COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNK A   1       2.051  -3.096   0.306  1.00  0.00           C  
HETATM    2  C   UNK A   1       6.393  -0.885  -0.273  1.00  0.00           C  
HETATM    3  C   UNK A   1       8.149   0.803  -0.215  1.00  0.00           C  
HETATM    4  C   UNK A   1       6.875   1.250  -0.966  1.00  0.00           C  
HETATM    5  C   UNK A   1       6.669   3.563  -1.737  1.00  0.00           C  
HETATM    6  C   UNK A   1       6.294   3.078   0.531  1.00  0.00           C  
HETATM    7  C   UNK A   1       6.094   5.268  -0.177  1.00  0.00           C  
HETATM    8  C   UNK A   0      -5.748  -0.758  -0.867  1.00  0.00           C  
HETATM    9  C   UNK A   0      -4.606  -0.691  -1.849  1.00  0.00           C  
HETATM   10  C   UNK A   0      -3.693  -1.933  -1.703  1.00  0.00           C  
HETATM   11  C   UNK A   0      -2.656  -1.717  -0.599  1.00  0.00           C  
HETATM   12  C   UNK A   0      -1.865  -2.984  -0.398  1.00  0.00           C  
HETATM   13  C   UNK A   1      -0.120  -4.260   0.726  1.00  0.00           C  
HETATM   14  C   UNK A   1      -0.861  -5.172   1.669  1.00  0.00           C  
HETATM   15  C   UNK A   1       1.249  -3.918   1.317  1.00  0.00           C  
HETATM   16  C   UNK A   1       3.399  -2.759   0.889  1.00  0.00           C  
HETATM   17  C   UNK A   1       5.592  -1.707   0.738  1.00  0.00           C  
HETATM   18  C   UNK A   1       7.825  -0.634   0.251  1.00  0.00           C  
HETATM   19  C   UNK A   1       6.417   4.871  -1.490  1.00  0.00           C  
HETATM   20  C   UNK A   0      -3.007  -2.018  -3.090  1.00  0.00           C  
HETATM   21  C   UNK A   0      -4.117  -1.620  -4.085  1.00  0.00           C  
HETATM   22  C   UNK A   0      -5.134  -0.777  -3.296  1.00  0.00           C  
HETATM   23  C   UNK A   0      -6.462   0.471  -0.484  1.00  0.00           C  
HETATM   24  C   UNK A   0      -7.521   0.413   0.427  1.00  0.00           C  
HETATM   25  C   UNK A   0      -8.185   1.569   0.781  1.00  0.00           C  
HETATM   26  C   UNK A   0      -7.806   2.783   0.236  1.00  0.00           C  
HETATM   27  C   UNK A   0      -8.537   4.042   0.629  1.00  0.00           C  
HETATM   28  C   UNK A   0      -7.869   4.657   1.831  1.00  0.00           C  
HETATM   29  C   UNK A   0      -6.758   2.849  -0.666  1.00  0.00           C  
HETATM   30  C   UNK A   0      -6.080   1.703  -1.025  1.00  0.00           C  
HETATM   31  N   UNK A   1      -0.889  -3.029   0.531  1.00  0.00           N  
HETATM   32  N   UNK A   1       4.281  -2.035   0.171  1.00  0.00           N  
HETATM   33  N   UNK A   1       6.605   2.668  -0.712  1.00  0.00           N  
HETATM   34  N   UNK A   1       6.043   4.360   0.789  1.00  0.00           N  
HETATM   35  N   UNK A   1       5.833   6.590   0.102  1.00  0.00           N  
HETATM   36  O   UNK A   0      -6.078  -1.824  -0.393  1.00  0.00           O  
HETATM   37  O   UNK A   1      -1.923  -4.828   2.132  1.00  0.00           O  
HETATM   38  O   UNK A   1      -0.342  -6.365   1.997  1.00  0.00           O  
HETATM   39  O   UNK A   1       5.818   0.431  -0.420  1.00  0.00           O  
HETATM   40  O   UNK A   1       8.740  -1.567  -0.327  1.00  0.00           O  
HETATM   41  O   UNK A   1       6.240   2.262   1.436  1.00  0.00           O  
HETATM   42  O   UNK A   1       3.690  -3.139   2.003  1.00  0.00           O  
HETATM   43  O   UNK A   0      -2.106  -3.963  -1.072  1.00  0.00           O  
HETATM   44  O   UNK A   0      -6.898   4.128   2.320  1.00  0.00           O  
HETATM   45  O   UNK A   0      -8.351   5.792   2.360  1.00  0.00           O  
HETATM   46  H   UNK A   1       2.184  -3.674  -0.608  1.00  0.00           H  
HETATM   47  H   UNK A   1       1.513  -2.175   0.078  1.00  0.00           H  
HETATM   48  H   UNK A   1       6.426  -1.396  -1.236  1.00  0.00           H  
HETATM   49  H   UNK A   1       9.007   0.802  -0.886  1.00  0.00           H  
HETATM   50  H   UNK A   1       8.333   1.450   0.643  1.00  0.00           H  
HETATM   51  H   UNK A   1       6.982   1.070  -2.036  1.00  0.00           H  
HETATM   52  H   UNK A   1       6.915   3.234  -2.736  1.00  0.00           H  
HETATM   53  H   UNK A   0      -4.034   0.225  -1.706  1.00  0.00           H  
HETATM   54  H   UNK A   0      -4.284  -2.827  -1.507  1.00  0.00           H  
HETATM   55  H   UNK A   0      -1.983  -0.910  -0.885  1.00  0.00           H  
HETATM   56  H   UNK A   0      -3.164  -1.455   0.329  1.00  0.00           H  
HETATM   57  H   UNK A   1       0.014  -4.761  -0.233  1.00  0.00           H  
HETATM   58  H   UNK A   1       1.787  -4.838   1.545  1.00  0.00           H  
HETATM   59  H   UNK A   1       1.115  -3.339   2.231  1.00  0.00           H  
HETATM   60  H   UNK A   1       6.130  -2.628   0.966  1.00  0.00           H  
HETATM   61  H   UNK A   1       5.458  -1.129   1.652  1.00  0.00           H  
HETATM   62  H   UNK A   1       7.849  -0.698   1.339  1.00  0.00           H  
