COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.364  -2.150  -2.606  1.00  0.00           C  
HETATM    2  C   UNL     1       7.463  -1.624  -1.518  1.00  0.00           C  
HETATM    3  O   UNL     1       7.818  -1.674  -0.360  1.00  0.00           O  
HETATM    4  N   UNL     1       6.263  -1.097  -1.834  1.00  0.00           N  
HETATM    5  C   UNL     1       5.387  -0.586  -0.777  1.00  0.00           C  
HETATM    6  C   UNL     1       3.932  -0.625  -1.254  1.00  0.00           C  
HETATM    7  O   UNL     1       3.543  -1.980  -1.492  1.00  0.00           O  
HETATM    8  C   UNL     1       5.769   0.859  -0.450  1.00  0.00           C  
HETATM    9  O   UNL     1       7.108   0.897   0.050  1.00  0.00           O  
HETATM   10  C   UNL     1       7.606   2.216   0.281  1.00  0.00           C  
HETATM   11  C   UNL     1       9.038   2.135   0.812  1.00  0.00           C  
HETATM   12  C   UNL     1       9.571   3.548   1.059  1.00  0.00           C  
HETATM   13  O   UNL     1       4.877   1.375   0.540  1.00  0.00           O  
HETATM   14  C   UNL     1       3.508   1.407   0.132  1.00  0.00           C  
HETATM   15  C   UNL     1       2.654   2.000   1.254  1.00  0.00           C  
HETATM   16  O   UNL     1       3.020   3.366   1.460  1.00  0.00           O  
HETATM   17  C   UNL     1       3.034  -0.017  -0.172  1.00  0.00           C  
HETATM   18  O   UNL     1       1.683   0.018  -0.637  1.00  0.00           O  
HETATM   19  C   UNL     1       0.716  -0.300   0.366  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.689  -0.017  -0.173  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.817   1.376  -0.463  1.00  0.00           O  
HETATM   22  O   UNL     1       0.823  -1.683   0.709  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.087  -2.104   1.728  1.00  0.00           C  
HETATM   24  C   UNL     1       0.137  -3.586   2.032  1.00  0.00           C  
HETATM   25  O   UNL     1       1.439  -3.766   2.592  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.524  -1.893   1.244  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.763  -2.702   0.090  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.723  -0.417   0.885  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.039  -0.225   0.363  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.578   1.075   0.610  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.962   1.166   0.020  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.623   0.191  -0.647  1.00  0.00           C  
HETATM   33  N   UNL     1      -5.780   2.224   0.056  1.00  0.00           N  
HETATM   34  N   UNL     1      -6.873   1.926  -0.552  1.00  0.00           N  
HETATM   35  N   UNL     1      -6.823   0.716  -0.989  1.00  0.00           N  
HETATM   36  C   UNL     1      -7.882   0.026  -1.730  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.163   0.075  -0.938  1.00  0.00           C  
HETATM   38  C   UNL     1     -10.044   1.126  -1.113  1.00  0.00           C  
HETATM   39  C   UNL     1     -11.219   1.171  -0.386  1.00  0.00           C  
HETATM   40  C   UNL     1     -11.513   0.166   0.516  1.00  0.00           C  
HETATM   41  C   UNL     1     -10.632  -0.885   0.691  1.00  0.00           C  
HETATM   42  C   UNL     1      -9.460  -0.933  -0.040  1.00  0.00           C  
HETATM   43  H   UNL     1       9.283  -2.533  -2.162  1.00  0.00           H  
HETATM   44  H   UNL     1       7.857  -2.952  -3.141  1.00  0.00           H  
HETATM   45  H   UNL     1       8.604  -1.344  -3.300  1.00  0.00           H  
HETATM   46  H   UNL     1       5.979  -1.057  -2.760  1.00  0.00           H  
HETATM   47  H   UNL     1       5.495  -1.202   0.116  1.00  0.00           H  
HETATM   48  H   UNL     1       3.835  -0.050  -2.175  1.00  0.00           H  
HETATM   49  H   UNL     1       4.075  -2.430  -2.162  1.00  0.00           H  
HETATM   50  H   UNL     1       5.701   1.467  -1.352  1.00  0.00           H  
HETATM   51  H   UNL     1       7.595   2.777  -0.653  1.00  0.00           H  
HETATM   52  H   UNL     1       6.975   2.719   1.014  1.00  0.00           H  
HETATM   53  H   UNL     1       9.049   1.574   1.746  1.00  0.00           H  
HETATM   54  H   UNL     1       9.669   1.632   0.079  1.00  0.00           H  
HETATM   55  H   UNL     1      10.592   3.490   1.437  1.00  0.00           H  
HETATM   56  H   UNL     1       9.561   4.109   0.125  1.00  0.00           H  
HETATM   57  H   UNL     1       8.940   4.051   1.792  1.00  0.00           H  
HETATM   58  H   UNL     1       3.410   2.021  -0.763  1.00  0.00           H  
HETATM   59  H   UNL     1       1.601   1.944   0.978  1.00  0.00           H  
HETATM   60  H   UNL     1       2.819   1.437   2.172  1.00  0.00           H  
