COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.963   1.122  -1.250  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.651   1.337  -1.203  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.808   0.540  -0.298  1.00  0.00           C  
HETATM    4  O   UNL     1      -7.310  -0.315   0.406  1.00  0.00           O  
HETATM    5  N   UNL     1      -5.479   0.758  -0.250  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.639  -0.036   0.651  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.203   0.401   0.514  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.710   1.413   1.319  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.395   1.815   1.196  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.567   1.204   0.263  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.066   0.189  -0.543  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.380  -0.213  -0.412  1.00  0.00           C  
HETATM   13  N   UNL     1       0.766   1.610   0.136  1.00  0.00           N  
HETATM   14  C   UNL     1       1.834   0.773  -0.018  1.00  0.00           C  
HETATM   15  C   UNL     1       2.971   1.566  -0.107  1.00  0.00           C  
HETATM   16  C   UNL     1       2.517   2.959   0.005  1.00  0.00           C  
HETATM   17  N   UNL     1       1.211   2.938   0.140  1.00  0.00           N  
HETATM   18  C   UNL     1       3.542   4.012  -0.061  1.00  0.00           C  
HETATM   19  N   UNL     1       4.834   3.654  -0.209  1.00  0.00           N  
HETATM   20  N   UNL     1       5.238   2.324  -0.303  1.00  0.00           N  
HETATM   21  C   UNL     1       4.405   1.319  -0.275  1.00  0.00           C  
HETATM   22  O   UNL     1       3.230   5.187   0.016  1.00  0.00           O  
HETATM   23  N   UNL     1       4.881   0.015  -0.373  1.00  0.00           N  
HETATM   24  C   UNL     1       1.790  -0.693  -0.078  1.00  0.00           C  
HETATM   25  C   UNL     1       1.223  -1.498   0.860  1.00  0.00           C  
HETATM   26  C   UNL     1       1.413  -2.869   0.386  1.00  0.00           C  
HETATM   27  C   UNL     1       2.102  -2.758  -0.836  1.00  0.00           C  
HETATM   28  O   UNL     1       2.299  -1.445  -1.075  1.00  0.00           O  
HETATM   29  C   UNL     1       0.538  -1.065   2.130  1.00  0.00           C  
HETATM   30  C   UNL     1       1.068  -4.127   0.883  1.00  0.00           C  
HETATM   31  C   UNL     1       1.401  -5.249   0.177  1.00  0.00           C  
HETATM   32  C   UNL     1       2.079  -5.146  -1.028  1.00  0.00           C  
HETATM   33  C   UNL     1       2.430  -3.911  -1.536  1.00  0.00           C  
HETATM   34  C   UNL     1       1.029  -6.608   0.712  1.00  0.00           C  
HETATM   35  H   UNL     1      -9.582   1.707  -1.914  1.00  0.00           H  
HETATM   36  H   UNL     1      -9.408   0.360  -0.628  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.205   2.096  -1.828  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.078   1.439  -0.812  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.968   0.114   1.680  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.724  -1.091   0.392  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.354   1.888   2.044  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.010   2.605   1.824  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.424  -0.289  -1.270  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.768  -1.003  -1.038  1.00  0.00           H  
HETATM   45  H   UNL     1       5.508   4.350  -0.253  1.00  0.00           H  
HETATM   46  H   UNL     1       5.820  -0.145  -0.554  1.00  0.00           H  
HETATM   47  H   UNL     1       4.273  -0.732  -0.261  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.538  -1.003   1.961  1.00  0.00           H  
HETATM   49  H   UNL     1       0.740  -1.790   2.918  1.00  0.00           H  
HETATM   50  H   UNL     1       0.914  -0.087   2.431  1.00  0.00           H  
HETATM   51  H   UNL     1       0.540  -4.213   1.822  1.00  0.00           H  
HETATM   52  H   UNL     1       2.337  -6.041  -1.575  1.00  0.00           H  
HETATM   53  H   UNL     1       2.958  -3.843  -2.475  1.00  0.00           H  
HETATM   54  H   UNL     1       0.043  -6.887   0.341  1.00  0.00           H  
HETATM   55  H   UNL     1       1.763  -7.343   0.381  1.00  0.00           H  
HETATM   56  H   UNL     1       1.012  -6.578   1.802  1.00  0.00           H  
CONECT    1    2    2   35   36                                       
CONECT    2    3    1    1   37                                       
CONECT    3    5    4    4    2                                       
CONECT    4    3    3                                                 
CONECT    5    6    3   38                                            
CONECT    6    7    5   39   40                                       
CONECT    7   12    6    8    8                                       
CONECT    8    7    7    9   41                                       
CONECT    9   10   10    8   42                                       
CONECT   10   11   13    9    9                                       
CONECT   11   12   12   10   43                                       
CONECT   12   11   11    7   44                                       
CONECT   13   17   14   10                                            
CONECT   14   15   15   13   24                                       
CONECT   15   16   21   14   14                                       
CONECT   16   18   17   17   15                                       
CONECT   17   16   16   13                                            
CONECT   18   22   22   19   16                                       
CONECT   19   18   20   45                                            
CONECT   20   19   21   21                                            
CONECT   21   20   20   15   23                                       
CONECT   22   18   18                                                 
CONECT   23   21   46   47                                            
CONECT   24   25   25   14   28                                       
CONECT   25   29   24   24   26                                       
CONECT   26   25   30   30   27                                       
CONECT   27   26   28   33   33                                       
CONECT   28   24   27                                                 
CONECT   29   25   48   49   50                                       
CONECT   30   26   26   31   51                                       
CONECT   31   30   34   32   32                                       
CONECT   32   31   31   33   52                                       
CONECT   33   27   27   32   53                                       
CONECT   34   31   54   55   56                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   19                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   32                                                      
CONECT   53   33                                                      
CONECT   54   34                                                      
CONECT   55   34                                                      
CONECT   56   34                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
