COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.304   1.800  -0.589  1.00  0.00           C  
HETATM    2  C   UNL     1       2.605   0.439   0.089  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.642   0.819   1.151  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.120   0.560   0.499  1.00  0.00           C  
HETATM    5  C   UNL     1       1.247  -0.183   0.361  1.00  0.00           C  
HETATM    6  C   UNL     1       0.759   1.947  -0.613  1.00  0.00           C  
HETATM    7  C   UNL     1       0.302   1.051   0.541  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.249   1.617   0.334  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.193   2.652  -0.222  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.972   1.583  -0.079  1.00  0.00           O  
HETATM   11  C   UNL     1       0.588   1.736   1.878  1.00  0.00           C  
HETATM   12  O   UNL     1       0.378   3.305  -0.378  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.173  -0.703  -0.360  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.506  -0.863  -1.055  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.098   0.011  -1.865  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.015  -2.189  -0.650  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.117  -2.624  -0.919  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.073  -2.848   0.064  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.197  -1.865   0.667  1.00  0.00           C  
HETATM   20  C   UNL     1       0.208  -2.357   0.918  1.00  0.00           C  
HETATM   21  C   UNL     1       1.121  -1.214   1.441  1.00  0.00           C  
HETATM   22  C   UNL     1       2.503  -1.773   1.785  1.00  0.00           C  
HETATM   23  O   UNL     1       3.377  -0.408  -0.803  1.00  0.00           O  
HETATM   24  C   UNL     1       4.714  -0.337  -0.706  1.00  0.00           C  
HETATM   25  O   UNL     1       5.222   0.408   0.098  1.00  0.00           O  
HETATM   26  C   UNL     1       5.580  -1.186  -1.599  1.00  0.00           C  
HETATM   27  H   UNL     1       2.748   2.611  -0.012  1.00  0.00           H  
HETATM   28  H   UNL     1       2.697   1.806  -1.606  1.00  0.00           H  
HETATM   29  H   UNL     1       3.144   0.594   1.024  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.458   0.330   1.510  1.00  0.00           H  
HETATM   31  H   UNL     1       0.939  -0.671  -0.564  1.00  0.00           H  
HETATM   32  H   UNL     1       0.353   1.592  -1.560  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.178   2.524   0.227  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.816   3.649   0.007  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.269   2.532  -1.303  1.00  0.00           H  
HETATM   36  H   UNL     1       1.625   2.072   1.900  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.074   2.594   1.996  1.00  0.00           H  
HETATM   38  H   UNL     1       0.417   1.031   2.692  1.00  0.00           H  
HETATM   39  H   UNL     1       0.705   3.926  -1.043  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.336  -0.764  -1.055  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.620   0.954  -2.084  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.058  -0.223  -2.302  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.628  -1.515   1.605  1.00  0.00           H  
HETATM   44  H   UNL     1       0.179  -3.158   1.657  1.00  0.00           H  
HETATM   45  H   UNL     1       0.621  -2.745  -0.013  1.00  0.00           H  
HETATM   46  H   UNL     1       0.675  -0.764   2.329  1.00  0.00           H  
HETATM   47  H   UNL     1       3.147  -0.964   2.130  1.00  0.00           H  
HETATM   48  H   UNL     1       2.407  -2.522   2.571  1.00  0.00           H  
HETATM   49  H   UNL     1       2.940  -2.231   0.897  1.00  0.00           H  
HETATM   50  H   UNL     1       4.948  -1.788  -2.252  1.00  0.00           H  
HETATM   51  H   UNL     1       6.219  -0.543  -2.204  1.00  0.00           H  
HETATM   52  H   UNL     1       6.200  -1.842  -0.988  1.00  0.00           H  
CONECT    1    2    6   27   28                                       
CONECT    2   23    1    5   29                                       
CONECT    3    8    8                                                 
CONECT    4    7   13   10   30                                       
CONECT    5    2   21    7   31                                       
CONECT    6    1    7   12   32                                       
CONECT    7    5    6   11    4                                       
CONECT    8    3    3    9   10                                       
CONECT    9    8   33   34   35                                       
CONECT   10    8    4                                                 
CONECT   11    7   36   37   38                                       
CONECT   12    6   39                                                 
CONECT   13   19    4   14   40                                       
CONECT   14   13   16   15   15                                       
CONECT   15   14   14   41   42                                       
CONECT   16   18   14   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   19   16                                                 
CONECT   19   20   18   13   43                                       
CONECT   20   21   19   44   45                                       
CONECT   21   22    5   20   46                                       
CONECT   22   21   47   48   49                                       
CONECT   23   24    2                                                 
CONECT   24   26   25   25   23                                       
CONECT   25   24   24                                                 
CONECT   26   24   50   51   52                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
