COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.767  -1.753  -0.175  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.018  -2.098  -0.525  1.00  0.00           N  
HETATM    3  C   UNL     1       0.849  -0.539  -0.336  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.379  -0.938  -1.161  1.00  0.00           C  
HETATM    5  N   UNL     1      -4.579  -1.201  -0.528  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.203  -3.287  -0.242  1.00  0.00           C  
HETATM    7  C   UNL     1       1.023  -2.862   0.572  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.328  -2.072  -0.208  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.151  -0.845  -0.505  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.929   0.200   0.589  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.921   1.324   0.437  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.059   1.185  -0.330  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.844  -3.036   0.316  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.370  -0.091  -1.067  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.949   2.244  -0.436  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.701   3.434   0.218  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.558   3.572   0.984  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.672   2.520   1.093  1.00  0.00           C  
HETATM   19  H   UNL     1       2.066  -2.115  -1.159  1.00  0.00           H  
HETATM   20  H   UNL     1       0.530  -0.191   0.647  1.00  0.00           H  
HETATM   21  H   UNL     1       1.387   0.259  -0.847  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.070  -1.199  -2.173  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.082  -0.106  -1.194  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.901  -1.462   0.392  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.790  -4.005   0.330  1.00  0.00           H  
HETATM   26  H   UNL     1       0.118  -3.741  -1.179  1.00  0.00           H  
HETATM   27  H   UNL     1       1.685  -3.717   0.707  1.00  0.00           H  
HETATM   28  H   UNL     1       0.702  -2.492   1.546  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.862  -0.431  -1.471  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.057  -0.266   1.566  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.918   0.599   0.508  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.138   0.038  -2.124  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.431  -0.319  -0.960  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.842   2.136  -1.034  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.397   4.254   0.131  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.359   4.502   1.496  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.780   2.628   1.692  1.00  0.00           H  
HETATM   38  C   UNL     1       2.992  -1.355   0.607  1.00  0.00           C  
HETATM   39  N   UNL     1       3.806  -0.389   0.138  1.00  0.00           N  
HETATM   40  C   UNL     1       4.998  -0.002   0.899  1.00  0.00           C  
HETATM   41  C   UNL     1       5.731   1.090   0.163  1.00  0.00           C  
HETATM   42  O   UNL     1       3.245  -1.904   1.658  1.00  0.00           O  
HETATM   43  C   UNL     1       5.529   2.411   0.312  1.00  0.00           C  
HETATM   44  C   UNL     1       6.425   3.064  -0.565  1.00  0.00           C  
HETATM   45  C   UNL     1       7.121   2.103  -1.198  1.00  0.00           C  
HETATM   46  O   UNL     1       6.700   0.909  -0.749  1.00  0.00           O  
HETATM   47  H   UNL     1       3.604   0.051  -0.702  1.00  0.00           H  
HETATM   48  H   UNL     1       4.699   0.360   1.883  1.00  0.00           H  
HETATM   49  H   UNL     1       5.652  -0.866   1.013  1.00  0.00           H  
HETATM   50  H   UNL     1       4.818   2.883   0.975  1.00  0.00           H  
HETATM   51  H   UNL     1       6.530   4.131  -0.701  1.00  0.00           H  
HETATM   52  H   UNL     1       7.890   2.264  -1.938  1.00  0.00           H  
CONECT    1    3    7   19   38                                       
CONECT    2    4    8    6                                            
CONECT    3    4    1   20   21                                       
CONECT    4    3    2   22   23                                       
CONECT    5   14    9   24                                            
CONECT    6    2    7   25   26                                       
CONECT    7    1    6   27   28                                       
CONECT    8    9    2   13   13                                       
CONECT    9    5   10    8   29                                       
CONECT   10   11    9   30   31                                       
CONECT   11   12   12   18   10                                       
CONECT   12   15   14   11   11                                       
CONECT   13    8    8                                                 
CONECT   14   12    5   32   33                                       
CONECT   15   16   16   12   34                                       
CONECT   16   15   15   17   35                                       
CONECT   17   16   18   18   36                                       
CONECT   18   17   17   11   37                                       
CONECT   19    1                                                      
CONECT   20    3                                                      
CONECT   21    3                                                      
CONECT   22    4                                                      
CONECT   23    4                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   14                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38    1   39   42   42                                       
CONECT   39   38   40   47                                            
CONECT   40   39   41   48   49                                       
CONECT   41   40   43   43   46                                       
CONECT   42   38   38                                                 
CONECT   43   41   41   44   50                                       
CONECT   44   43   45   45   51                                       
CONECT   45   44   44   46   52                                       
CONECT   46   41   45                                                 
CONECT   47   39                                                      
CONECT   48   40                                                      
CONECT   49   40                                                      
CONECT   50   43                                                      
CONECT   51   44                                                      
CONECT   52   45                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
