COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.261   2.271   1.599  1.00  0.00           N  
HETATM    2  N   UNL     1      -0.285   0.293  -1.156  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.708   0.220  -0.814  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.342   1.604  -0.970  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.820   1.534  -0.582  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.967   1.174   0.880  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.839   0.058   1.337  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.336   3.463   0.746  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.470   2.929  -0.697  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.397  -0.755  -1.733  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.284  -2.064  -1.520  1.00  0.00           C  
HETATM   12  H   UNL     1      -4.409   2.274   2.558  1.00  0.00           H  
HETATM   13  H   UNL     1       0.006   0.100  -2.061  1.00  0.00           H  
HETATM   14  H   UNL     1      -1.816  -0.115   0.218  1.00  0.00           H  
HETATM   15  H   UNL     1      -1.829   2.314  -0.322  1.00  0.00           H  
HETATM   16  H   UNL     1      -2.254   1.929  -2.007  1.00  0.00           H  
HETATM   17  H   UNL     1      -4.345   0.811  -1.207  1.00  0.00           H  
HETATM   18  H   UNL     1      -5.208   4.061   1.009  1.00  0.00           H  
HETATM   19  H   UNL     1      -3.428   4.057   0.848  1.00  0.00           H  
HETATM   20  H   UNL     1      -3.923   3.557  -1.402  1.00  0.00           H  
HETATM   21  H   UNL     1      -5.519   2.849  -0.981  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.981  -0.392  -2.566  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.862  -2.759  -2.112  1.00  0.00           H  
HETATM   24  C   UNL     1       0.618   0.629  -0.214  1.00  0.00           C  
HETATM   25  C   UNL     1       2.090   0.587  -0.534  1.00  0.00           C  
HETATM   26  C   UNL     1       2.892   1.011   0.699  1.00  0.00           C  
HETATM   27  C   UNL     1       4.364   0.969   0.380  1.00  0.00           C  
HETATM   28  C   UNL     1       4.993   2.090  -0.129  1.00  0.00           C  
HETATM   29  C   UNL     1       6.344   2.051  -0.422  1.00  0.00           C  
HETATM   30  C   UNL     1       7.065   0.892  -0.206  1.00  0.00           C  
HETATM   31  C   UNL     1       6.436  -0.229   0.304  1.00  0.00           C  
HETATM   32  C   UNL     1       5.086  -0.189   0.601  1.00  0.00           C  
HETATM   33  O   UNL     1       0.246   0.965   0.890  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.376  -2.563  -0.479  1.00  0.00           C  
HETATM   35  O   UNL     1      -1.227  -3.890  -0.294  1.00  0.00           O  
HETATM   36  C   UNL     1      -0.313  -4.312   0.753  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.276  -5.840   0.813  1.00  0.00           C  
HETATM   38  O   UNL     1      -0.758  -1.780   0.215  1.00  0.00           O  
HETATM   39  H   UNL     1       2.372  -0.427  -0.819  1.00  0.00           H  
HETATM   40  H   UNL     1       2.303   1.268  -1.357  1.00  0.00           H  
HETATM   41  H   UNL     1       2.611   2.024   0.984  1.00  0.00           H  
HETATM   42  H   UNL     1       2.679   0.329   1.523  1.00  0.00           H  
HETATM   43  H   UNL     1       4.430   2.995  -0.298  1.00  0.00           H  
HETATM   44  H   UNL     1       6.835   2.927  -0.820  1.00  0.00           H  
HETATM   45  H   UNL     1       8.120   0.862  -0.435  1.00  0.00           H  
HETATM   46  H   UNL     1       6.999  -1.134   0.472  1.00  0.00           H  
HETATM   47  H   UNL     1       4.595  -1.064   0.999  1.00  0.00           H  
HETATM   48  H   UNL     1       0.686  -3.932   0.537  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.651  -3.918   1.711  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.275  -6.219   1.029  1.00  0.00           H  
HETATM   51  H   UNL     1       0.063  -6.233  -0.146  1.00  0.00           H  
HETATM   52  H   UNL     1       0.411  -6.156   1.598  1.00  0.00           H  
CONECT    1    6    8   12                                            
CONECT    2    3   13   24                                            
CONECT    3   10    4    2   14                                       
CONECT    4    3    5   15   16                                       
CONECT    5    4    6    9   17                                       
CONECT    6    7    7    5    1                                       
CONECT    7    6    6                                                 
CONECT    8    9    1   18   19                                       
CONECT    9    5    8   20   21                                       
CONECT   10   11   11    3   22                                       
CONECT   11   10   10   23   34                                       
CONECT   12    1                                                      
CONECT   13    2                                                      
CONECT   14    3                                                      
CONECT   15    4                                                      
CONECT   16    4                                                      
CONECT   17    5                                                      
CONECT   18    8                                                      
CONECT   19    8                                                      
CONECT   20    9                                                      
CONECT   21    9                                                      
CONECT   22   10                                                      
CONECT   23   11                                                      
CONECT   24    2   25   33   33                                       
CONECT   25   24   26   39   40                                       
CONECT   26   25   27   41   42                                       
CONECT   27   26   28   32   32                                       
CONECT   28   27   29   29   43                                       
CONECT   29   28   28   30   44                                       
CONECT   30   29   31   31   45                                       
CONECT   31   30   30   32   46                                       
CONECT   32   31   27   27   47                                       
CONECT   33   24   24                                                 
CONECT   34   11   35   38   38                                       
CONECT   35   34   36                                                 
CONECT   36   35   37   48   49                                       
CONECT   37   36   50   51   52                                       
CONECT   38   34   34                                                 
CONECT   39   25                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
CONECT   43   28                                                      
CONECT   44   29                                                      
CONECT   45   30                                                      
CONECT   46   31                                                      
CONECT   47   32                                                      
CONECT   48   36                                                      
CONECT   49   36                                                      
CONECT   50   37                                                      
CONECT   51   37                                                      
CONECT   52   37                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
