COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.822   4.855   0.047  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.073   3.477   0.427  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.360   2.531  -0.205  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.553   2.845  -1.048  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.566   1.078   0.136  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.021   0.690  -0.139  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.258  -0.726   0.317  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.214  -1.132   1.174  1.00  0.00           C  
HETATM    9  N   UNL     1      -6.076  -2.487   1.309  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.039  -2.863   0.529  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.558  -1.805  -0.065  1.00  0.00           N  
HETATM   12  N   UNL     1      -2.677   0.252  -0.685  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.408   0.031  -0.290  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.001   0.516   0.744  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.493  -0.818  -1.135  1.00  0.00           C  
HETATM   16  N   UNL     1       0.822  -0.905  -0.495  1.00  0.00           N  
HETATM   17  C   UNL     1       1.103  -1.982   0.457  1.00  0.00           C  
HETATM   18  C   UNL     1       1.663  -3.171  -0.281  1.00  0.00           C  
HETATM   19  O   UNL     1       1.997  -4.283   0.393  1.00  0.00           O  
HETATM   20  O   UNL     1       1.812  -3.123  -1.479  1.00  0.00           O  
HETATM   21  C   UNL     1       1.773   0.006  -0.782  1.00  0.00           C  
HETATM   22  O   UNL     1       1.540   0.898  -1.570  1.00  0.00           O  
HETATM   23  C   UNL     1       3.125  -0.083  -0.123  1.00  0.00           C  
HETATM   24  C   UNL     1       4.011   1.062  -0.619  1.00  0.00           C  
HETATM   25  C   UNL     1       5.363   0.972   0.039  1.00  0.00           C  
HETATM   26  C   UNL     1       5.591   1.616   1.241  1.00  0.00           C  
HETATM   27  C   UNL     1       6.832   1.534   1.845  1.00  0.00           C  
HETATM   28  C   UNL     1       7.845   0.807   1.248  1.00  0.00           C  
HETATM   29  C   UNL     1       7.616   0.162   0.047  1.00  0.00           C  
HETATM   30  C   UNL     1       6.374   0.241  -0.555  1.00  0.00           C  
HETATM   31  H   UNL     1      -4.039   4.985  -1.013  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.462   5.516   0.632  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.777   5.100   0.237  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.341   0.917   1.191  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.685   1.363   0.404  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.221   0.767  -1.208  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.949  -0.508   1.661  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.620  -3.069   1.862  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.671  -3.871   0.414  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.002  -0.135  -1.513  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.915  -1.818  -1.235  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.387  -0.367  -2.122  1.00  0.00           H  
HETATM   43  H   UNL     1       1.829  -1.637   1.193  1.00  0.00           H  
HETATM   44  H   UNL     1       0.182  -2.270   0.963  1.00  0.00           H  
HETATM   45  H   UNL     1       3.009  -0.011   0.958  1.00  0.00           H  
HETATM   46  H   UNL     1       3.590  -1.037  -0.375  1.00  0.00           H  
HETATM   47  H   UNL     1       4.128   0.989  -1.700  1.00  0.00           H  
HETATM   48  H   UNL     1       3.547   2.015  -0.367  1.00  0.00           H  
HETATM   49  H   UNL     1       4.800   2.184   1.708  1.00  0.00           H  
HETATM   50  H   UNL     1       7.010   2.038   2.783  1.00  0.00           H  
HETATM   51  H   UNL     1       8.814   0.743   1.719  1.00  0.00           H  
HETATM   52  H   UNL     1       8.408  -0.406  -0.420  1.00  0.00           H  
HETATM   53  H   UNL     1       6.195  -0.267  -1.492  1.00  0.00           H  
HETATM   54  H   UNL     1       2.352  -5.019  -0.123  1.00  0.00           H  
CONECT    1   31   32   33    2                                       
CONECT    2    3    1                                                 
CONECT    3    2    5    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    3   12   34    6                                       
CONECT    6    7    5   35   36                                       
CONECT    7    6   11    8    8                                       
CONECT    8    9    7    7   37                                       
CONECT    9    8   10   38                                            
CONECT   10    9   11   11   39                                       
CONECT   11    7   10   10                                            
CONECT   12    5   40   13                                            
CONECT   13   12   15   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   13   41   42   16                                       
CONECT   16   15   17   21                                            
CONECT   17   16   18   43   44                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18   54                                                 
CONECT   20   18   18                                                 
CONECT   21   16   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   45   46   24                                       
CONECT   24   25   23   47   48                                       
CONECT   25   24   30   30   26                                       
CONECT   26   27   27   25   49                                       
CONECT   27   26   26   28   50                                       
CONECT   28   27   29   29   51                                       
CONECT   29   28   28   52   30                                       
CONECT   30   25   25   29   53                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   19                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
