COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.980   0.105   0.189  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.729  -0.591  -0.278  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.503   0.122   0.296  1.00  0.00           C  
HETATM    4  C   UNL     1       0.768  -0.585  -0.178  1.00  0.00           C  
HETATM    5  C   UNL     1       1.993   0.129   0.396  1.00  0.00           C  
HETATM    6  C   UNL     1       5.695   2.068   0.333  1.00  0.00           C  
HETATM    7  C   UNL     1       6.942   1.292  -0.102  1.00  0.00           C  
HETATM    8  C   UNL     1       6.878  -0.126   0.473  1.00  0.00           C  
HETATM    9  C   UNL     1       5.583  -0.797   0.004  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.189  -0.352  -0.194  1.00  0.00           N  
HETATM   11  O   UNL     1      -2.901   1.074   0.914  1.00  0.00           O  
HETATM   12  O   UNL     1       3.181  -0.532  -0.048  1.00  0.00           O  
HETATM   13  C   UNL     1       4.389   0.059   0.435  1.00  0.00           C  
HETATM   14  O   UNL     1       4.527   1.374  -0.108  1.00  0.00           O  
HETATM   15  C   UNL     1       5.722   3.466  -0.287  1.00  0.00           C  
HETATM   16  O   UNL     1       4.620   4.229   0.210  1.00  0.00           O  
HETATM   17  O   UNL     1       6.991   1.227  -1.529  1.00  0.00           O  
HETATM   18  O   UNL     1       8.001  -0.880   0.012  1.00  0.00           O  
HETATM   19  N   UNL     1       5.475  -2.127   0.608  1.00  0.00           N  
HETATM   20  C   UNL     1       4.744  -3.085   0.003  1.00  0.00           C  
HETATM   21  C   UNL     1       4.633  -4.453   0.624  1.00  0.00           C  
HETATM   22  O   UNL     1       4.176  -2.845  -1.041  1.00  0.00           O  
HETATM   23  H   UNL     1      -1.740  -1.626   0.064  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.685  -0.569  -1.367  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.492   1.157  -0.046  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.546   0.100   1.385  1.00  0.00           H  
HETATM   27  H   UNL     1       0.757  -1.620   0.164  1.00  0.00           H  
HETATM   28  H   UNL     1       0.811  -0.563  -1.267  1.00  0.00           H  
HETATM   29  H   UNL     1       2.004   1.164   0.053  1.00  0.00           H  
HETATM   30  H   UNL     1       1.950   0.107   1.484  1.00  0.00           H  
HETATM   31  H   UNL     1       5.680   2.151   1.419  1.00  0.00           H  
HETATM   32  H   UNL     1       7.833   1.797   0.271  1.00  0.00           H  
HETATM   33  H   UNL     1       6.891  -0.079   1.562  1.00  0.00           H  
HETATM   34  H   UNL     1       5.593  -0.889  -1.082  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.253  -1.127  -0.774  1.00  0.00           H  
HETATM   36  H   UNL     1       4.357   0.116   1.523  1.00  0.00           H  
HETATM   37  H   UNL     1       6.656   3.963  -0.023  1.00  0.00           H  
HETATM   38  H   UNL     1       5.648   3.385  -1.371  1.00  0.00           H  
HETATM   39  H   UNL     1       4.575   5.128  -0.142  1.00  0.00           H  
HETATM   40  H   UNL     1       7.028   2.092  -1.961  1.00  0.00           H  
HETATM   41  H   UNL     1       8.856  -0.508   0.267  1.00  0.00           H  
HETATM   42  H   UNL     1       5.929  -2.319   1.443  1.00  0.00           H  
HETATM   43  H   UNL     1       5.205  -4.479   1.551  1.00  0.00           H  
HETATM   44  H   UNL     1       3.586  -4.671   0.837  1.00  0.00           H  
HETATM   45  H   UNL     1       5.026  -5.199  -0.067  1.00  0.00           H  
HETATM   46  C   UNL     1      -5.406   0.322   0.265  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.632  -0.391  -0.310  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.903   0.313   0.169  1.00  0.00           C  
HETATM   49  N   UNL     1      -9.076  -0.370  -0.381  1.00  0.00           N  
HETATM   50  C   UNL     1     -10.314   0.077  -0.091  1.00  0.00           C  
HETATM   51  C   UNL     1     -11.521  -0.625  -0.658  1.00  0.00           C  
HETATM   52  C   UNL     1     -12.792   0.079  -0.178  1.00  0.00           C  
HETATM   53  O   UNL     1     -10.457   1.045   0.625  1.00  0.00           O  
HETATM   54  H   UNL     1      -5.448   0.295   1.354  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.397   1.358  -0.073  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.590  -0.364  -1.399  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.641  -1.427   0.028  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.944   0.286   1.258  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.894   1.349  -0.168  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.962  -1.145  -0.954  1.00  0.00           H  
HETATM   61  H   UNL     1     -11.479  -0.598  -1.746  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.530  -1.661  -0.320  1.00  0.00           H  
HETATM   63  H   UNL     1     -12.834   0.052   0.911  1.00  0.00           H  
HETATM   64  H   UNL     1     -12.783   1.115  -0.516  1.00  0.00           H  
HETATM   65  H   UNL     1     -13.665  -0.430  -0.588  1.00  0.00           H  
CONECT    1    2   10   11   11                                       
CONECT    2    3    1   23   24                                       
CONECT    3    4    2   25   26                                       
CONECT    4    5    3   27   28                                       
CONECT    5   12    4   29   30                                       
CONECT    6   15    7   14   31                                       
CONECT    7   17    6    8   32                                       
CONECT    8    7   18    9   33                                       
CONECT    9    8   13   19   34                                       
CONECT   10    1   35   46                                            
CONECT   11    1    1                                                 
CONECT   12   13    5                                                 
CONECT   13   14    9   12   36                                       
CONECT   14    6   13                                                 
CONECT   15   16    6   37   38                                       
CONECT   16   15   39                                                 
CONECT   17    7   40                                                 
CONECT   18    8   41                                                 
CONECT   19    9   20   42                                            
CONECT   20   22   22   19   21                                       
CONECT   21   20   43   44   45                                       
CONECT   22   20   20                                                 
CONECT   23    2                                                      
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   10   47   54   55                                       
CONECT   47   46   48   56   57                                       
CONECT   48   47   49   58   59                                       
CONECT   49   48   50   60                                            
CONECT   50   49   51   53   53                                       
CONECT   51   50   52   61   62                                       
CONECT   52   51   63   64   65                                       
CONECT   53   50   50                                                 
CONECT   54   46                                                      
CONECT   55   46                                                      
CONECT   56   47                                                      
CONECT   57   47                                                      
CONECT   58   48                                                      
CONECT   59   48                                                      
CONECT   60   49                                                      
CONECT   61   51                                                      
CONECT   62   51                                                      
CONECT   63   52                                                      
CONECT   64   52                                                      
CONECT   65   52                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
