425  -2.761  1.00  0.00           H  
HETATM   32  H   UNL     1       2.256  -2.675  -2.204  1.00  0.00           H  
HETATM   33  H   UNL     1       1.957  -1.816  -3.734  1.00  0.00           H  
HETATM   34  H   UNL     1       1.185  -3.363   2.125  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.088  -2.943   3.299  1.00  0.00           H  
HETATM   36  H   UNL     1       0.589  -0.621   3.312  1.00  0.00           H  
HETATM   37  H   UNL     1       2.058  -1.597   3.534  1.00  0.00           H  
HETATM   38  H   UNL     1       3.227   0.476   2.777  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.168  -1.112   1.095  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.471  -1.085   2.732  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.693  -0.169   1.419  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.068  -1.459  -1.939  1.00  0.00           H  
HETATM   43  H   UNL     1       5.345   2.566  -1.132  1.00  0.00           H  
HETATM   44  H   UNL     1       3.715   3.197  -0.735  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.789   3.123   0.148  1.00  0.00           H  
HETATM   46  H   UNL     1       0.564   1.151  -0.441  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.387   5.177   0.862  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.983   4.247   1.439  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.127   4.664  -0.285  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.099  -0.098  -0.270  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.194   1.531   0.132  1.00  0.00           H  
CONECT    1   13   26    3    3                                       
CONECT    2   27   15   28   28                                       
CONECT    3    1    1    8    4                                       
CONECT    4    3   11   12   30                                       
CONECT    5   26   31   32   33                                       
CONECT    6    7   12   34   35                                       
CONECT    7    8    6   36   37                                       
CONECT    8    9    9    3    7                                       
CONECT    9   20    8    8   38                                       
CONECT   10   12   39   40   41                                       
CONECT   11    4   21   27   42                                       
CONECT   12    4    6   10                                            
CONECT   13   24   20   20    1                                       
CONECT   14   24   25   43   44                                       
CONECT   15   21    2   16   16                                       
CONECT   16   15   15   17   23                                       
CONECT   17   18   18   16   29                                       
CONECT   18   19   17   17   45                                       
CONECT   19   21   21   18   46                                       
CONECT   20   25   13   13    9                                       
CONECT   21   11   19   19   15                                       
CONECT   22   29   47   48   49                                       
CONECT   23   16   50   51                                            
CONECT   24   14   13                                                 
CONECT   25   14   20                                                 
CONECT   26    5    1                                                 
CONECT   27   11    2                                                 
CONECT   28    2    2                                                 
CONECT   29   17   22                                                 
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
