COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CO   UNL     1      -0.822   5.538  -0.585  1.00  0.00          Co  
HETATM    2  C   UNL     1      -1.642   9.384   1.451  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.969   8.789   1.435  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.811   7.531   0.773  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.523   7.258   0.377  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.832   8.400   0.765  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.888   6.598   0.522  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.872   5.277  -0.081  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.022   4.430  -0.195  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.536   3.256  -0.895  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.137   3.489  -1.054  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.717   4.724  -0.593  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.202   2.538  -1.636  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.766   2.637  -1.741  1.00  0.00           C  
HETATM   15  C   UNL     1       0.082   1.607  -2.237  1.00  0.00           C  
HETATM   16  C   UNL     1       1.408   2.151  -2.120  1.00  0.00           C  
HETATM   17  C   UNL     1       1.218   3.450  -1.621  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.091   3.774  -1.358  1.00  0.00           N  
HETATM   19  C   UNL     1       2.290   4.371  -1.402  1.00  0.00           C  
HETATM   20  C   UNL     1       2.248   5.753  -0.972  1.00  0.00           C  
HETATM   21  C   UNL     1       3.381   6.616  -0.945  1.00  0.00           C  
HETATM   22  C   UNL     1       2.909   7.800  -0.257  1.00  0.00           C  
HETATM   23  C   UNL     1       1.506   7.576  -0.090  1.00  0.00           C  
HETATM   24  N   UNL     1       1.079   6.342  -0.549  1.00  0.00           N  
HETATM   25  C   UNL     1       0.584   8.532   0.491  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.339   2.004  -1.252  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.223   9.369   2.095  1.00  0.00           C  
HETATM   28  C   UNL     1       3.716   9.062   0.046  1.00  0.00           C  
HETATM   29  C   UNL     1       2.741   1.564  -2.533  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.384   4.602   0.517  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.410   4.177   2.020  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.279  10.649   2.269  1.00  0.00           C  
HETATM   33  C   UNL     1       0.039  10.743   3.082  1.00  0.00           C  
HETATM   34  C   UNL     1       4.708   6.416  -1.714  1.00  0.00           C  
HETATM   35  C   UNL     1       4.595   6.599  -3.262  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.323   0.320  -2.933  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.259   0.602  -4.449  1.00  0.00           C  
HETATM   38  C   UNL     1       0.407   9.616   4.041  1.00  0.00           C  
HETATM   39  O   UNL     1       0.738   9.897   5.206  1.00  0.00           O  
HETATM   40  O   UNL     1       0.495   8.449   3.576  1.00  0.00           O  
HETATM   41  C   UNL     1      -5.375   4.830   2.944  1.00  0.00           C  
HETATM   42  O   UNL     1      -5.653   5.884   3.538  1.00  0.00           O  
HETATM   43  O   UNL     1      -4.216   4.351   2.923  1.00  0.00           O  
HETATM   44  C   UNL     1      -0.946   1.899  -4.848  1.00  0.00           C  
HETATM   45  O   UNL     1      -1.436   2.009  -5.985  1.00  0.00           O  
HETATM   46  O   UNL     1      -1.068   2.812  -3.977  1.00  0.00           O  
HETATM   47  C   UNL     1       3.603   5.689  -3.998  1.00  0.00           C  
HETATM   48  O   UNL     1       2.400   6.047  -4.007  1.00  0.00           O  
HETATM   49  O   UNL     1       3.969   4.570  -4.393  1.00  0.00           O  
HETATM   50  H   UNL     1      -4.848   6.897   0.924  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.625   1.598  -1.973  1.00  0.00           H  
HETATM   52  H   UNL     1       3.271   4.006  -1.692  1.00  0.00           H  
HETATM   53  H   UNL     1       1.030   9.461   0.814  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.372   2.265  -1.552  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.413   1.305  -0.399  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.899   1.458  -2.106  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.271  10.470   2.006  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.236   9.134   3.178  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.167   8.972   1.682  1.00  0.00           H  
HETATM   60  H   UNL     1       3.385   9.558   0.978  1.00  0.00           H  
HETATM   61  H   UNL     1       4.791   8.839   0.178  1.00  0.00           H  
HETATM   62  H   UNL     1       3.640   9.800  -0.774  1.00  0.00           H  
HETATM   63  H   UNL     1       3.304   1.153  -1.676  1.00  0.00           H  
HETATM   64  H   UNL     1       3.379   2.331  -3.018  1.00  0.00           H  
