COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.105  -2.891  -0.282  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.221  -2.181  -0.218  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.107  -1.285  -0.137  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.061  -1.604   0.619  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.017  -0.814   0.724  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.970   0.402   0.036  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.053   0.772  -0.770  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.130  -0.089  -0.858  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.791   1.286   0.159  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.485   0.902   0.101  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.558  -0.275  -0.070  1.00  0.00           C  
HETATM   12  C   UNL     1       0.844   0.280   0.005  1.00  0.00           C  
HETATM   13  C   UNL     1       0.745   1.655   0.201  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.686   2.046   0.261  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.487   3.085   0.411  1.00  0.00           N  
HETATM   16  N   UNL     1      -2.812   2.638   0.346  1.00  0.00           N  
HETATM   17  C   UNL     1       1.909   2.419   0.305  1.00  0.00           C  
HETATM   18  C   UNL     1       3.144   1.813   0.215  1.00  0.00           C  
HETATM   19  C   UNL     1       4.398   2.641   0.329  1.00  0.00           C  
HETATM   20  C   UNL     1       4.887   3.020  -1.071  1.00  0.00           C  
HETATM   21  C   UNL     1       3.235   0.441   0.019  1.00  0.00           C  
HETATM   22  C   UNL     1       2.080  -0.323  -0.085  1.00  0.00           C  
HETATM   23  O   UNL     1       4.453  -0.153  -0.069  1.00  0.00           O  
HETATM   24  C   UNL     1       4.474  -1.546  -0.387  1.00  0.00           C  
HETATM   25  C   UNL     1       4.306  -2.403   0.886  1.00  0.00           C  
HETATM   26  O   UNL     1       5.198  -3.519   0.777  1.00  0.00           O  
HETATM   27  C   UNL     1       5.894  -3.470  -0.479  1.00  0.00           C  
HETATM   28  C   UNL     1       5.878  -1.977  -0.892  1.00  0.00           C  
HETATM   29  H   UNL     1      -3.186  -1.108   1.348  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.045   1.705  -1.313  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.983   0.164  -1.470  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.718  -0.998   0.731  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.724  -0.746  -1.038  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.605   3.191   0.426  1.00  0.00           H  
HETATM   35  H   UNL     1       1.842   3.487   0.457  1.00  0.00           H  
HETATM   36  H   UNL     1       4.185   3.546   0.897  1.00  0.00           H  
HETATM   37  H   UNL     1       5.169   2.064   0.839  1.00  0.00           H  
HETATM   38  H   UNL     1       5.100   2.115  -1.639  1.00  0.00           H  
HETATM   39  H   UNL     1       4.116   3.597  -1.581  1.00  0.00           H  
HETATM   40  H   UNL     1       5.794   3.619  -0.988  1.00  0.00           H  
HETATM   41  H   UNL     1       2.151  -1.390  -0.237  1.00  0.00           H  
HETATM   42  H   UNL     1       3.704  -1.786  -1.121  1.00  0.00           H  
HETATM   43  H   UNL     1       4.560  -1.812   1.766  1.00  0.00           H  
HETATM   44  H   UNL     1       3.278  -2.757   0.960  1.00  0.00           H  
HETATM   45  H   UNL     1       6.920  -3.818  -0.356  1.00  0.00           H  
HETATM   46  H   UNL     1       5.376  -4.076  -1.222  1.00  0.00           H  
HETATM   47  H   UNL     1       5.957  -1.868  -1.974  1.00  0.00           H  
HETATM   48  H   UNL     1       6.666  -1.420  -0.384  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    3    1    1    1                                       
CONECT    3    4    4    8    2                                       
CONECT    4    5    3    3                                            
CONECT    5    6    6    4   29                                       
CONECT    6    9    5    5    7                                       
CONECT    7    6    8    8   30                                       
CONECT    8    7    7    3   31                                       
CONECT    9   16   10   10    6                                       
CONECT   10   14    9    9   11                                       
CONECT   11   12   10   32   33                                       
CONECT   12   13   13   22   11                                       
CONECT   13   17   14   12   12                                       
CONECT   14   15   15   13   10                                       
CONECT   15   14   14   16                                            
CONECT   16   15    9   34                                            
CONECT   17   18   18   13   35                                       
CONECT   18   19   17   17   21                                       
CONECT   19   20   18   36   37                                       
CONECT   20   19   38   39   40                                       
CONECT   21   18   23   22   22                                       
CONECT   22   21   21   12   41                                       
CONECT   23   24   21                                                 
CONECT   24   28   25   23   42                                       
CONECT   25   24   26   43   44                                       
CONECT   26   27   25                                                 
CONECT   27   28   26   45   46                                       
CONECT   28   24   27   47   48                                       
CONECT   29    5                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   22                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
