COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.408  -0.626  -0.173  1.00  0.00           C  
HETATM    2  O   UNL     1       1.119  -0.907   0.973  1.00  0.00           O  
HETATM    3  O   UNL     1       2.700  -0.561  -0.545  1.00  0.00           O  
HETATM    4  C   UNL     1       3.695  -0.839   0.476  1.00  0.00           C  
HETATM    5  C   UNL     1       5.074  -0.720  -0.121  1.00  0.00           C  
HETATM    6  C   UNL     1       5.732   0.495  -0.102  1.00  0.00           C  
HETATM    7  C   UNL     1       6.997   0.604  -0.650  1.00  0.00           C  
HETATM    8  C   UNL     1       7.603  -0.502  -1.214  1.00  0.00           C  
HETATM    9  C   UNL     1       6.946  -1.718  -1.232  1.00  0.00           C  
HETATM   10  C   UNL     1       5.683  -1.828  -0.681  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.820  -2.649  -1.094  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.141  -2.719  -0.692  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.537  -2.113   0.485  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.613  -1.437   1.260  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.292  -1.371   0.859  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.896  -1.973  -0.320  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.457  -1.896  -0.759  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.971  -0.449  -0.667  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.801   0.418  -1.579  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.386   0.712  -2.675  1.00  0.00           O  
HETATM   21  N   UNL     1       0.435  -0.378  -1.072  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.612  -2.767   0.135  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.689  -2.628   1.508  1.00  0.00           C  
HETATM   24  C   UNL     1       0.083  -3.430   2.328  1.00  0.00           C  
HETATM   25  C   UNL     1       0.938  -4.365   1.775  1.00  0.00           C  
HETATM   26  C   UNL     1       1.018  -4.501   0.401  1.00  0.00           C  
HETATM   27  C   UNL     1       0.243  -3.702  -0.419  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.517   3.731   0.973  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.196   2.752   0.325  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.226   1.923  -0.309  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.577   2.059  -0.157  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.188   1.066  -0.935  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.214   0.352  -1.541  1.00  0.00           C  
HETATM   34  N   UNL     1      -3.005   0.866  -1.173  1.00  0.00           N  
HETATM   35  N   UNL     1      -0.894   2.431   0.190  1.00  0.00           N  
HETATM   36  C   UNL     1       0.127   3.188   0.918  1.00  0.00           C  
HETATM   37  C   UNL     1       1.131   2.219   1.544  1.00  0.00           C  
HETATM   38  C   UNL     1       2.202   3.010   2.298  1.00  0.00           C  
HETATM   39  C   UNL     1       0.404   1.289   2.518  1.00  0.00           C  
HETATM   40  B   UNL     1       0.875   4.147  -0.076  1.00  0.00           B  
HETATM   41  O   UNL     1       0.943   5.539   0.197  1.00  0.00           O  
HETATM   42  O   UNL     1       1.483   3.622  -1.247  1.00  0.00           O  
HETATM   43  H   UNL     1       3.589  -0.124   1.291  1.00  0.00           H  
HETATM   44  H   UNL     1       3.550  -1.850   0.858  1.00  0.00           H  
HETATM   45  H   UNL     1       5.258   1.359   0.339  1.00  0.00           H  
HETATM   46  H   UNL     1       7.511   1.554  -0.636  1.00  0.00           H  
HETATM   47  H   UNL     1       8.591  -0.416  -1.642  1.00  0.00           H  
HETATM   48  H   UNL     1       7.419  -2.582  -1.673  1.00  0.00           H  
HETATM   49  H   UNL     1       5.170  -2.779  -0.691  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.510  -3.123  -2.014  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.863  -3.247  -1.297  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.569  -2.167   0.800  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.923  -0.962   2.180  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.569  -0.846   1.467  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.372  -2.243  -1.789  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.072  -0.096   0.359  1.00  0.00           H  
HETATM   57  H   UNL     1       0.665  -0.153  -1.987  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.354  -1.895   1.940  1.00  0.00           H  
HETATM   59  H   UNL     1       0.020  -3.323   3.401  1.00  0.00           H  
HETATM   60  H   UNL     1       1.542  -4.989   2.416  1.00  0.00           H  
HETATM   61  H   UNL     1       1.686  -5.231  -0.031  1.00  0.00           H  
HETATM   62  H   UNL     1       0.306  -3.808  -1.492  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.081   2.795   0.452  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.251   0.902  -1.034  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.366  -0.484  -2.207  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.633   1.698  -0.390  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.348   3.777   1.702  1.00  0.00           H  
HETATM   68  H   UNL     1       1.602   1.626   0.760  1.00  0.00           H  
HETATM   69  H   UNL     1       2.917   2.319   2.745  1.00  0.00           H  
HETATM   70  H   UNL     1       2.720   3.672   1.605  1.00  0.00           H  
HETATM   71  H   UNL     1       1.730   3.602   3.083  1.00  0.00           H  
HETATM   72  H   UNL     1       0.008   1.872   3.350  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.417   0.792   2.000  1.00  0.00           H  
HETATM   74  H   UNL     1       1.101   0.542   2.897  1.00  0.00           H  
HETATM   75  H   UNL     1       0.436   5.813   0.973  1.00  0.00           H  
HETATM   76  H   UNL     1       1.384   2.665  -1.346  1.00  0.00           H  
CONECT    1   21    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   43   44                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   45                                       
CONECT    7    6    8    8   46                                       
CONECT    8    7    7    9   47                                       
CONECT    9    8   10   10   48                                       
CONECT   10    5    9    9   49                                       
CONECT   11   16   16   12   50                                       
CONECT   12   11   13   13   51                                       
CONECT   13   12   12   14   52                                       
CONECT   14   13   15   15   53                                       
CONECT   15   16   14   14   54                                       
CONECT   16   17   11   11   15                                       
CONECT   17   18   22   16   55                                       
CONECT   18   19   17   21   56                                       
CONECT   19   34   20   20   18                                       
CONECT   20   19   19                                                 
CONECT   21   18    1   57                                            
CONECT   22   17   27   27   23                                       
CONECT   23   22   24   24   58                                       
CONECT   24   25   23   23   59                                       
CONECT   25   26   26   24   60                                       
CONECT   26   27   25   25   61                                       
CONECT   27   22   22   26   62                                       
CONECT   28   29   29                                                 
CONECT   29   35   28   28   30                                       
CONECT   30   29   31   31   34                                       
CONECT   31   30   30   32   63                                       
CONECT   32   31   33   33   64                                       
CONECT   33   32   32   34   65                                       
CONECT   34   30   33   19                                            
CONECT   35   36   29   66                                            
CONECT   36   37   40   35   67                                       
CONECT   37   38   39   36   68                                       
CONECT   38   37   69   70   71                                       
CONECT   39   37   72   73   74                                       
CONECT   40   36   42   41                                            
CONECT   41   40   75                                                 
CONECT   42   40   76                                                 
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   21                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
CONECT   70   38                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   41                                                      
CONECT   76   42                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