HETATM   61  H   UNL     1       2.518   3.807   2.159  1.00  0.00           H  
HETATM   62  H   UNL     1       3.094  -0.621   0.733  1.00  0.00           H  
HETATM   63  H   UNL     1       0.896   0.309   1.251  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.854  -0.595  -1.082  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.192   1.699  -1.126  1.00  0.00           H  
HETATM   66  H   UNL     1       0.082  -1.518   2.631  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.615  -3.929   2.743  1.00  0.00           H  
HETATM   68  H   UNL     1       0.055  -4.163   1.110  1.00  0.00           H  
HETATM   69  H   UNL     1       1.651  -4.684   2.809  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.220  -2.172   2.036  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.655  -3.650   0.245  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.589   0.196   1.776  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.629   1.249   1.685  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.937   1.828   0.150  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.266  -0.805  -0.862  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.031   0.516  -2.692  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.594  -1.012  -1.892  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.814   1.912  -1.817  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.907   1.993  -0.522  1.00  0.00           H  
HETATM   80  H   UNL     1     -12.428   0.204   1.087  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.861  -1.671   1.395  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.771  -1.754   0.096  1.00  0.00           H  
CONECT    1    2   43   44   45                                       
CONECT    2    1    4    3    3                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   46                                            
CONECT    5    4    6    8   47                                       
CONECT    6    7    5   17   48                                       
CONECT    7    6   49                                                 
CONECT    8    5    9   13   50                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   51   52                                       
CONECT   11   10   12   53   54                                       
CONECT   12   11   55   56   57                                       
CONECT   13    8   14                                                 
CONECT   14   17   13   15   58                                       
CONECT   15   14   16   59   60                                       
CONECT   16   15   61                                                 
CONECT   17    6   18   14   62                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   22   63                                       
CONECT   20   21   28   19   64                                       
CONECT   21   20   65                                                 
CONECT   22   19   23                                                 
CONECT   23   26   22   24   66                                       
CONECT   24   23   25   67   68                                       
CONECT   25   24   69                                                 
CONECT   26   27   28   23   70                                       
CONECT   27   26   71                                                 
CONECT   28   20   29   26   72                                       
CONECT   29   30   28                                                 
CONECT   30   31   29   73   74                                       
CONECT   31   32   32   33   30                                       
CONECT   32   35   31   31   75                                       
CONECT   33   34   34   31                                            
CONECT   34   35   33   33                                            
CONECT   35   36   34   32                                            
CONECT   36   37   35   76   77                                       
CONECT   37   42   42   38   36                                       
CONECT   38   39   39   37   78                                       
CONECT   39   40   38   38   79                                       
CONECT   40   41   41   39   80                                       
CONECT   41   40   40   42   81                                       
CONECT   42   41   37   37   82                                       
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   32                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   41                                                      
CONECT   82   42                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