HETATM   63  H   UNK A   1       6.463   5.598  -2.288  1.00  0.00           H  
HETATM   64  H   UNK A   0      -2.175  -1.317  -3.147  1.00  0.00           H  
HETATM   65  H   UNK A   0      -2.666  -3.034  -3.285  1.00  0.00           H  
HETATM   66  H   UNK A   0      -3.695  -1.031  -4.899  1.00  0.00           H  
HETATM   67  H   UNK A   0      -4.600  -2.513  -4.482  1.00  0.00           H  
HETATM   68  H   UNK A   0      -6.110  -1.260  -3.310  1.00  0.00           H  
HETATM   69  H   UNK A   0      -5.205   0.222  -3.728  1.00  0.00           H  
HETATM   70  H   UNK A   0      -7.819  -0.534   0.852  1.00  0.00           H  
HETATM   71  H   UNK A   0      -9.003   1.526   1.484  1.00  0.00           H  
HETATM   72  H   UNK A   0      -8.514   4.749  -0.201  1.00  0.00           H  
HETATM   73  H   UNK A   0      -9.571   3.800   0.872  1.00  0.00           H  
HETATM   74  H   UNK A   0      -6.468   3.800  -1.086  1.00  0.00           H  
HETATM   75  H   UNK A   0      -5.260   1.756  -1.725  1.00  0.00           H  
HETATM   76  H   UNK A   1      -0.696  -2.246   1.070  1.00  0.00           H  
HETATM   77  H   UNK A   1       4.048  -1.731  -0.720  1.00  0.00           H  
HETATM   78  H   UNK A   1       5.871   7.251  -0.607  1.00  0.00           H  
HETATM   79  H   UNK A   1       5.611   6.860   1.007  1.00  0.00           H  
HETATM   80  H   UNK A   1      -0.854  -6.915   2.605  1.00  0.00           H  
HETATM   81  H   UNK A   1       9.654  -1.454  -0.032  1.00  0.00           H  
HETATM   82  H   UNK A   0      -7.890   6.149   3.131  1.00  0.00           H  
CONECT    1   15   16   46   47                                       
CONECT    2   17   18   39   48                                       
CONECT    3    4   18   49   50                                       
CONECT    4    3   33   39   51                                       
CONECT    5   19   19   33   52                                       
CONECT    6   33   34   41   41                                       
CONECT    7   19   34   34   35                                       
CONECT    8    9   23   36   36                                       
CONECT    9    8   22   53   10                                       
CONECT   10   11   20   54    9                                       
CONECT   11   10   12   55   56                                       
CONECT   12   11   31   43   43                                       
CONECT   13   14   15   31   57                                       
CONECT   14   13   37   37   38                                       
CONECT   15    1   13   58   59                                       
CONECT   16    1   32   42   42                                       
CONECT   17    2   32   60   61                                       
CONECT   18    2    3   40   62                                       
CONECT   19    5    5    7   63                                       
CONECT   20   10   21   64   65                                       
CONECT   21   20   22   66   67                                       
CONECT   22    9   21   68   69                                       
CONECT   23    8   24   24   30                                       
CONECT   24   23   23   25   70                                       
CONECT   25   24   26   26   71                                       
CONECT   26   25   25   27   29                                       
CONECT   27   26   28   72   73                                       
CONECT   28   27   44   44   45                                       
CONECT   29   26   30   30   74                                       
CONECT   30   23   29   29   75                                       
CONECT   31   12   13   76                                            
CONECT   32   16   17   77                                            
CONECT   33    4    5    6                                            
CONECT   34    6    7    7                                            
CONECT   35    7   78   79                                            
CONECT   36    8    8                                                 
CONECT   37   14   14                                                 
CONECT   38   14   80                                                 
CONECT   39    2    4                                                 
CONECT   40   18   81                                                 
CONECT   41    6    6                                                 
CONECT   42   16   16                                                 
CONECT   43   12   12                                                 
CONECT   44   28   28                                                 
CONECT   45   28   82                                                 
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   38                                                      
CONECT   81   40                                                      
CONECT   82   45                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
