COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.270   2.427  -1.298  1.00  0.00           C  
HETATM    2  C   UNL     1       6.246  -0.057  -0.890  1.00  0.00           C  
HETATM    3  C   UNL     1       5.166  -0.139   0.158  1.00  0.00           C  
HETATM    4  C   UNL     1       5.494  -0.044   1.498  1.00  0.00           C  
HETATM    5  C   UNL     1       4.506  -0.119   2.462  1.00  0.00           C  
HETATM    6  C   UNL     1       6.926   1.279  -0.794  1.00  0.00           C  
HETATM    7  C   UNL     1       8.144   1.408  -0.241  1.00  0.00           C  
HETATM    8  C   UNL     1       8.784   2.770  -0.158  1.00  0.00           C  
HETATM    9  C   UNL     1       8.436  -0.944  -0.125  1.00  0.00           C  
HETATM   10  C   UNL     1       9.388  -2.094   0.082  1.00  0.00           C  
HETATM   11  C   UNL     1       7.230  -1.171  -0.673  1.00  0.00           C  
HETATM   12  C   UNL     1       6.880  -2.487  -1.055  1.00  0.00           C  
HETATM   13  C   UNL     1       6.203  -4.706  -0.571  1.00  0.00           C  
HETATM   14  N   UNL     1       1.518  -0.555   0.364  1.00  0.00           N  
HETATM   15  N   UNL     1      -0.756  -0.225   0.777  1.00  0.00           N  
HETATM   16  O   UNL     1       6.282   2.659  -2.492  1.00  0.00           O  
HETATM   17  O   UNL     1       6.880  -2.800  -2.231  1.00  0.00           O  
HETATM   18  O   UNL     1       6.546  -3.396  -0.115  1.00  0.00           O  
HETATM   19  O   UNL     1       0.809   0.785   1.988  1.00  0.00           O  
HETATM   20  C   UNL     1       0.534   0.029   1.076  1.00  0.00           C  
HETATM   21  C   UNL     1       2.854  -0.383   0.745  1.00  0.00           C  
HETATM   22  C   UNL     1       3.187  -0.288   2.090  1.00  0.00           C  
HETATM   23  C   UNL     1       3.848  -0.302  -0.221  1.00  0.00           C  
HETATM   24  N   UNL     1       8.810   0.318   0.249  1.00  0.00           N  
HETATM   25  O   UNL     1       5.626   3.261  -0.454  1.00  0.00           O  
HETATM   26  C   UNL     1       4.986   4.400  -1.032  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.826   0.410   1.551  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.184  -0.043   1.011  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.301   0.620   1.819  1.00  0.00           C  
HETATM   30  N   UNL     1      -5.604   0.185   1.301  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.693   0.607   2.191  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.015   0.015   1.700  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.285   0.495   0.271  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.114   0.084  -0.626  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.817   0.675  -0.067  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.556  -0.131  -0.240  1.00  0.00           C  
HETATM   37  C   UNL     1     -10.613   0.670  -0.628  1.00  0.00           C  
HETATM   38  C   UNL     1     -11.781   0.092  -1.104  1.00  0.00           C  
HETATM   39  O   UNL     1     -12.822   0.878  -1.487  1.00  0.00           O  
HETATM   40  C   UNL     1     -13.993   0.215  -1.967  1.00  0.00           C  
HETATM   41  C   UNL     1     -11.885  -1.288  -1.188  1.00  0.00           C  
HETATM   42  C   UNL     1     -10.826  -2.085  -0.799  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.663  -1.507  -0.325  1.00  0.00           C  
HETATM   44  H   UNL     1       5.796  -0.162  -1.877  1.00  0.00           H  
HETATM   45  H   UNL     1       6.525   0.088   1.792  1.00  0.00           H  
HETATM   46  H   UNL     1       4.766  -0.046   3.508  1.00  0.00           H  
HETATM   47  H   UNL     1       8.576   3.210   0.817  1.00  0.00           H  
HETATM   48  H   UNL     1       9.861   2.674  -0.291  1.00  0.00           H  
HETATM   49  H   UNL     1       8.376   3.411  -0.940  1.00  0.00           H  
HETATM   50  H   UNL     1      10.070  -2.158  -0.765  1.00  0.00           H  
HETATM   51  H   UNL     1       9.958  -1.934   0.997  1.00  0.00           H  
HETATM   52  H   UNL     1       8.823  -3.023   0.165  1.00  0.00           H  
HETATM   53  H   UNL     1       5.956  -5.335   0.283  1.00  0.00           H  
HETATM   54  H   UNL     1       5.343  -4.645  -1.238  1.00  0.00           H  
HETATM   55  H   UNL     1       7.049  -5.136  -1.107  1.00  0.00           H  
HETATM   56  H   UNL     1       1.301  -1.095  -0.412  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.975  -0.827   0.050  1.00  0.00           H  
HETATM   58  H   UNL     1       2.416  -0.351   2.843  1.00  0.00           H  
HETATM   59  H   UNL     1       3.592  -0.375  -1.268  1.00  0.00           H  
HETATM   60  H   UNL     1       5.728   5.015  -1.542  1.00  0.00           H  
HETATM   61  H   UNL     1       4.233   4.070  -1.748  1.00  0.00           H  