HETATM   65  H   UNL     1       2.619   0.751  -3.272  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.718   5.653   0.442  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.162   4.034  -0.027  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.286   3.084   2.109  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.406   4.385   2.449  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.320  11.522   1.606  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.088  10.835   3.002  1.00  0.00           H  
HETATM   72  H   UNL     1       0.903  10.899   2.420  1.00  0.00           H  
HETATM   73  H   UNL     1       0.006  11.668   3.687  1.00  0.00           H  
HETATM   74  H   UNL     1       5.478   7.110  -1.328  1.00  0.00           H  
HETATM   75  H   UNL     1       5.116   5.409  -1.507  1.00  0.00           H  
HETATM   76  H   UNL     1       4.331   7.643  -3.506  1.00  0.00           H  
HETATM   77  H   UNL     1       5.584   6.440  -3.729  1.00  0.00           H  
HETATM   78  H   UNL     1       0.349  -0.513  -2.660  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.350   0.031  -2.643  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.701  -0.226  -5.032  1.00  0.00           H  
HETATM   81  H   UNL     1       0.787   0.687  -4.789  1.00  0.00           H  
HETATM   82  H   UNL     1       0.724   7.746   4.173  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.574   4.755   3.495  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.865   2.819  -6.234  1.00  0.00           H  
HETATM   85  H   UNL     1       3.354   4.006  -4.848  1.00  0.00           H  
CONECT    1    5   12   18   24                                       
CONECT    2    3    3    6   32                                       
CONECT    3    2    2    4   27                                       
CONECT    4    3    5    7    7                                       
CONECT    5    1    4    6                                            
CONECT    6    2    5   25   25                                       
CONECT    7    4    4    8   50                                       
CONECT    8    7    9    9   12                                       
CONECT    9    8    8   10   30                                       
CONECT   10    9   11   11   26                                       
CONECT   11   10   10   12   13                                       
CONECT   12    1    8   11                                            
CONECT   13   11   14   14   51                                       
CONECT   14   13   13   15   18                                       
CONECT   15   14   16   16   36                                       
CONECT   16   15   15   17   29                                       
CONECT   17   16   18   19   19                                       
CONECT   18    1   14   17                                            
CONECT   19   17   17   20   52                                       
CONECT   20   19   21   21   24                                       
CONECT   21   20   20   22   34                                       
CONECT   22   21   23   23   28                                       
CONECT   23   22   22   24   25                                       
CONECT   24    1   20   23                                            
CONECT   25    6    6   23   53                                       
CONECT   26   10   54   55   56                                       
CONECT   27    3   57   58   59                                       
CONECT   28   22   60   61   62                                       
CONECT   29   16   63   64   65                                       
CONECT   30    9   31   66   67                                       
CONECT   31   30   41   68   69                                       
CONECT   32    2   33   70   71                                       
CONECT   33   32   38   72   73                                       
CONECT   34   21   35   74   75                                       
CONECT   35   34   47   76   77                                       
CONECT   36   15   37   78   79                                       
CONECT   37   36   44   80   81                                       
CONECT   38   33   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   82                                                 
CONECT   41   31   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   41   83                                                 
CONECT   44   37   45   46   46                                       
CONECT   45   44   84                                                 
CONECT   46   44   44                                                 
CONECT   47   35   48   48   49                                       
CONECT   48   47   47                                                 
CONECT   49   47   85                                                 
CONECT   50    7                                                      
CONECT   51   13                                                      
CONECT   52   19                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   40                                                      
CONECT   83   43                                                      
CONECT   84   45                                                      
CONECT   85   49                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
