COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.227   4.637  -0.022  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.855   3.354  -0.027  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.265   2.384  -1.065  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.406   1.283   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.317   2.400   1.053  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.242   0.326   0.036  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.000   0.659   0.278  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.220  -0.432   0.235  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.045  -1.512  -0.055  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.840  -2.896  -0.232  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.570  -3.434  -0.116  1.00  0.00           N  
HETATM   12  N   UNL     1      -2.870  -3.674  -0.508  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.108  -3.174  -0.624  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.357  -1.862  -0.466  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.324  -1.000  -0.170  1.00  0.00           N  
HETATM   16  C   UNL     1       0.243  -0.477   0.454  1.00  0.00           C  
HETATM   17  C   UNL     1       0.815   0.233   1.510  1.00  0.00           C  
HETATM   18  C   UNL     1       2.178   0.189   1.712  1.00  0.00           C  
HETATM   19  C   UNL     1       2.982  -0.562   0.864  1.00  0.00           C  
HETATM   20  O   UNL     1       4.326  -0.603   1.065  1.00  0.00           O  
HETATM   21  C   UNL     1       5.114   0.163   0.267  1.00  0.00           C  
HETATM   22  C   UNL     1       4.545   0.945  -0.729  1.00  0.00           C  
HETATM   23  C   UNL     1       5.348   1.723  -1.538  1.00  0.00           C  
HETATM   24  C   UNL     1       6.719   1.724  -1.358  1.00  0.00           C  
HETATM   25  C   UNL     1       7.289   0.947  -0.367  1.00  0.00           C  
HETATM   26  C   UNL     1       6.490   0.171   0.449  1.00  0.00           C  
HETATM   27  C   UNL     1       2.417  -1.270  -0.189  1.00  0.00           C  
HETATM   28  C   UNL     1       1.054  -1.235  -0.392  1.00  0.00           C  
HETATM   29  H   UNL     1      -4.561   5.241  -0.699  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.943   3.415  -0.053  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.904   2.234  -1.935  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.231   2.605  -1.331  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.370   0.776  -0.021  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.298   2.626   1.366  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.998   2.264   1.893  1.00  0.00           H  
HETATM   36  H   UNL     1       0.125  -2.942   0.349  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.375  -4.304  -0.499  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.926  -3.842  -0.851  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.364  -1.486  -0.566  1.00  0.00           H  
HETATM   40  H   UNL     1       0.190   0.817   2.170  1.00  0.00           H  
HETATM   41  H   UNL     1       2.621   0.738   2.529  1.00  0.00           H  
HETATM   42  H   UNL     1       3.474   0.944  -0.871  1.00  0.00           H  
HETATM   43  H   UNL     1       4.906   2.332  -2.313  1.00  0.00           H  
HETATM   44  H   UNL     1       7.346   2.333  -1.993  1.00  0.00           H  
HETATM   45  H   UNL     1       8.360   0.949  -0.228  1.00  0.00           H  
HETATM   46  H   UNL     1       6.935  -0.433   1.226  1.00  0.00           H  
HETATM   47  H   UNL     1       3.046  -1.852  -0.846  1.00  0.00           H  
HETATM   48  H   UNL     1       0.615  -1.790  -1.208  1.00  0.00           H  
CONECT    1    2   29                                                 
CONECT    2    1    5    3   30                                       
CONECT    3    2    4   31   32                                       
CONECT    4    5    3    6   33                                       
CONECT    5    2    4   34   35                                       
CONECT    6    4   15    7    7                                       
CONECT    7    6    6    8                                            
CONECT    8    7    9    9   16                                       
CONECT    9   15    8    8   10                                       
CONECT   10   12   12    9   11                                       
CONECT   11   10   36   37                                            
CONECT   12   13   10   10                                            
CONECT   13   14   14   12   38                                       
CONECT   14   13   13   15   39                                       
CONECT   15   14    6    9                                            
CONECT   16    8   17   17   28                                       
CONECT   17   16   16   18   40                                       
CONECT   18   17   19   19   41                                       
CONECT   19   18   18   27   20                                       
CONECT   20   19   21                                                 
CONECT   21   20   26   26   22                                       
CONECT   22   21   23   23   42                                       
CONECT   23   22   22   24   43                                       
CONECT   24   25   25   23   44                                       
CONECT   25   26   24   24   45                                       
CONECT   26   21   21   25   46                                       
CONECT   27   28   28   19   47                                       
CONECT   28   16   27   27   48                                       
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
