COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.960   0.062   0.796  1.00  0.00           C  
HETATM    2  O   UNL     1       2.764   0.168   5.572  1.00  0.00           O  
HETATM    3  C   UNL     1       3.771   0.162   4.558  1.00  0.00           C  
HETATM    4  O   UNL     1       0.433   0.164   7.031  1.00  0.00           O  
HETATM    5  C   UNL     1       0.455  -1.196   7.464  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.997   0.128   5.747  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.076   0.104   4.810  1.00  0.00           C  
HETATM    8  C   UNL     1       0.228   0.082   1.425  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.014   0.038  -0.674  1.00  0.00           C  
HETATM   10  C   UNL     1       0.281   0.106   2.896  1.00  0.00           C  
HETATM   11  C   UNL     1       0.171   0.043  -1.418  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.250   0.017  -1.329  1.00  0.00           C  
HETATM   13  C   UNL     1       1.516   0.127   3.552  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.901   0.106   3.641  1.00  0.00           C  
HETATM   15  C   UNL     1       0.120   0.016  -2.782  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.300  -0.003  -2.693  1.00  0.00           C  
HETATM   17  C   UNL     1       1.563   0.148   4.934  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.847   0.128   5.022  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.115  -0.004  -3.436  1.00  0.00           C  
HETATM   20  C   UNL     1       0.383   0.143   5.672  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.169  -0.027  -4.911  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.027  -0.027  -5.627  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.081  -0.050  -7.091  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.243  -0.045  -5.479  1.00  0.00           O  
HETATM   25  C   UNL     1       1.341  -0.046  -7.653  1.00  0.00           C  
HETATM   26  C   UNL     1       1.285  -0.069  -9.182  1.00  0.00           C  
HETATM   27  O   UNL     1       2.614  -0.065  -9.707  1.00  0.00           O  
HETATM   28  H   UNL     1      -1.875   0.063   1.370  1.00  0.00           H  
HETATM   29  H   UNL     1       4.756   0.177   5.025  1.00  0.00           H  
HETATM   30  H   UNL     1       3.670  -0.738   3.952  1.00  0.00           H  
HETATM   31  H   UNL     1       3.655   1.041   3.925  1.00  0.00           H  
HETATM   32  H   UNL     1       0.495  -1.231   8.553  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.446  -1.702   7.118  1.00  0.00           H  
HETATM   34  H   UNL     1       1.332  -1.695   7.052  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.024   0.103   5.348  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.022   0.984   4.170  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.005  -0.794   4.198  1.00  0.00           H  
HETATM   38  H   UNL     1       1.142   0.081   0.851  1.00  0.00           H  
HETATM   39  H   UNL     1       1.125   0.059  -0.913  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.165   0.017  -0.755  1.00  0.00           H  
HETATM   41  H   UNL     1       2.432   0.127   2.980  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.856   0.090   3.137  1.00  0.00           H  
HETATM   43  H   UNL     1       1.035   0.015  -3.356  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.254  -0.020  -3.199  1.00  0.00           H  
HETATM   45  H   UNL     1       0.829  -0.013  -5.173  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.616   0.829  -7.448  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.600  -0.950  -7.421  1.00  0.00           H  
HETATM   48  H   UNL     1       1.876  -0.925  -7.296  1.00  0.00           H  
HETATM   49  H   UNL     1       1.860   0.853  -7.323  1.00  0.00           H  
HETATM   50  H   UNL     1       0.750   0.810  -9.540  1.00  0.00           H  
HETATM   51  H   UNL     1       0.766  -0.969  -9.513  1.00  0.00           H  
HETATM   52  H   UNL     1       2.534  -0.081 -10.671  1.00  0.00           H  
CONECT    1    8    8    9   28                                       
CONECT    2    3   17                                                 
CONECT    3    2   29   30   31                                       
CONECT    4    5   20                                                 
CONECT    5    4   32   33   34                                       
CONECT    6    7   18                                                 
CONECT    7    6   35   36   37                                       
CONECT    8    1    1   10   38                                       
CONECT    9    1   11   11   12                                       
CONECT   10    8   13   13   14                                       
CONECT   11    9    9   15   39                                       
CONECT   12    9   16   16   40                                       
CONECT   13   10   10   17   41                                       
CONECT   14   10   18   18   42                                       
CONECT   15   11   19   19   43                                       
CONECT   16   12   12   19   44                                       
CONECT   17    2   13   20   20                                       
CONECT   18    6   14   14   20                                       
CONECT   19   15   15   16   21                                       
CONECT   20    4   17   17   18                                       
CONECT   21   19   22   24   24                                       
CONECT   22   21   23   45                                            
CONECT   23   22   25   46   47                                       
CONECT   24   21   21                                                 
CONECT   25   23   26   48   49                                       
CONECT   26   25   27   50   51                                       
CONECT   27   26   52                                                 
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
