COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.333  -0.621   0.340  1.00  0.00           C  
HETATM    2  O   UNL     1       4.455  -1.777   0.694  1.00  0.00           O  
HETATM    3  O   UNL     1       5.425   0.123   0.083  1.00  0.00           O  
HETATM    4  C   UNL     1       6.716  -0.522   0.248  1.00  0.00           C  
HETATM    5  C   UNL     1       7.813   0.458  -0.083  1.00  0.00           C  
HETATM    6  C   UNL     1       8.345   1.260   0.909  1.00  0.00           C  
HETATM    7  C   UNL     1       9.351   2.158   0.605  1.00  0.00           C  
HETATM    8  C   UNL     1       9.825   2.254  -0.690  1.00  0.00           C  
HETATM    9  C   UNL     1       9.292   1.452  -1.681  1.00  0.00           C  
HETATM   10  C   UNL     1       8.290   0.549  -1.377  1.00  0.00           C  
HETATM   11  N   UNL     1       3.105  -0.084   0.201  1.00  0.00           N  
HETATM   12  C   UNL     1       1.916  -0.895   0.476  1.00  0.00           C  
HETATM   13  C   UNL     1       0.744  -0.347  -0.297  1.00  0.00           C  
HETATM   14  O   UNL     1       0.888   0.625  -1.008  1.00  0.00           O  
HETATM   15  C   UNL     1       1.604  -0.852   1.973  1.00  0.00           C  
HETATM   16  C   UNL     1       2.740  -1.522   2.750  1.00  0.00           C  
HETATM   17  C   UNL     1       2.490  -1.369   4.252  1.00  0.00           C  
HETATM   18  C   UNL     1       2.796  -3.008   2.391  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.464  -0.937  -0.199  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.603  -0.404  -0.950  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.885  -0.785  -0.256  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.851  -1.438   0.766  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.597  -0.985  -2.365  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.355  -0.496  -3.113  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.283  -1.175  -4.482  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.435   1.020  -3.298  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.742  -2.171  -0.543  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.958  -2.532   0.115  1.00  0.00           O  
HETATM   29  O   UNL     1      -4.912  -4.083   0.555  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.664  -3.162  -0.187  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.316  -0.771  -0.096  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.411   0.235  -0.458  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.048   1.591   0.091  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.451   1.951   1.363  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.120   3.193   1.868  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.381   4.080   1.098  1.00  0.00           C  
HETATM   37  O   UNL     1      -5.054   5.302   1.593  1.00  0.00           O  
HETATM   38  C   UNL     1      -4.977   3.716  -0.178  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.307   2.470  -0.677  1.00  0.00           C  
HETATM   40  N   UNL     1      -4.070  -0.401  -0.771  1.00  0.00           N  
HETATM   41  H   UNL     1       6.826  -0.855   1.280  1.00  0.00           H  
HETATM   42  H   UNL     1       6.782  -1.380  -0.420  1.00  0.00           H  
HETATM   43  H   UNL     1       7.975   1.185   1.921  1.00  0.00           H  
HETATM   44  H   UNL     1       9.767   2.785   1.380  1.00  0.00           H  
HETATM   45  H   UNL     1      10.611   2.956  -0.927  1.00  0.00           H  
HETATM   46  H   UNL     1       9.662   1.527  -2.694  1.00  0.00           H  
HETATM   47  H   UNL     1       7.877  -0.080  -2.151  1.00  0.00           H  
HETATM   48  H   UNL     1       3.007   0.839  -0.082  1.00  0.00           H  
HETATM   49  H   UNL     1       2.101  -1.926   0.173  1.00  0.00           H  
HETATM   50  H   UNL     1       1.507   0.185   2.294  1.00  0.00           H  
HETATM   51  H   UNL     1       0.671  -1.381   2.165  1.00  0.00           H  
HETATM   52  H   UNL     1       3.686  -1.049   2.489  1.00  0.00           H  
HETATM   53  H   UNL     1       1.543  -1.842   4.512  1.00  0.00           H  
HETATM   54  H   UNL     1       3.298  -1.847   4.805  1.00  0.00           H  
HETATM   55  H   UNL     1       2.450  -0.310   4.507  1.00  0.00           H  
HETATM   56  H   UNL     1       1.849  -3.481   2.651  1.00  0.00           H  
HETATM   57  H   UNL     1       2.974  -3.117   1.321  1.00  0.00           H  
HETATM   58  H   UNL     1       3.605  -3.485   2.944  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.578  -1.715   0.369  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.527   0.682  -1.003  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.583  -2.074  -2.311  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.492  -0.660  -2.896  1.00  0.00           H  
HETATM   63  H   UNL     1       0.537  -0.745  -2.537  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.175  -0.926  -5.058  1.00  0.00           H  
HETATM   65  H   UNL     1       0.602  -0.826  -5.015  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.226  -2.255  -4.350  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.327   1.269  -3.874  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.486   1.503  -2.323  1.00  0.00           H  
HETATM   69  H   UNL     1       0.450   1.369  -3.831  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.161  -0.766   0.983  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.505   0.295  -1.542  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.359  -0.089  -0.028  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.027   1.261   1.963  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.436   3.475   2.862  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.212   5.321   2.068  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.402   4.404  -0.780  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.989   2.185  -1.669  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.097   0.121  -1.588  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.893  -2.548   1.080  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.898  -2.176  -1.622  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.670  -3.049  -0.594  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   41   42                                       
CONECT    5    4    6   10   10                                       
CONECT    6    5    7    7   43                                       
CONECT    7    6    6   44    8                                       
CONECT    8    7   45    9    9                                       
CONECT    9    8    8   46   10                                       
CONECT   10    5    5    9   47                                       
CONECT   11    1   48   12                                            
CONECT   12   11   49   13   15                                       
CONECT   13   12   14   14   19                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   50   51                                       
CONECT   16   15   52   17   18                                       
CONECT   17   16   53   54   55                                       
CONECT   18   16   56   57   58                                       
CONECT   19   13   59   20                                            
CONECT   20   23   19   60   21                                       
CONECT   21   20   22   22   40                                       
CONECT   22   21   21                                                 
CONECT   23   20   61   62   24                                       
CONECT   24   23   26   63   25                                       
CONECT   25   24   64   65   66                                       
CONECT   26   24   67   68   69                                       
CONECT   27   31   80   28   30                                       
CONECT   28   27   79                                                 
CONECT   29   30   30                                                 
CONECT   30   29   29   27   81                                       
CONECT   31   27   40   70   32                                       
CONECT   32   31   33   71   72                                       
CONECT   33   32   39   34   34                                       
CONECT   34   33   33   35   73                                       
CONECT   35   34   36   36   74                                       
CONECT   36   35   35   38   37                                       
CONECT   37   36   75                                                 
CONECT   38   36   76   39   39                                       
CONECT   39   33   38   38   77                                       
CONECT   40   31   21   78                                            
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   28                                                      
CONECT   80   27                                                      
CONECT   81   30                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