HETATM   62  H   UNL     1       4.507   4.985  -0.247  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.737   0.122   2.599  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.743   1.493   1.464  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.273   0.245  -0.036  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.266  -1.127   1.098  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.212   0.332   2.867  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.218   1.703   1.732  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.491   0.255   3.203  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.760   1.695   2.192  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.954  -1.073   1.712  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.825   0.341   2.353  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.385   1.581   0.265  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.038  -1.003  -0.650  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.279   0.461  -1.636  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.889   1.763  -0.056  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.980   0.372  -0.696  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.529   1.744  -0.561  1.00  0.00           H  
HETATM   79  H   UNL     1     -14.745   0.957  -2.238  1.00  0.00           H  
HETATM   80  H   UNL     1     -13.739  -0.382  -2.842  1.00  0.00           H  
HETATM   81  H   UNL     1     -14.389  -0.434  -1.186  1.00  0.00           H  
HETATM   82  H   UNL     1     -12.794  -1.740  -1.558  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.907  -3.160  -0.864  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.834  -2.132  -0.025  1.00  0.00           H  
HETATM   85  H   UNL     1       9.550   0.440   0.863  1.00  0.00           H  
CONECT    1   25   16   16    6                                       
CONECT    2    3    6   11   44                                       
CONECT    3   23   23    4    2                                       
CONECT    4    5    5    3   45                                       
CONECT    5   22    4    4   46                                       
CONECT    6    2    7    7    1                                       
CONECT    7    6    6    8   24                                       
CONECT    8    7   47   48   49                                       
CONECT    9   11   11   24   10                                       
CONECT   10    9   50   51   52                                       
CONECT   11    2    9    9   12                                       
CONECT   12   17   17   18   11                                       
CONECT   13   18   53   54   55                                       
CONECT   14   20   21   56                                            
CONECT   15   27   20   57                                            
CONECT   16    1    1                                                 
CONECT   17   12   12                                                 
CONECT   18   12   13                                                 
CONECT   19   20   20                                                 
CONECT   20   15   19   19   14                                       
CONECT   21   14   22   22   23                                       
CONECT   22   21   21    5   58                                       
CONECT   23   21    3    3   59                                       
CONECT   24    7    9   85                                            
CONECT   25   26    1                                                 
CONECT   26   25   60   61   62                                       
CONECT   27   28   15   63   64                                       
CONECT   28   27   29   65   66                                       
CONECT   29   28   30   67   68                                       
CONECT   30   35   31   29                                            
CONECT   31   32   30   69   70                                       
CONECT   32   33   31   71   72                                       
CONECT   33   36   34   32   73                                       
CONECT   34   33   35   74   75                                       
CONECT   35   34   30   76   77                                       
CONECT   36   37   37   43   33                                       
CONECT   37   38   36   36   78                                       
CONECT   38   39   41   41   37                                       
CONECT   39   40   38                                                 
CONECT   40   39   79   80   81                                       
CONECT   41   38   38   42   82                                       
CONECT   42   41   43   43   83                                       
CONECT   43   42   42   36   84                                       
CONECT   44    2                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   37                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   42                                                      
CONECT   84   43                                                      
CONECT   85   24                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
