COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.001   0.526  -0.155  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.520  -0.792   0.392  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.334   0.807  -0.349  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.043   1.486  -0.463  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.340  -1.226  -0.360  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.612  -1.853   0.271  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.424  -0.186  -0.042  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.710   2.048  -0.848  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.419   2.716  -0.961  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.118  -0.771  -0.018  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.903  -1.289   0.876  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.759   2.999  -1.153  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.904  -1.217  -0.792  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.996  -0.003   0.913  1.00  0.00           O  
HETATM   15  N   UNL     1       0.310  -0.605  -0.233  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.741  -2.747  -0.675  1.00  0.00           C  
HETATM   17  C   UNL     1       0.565   0.717  -0.170  1.00  0.00           C  
HETATM   18  C   UNL     1       1.199  -1.676   0.253  1.00  0.00           C  
HETATM   19  C   UNL     1       0.797  -2.927  -0.566  1.00  0.00           C  
HETATM   20  C   UNL     1       1.792   1.214   0.550  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.192   1.507  -0.693  1.00  0.00           O  
HETATM   22  N   UNL     1       2.306   2.408  -0.126  1.00  0.00           N  
HETATM   23  C   UNL     1       1.429   1.563   1.995  1.00  0.00           C  
HETATM   24  C   UNL     1       3.608   2.738  -0.015  1.00  0.00           C  
HETATM   25  C   UNL     1       0.425   2.718   2.004  1.00  0.00           C  
HETATM   26  C   UNL     1       0.807   0.341   2.674  1.00  0.00           C  
HETATM   27  C   UNL     1       2.692   1.980   2.752  1.00  0.00           C  
HETATM   28  C   UNL     1       4.136   3.966  -0.711  1.00  0.00           C  
HETATM   29  O   UNL     1       4.354   2.047   0.645  1.00  0.00           O  
HETATM   30  N   UNL     1       5.572   4.105  -0.436  1.00  0.00           N  
HETATM   31  C   UNL     1       3.916   3.831  -2.219  1.00  0.00           C  
HETATM   32  C   UNL     1       5.894   5.530  -0.584  1.00  0.00           C  
HETATM   33  O   UNL     1       1.124  -4.127   0.137  1.00  0.00           O  
HETATM   34  C   UNL     1       2.429  -4.397  -0.132  1.00  0.00           C  
HETATM   35  C   UNL     1       3.184  -3.501  -0.874  1.00  0.00           C  
HETATM   36  C   UNL     1       4.510  -3.778  -1.147  1.00  0.00           C  
HETATM   37  C   UNL     1       5.084  -4.947  -0.682  1.00  0.00           C  
HETATM   38  C   UNL     1       4.332  -5.841   0.058  1.00  0.00           C  
HETATM   39  C   UNL     1       3.008  -5.566   0.339  1.00  0.00           C  
HETATM   40  H   UNL     1      -4.252  -0.670   1.441  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.997   1.266  -0.312  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.438  -1.840  -1.105  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.774  -2.095  -0.780  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.314  -2.751   0.812  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.778  -0.630  -0.973  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.251   0.328   0.447  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.756   2.269  -0.998  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.669   3.455  -1.201  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.647  -2.082   0.957  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.696  -0.877   1.864  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.059   3.961  -1.541  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.008  -0.934  -1.839  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.125  -3.247  -1.564  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.237  -3.118   0.222  1.00  0.00           H  
HETATM   55  H   UNL     1       2.241  -1.418   0.065  1.00  0.00           H  
HETATM   56  H   UNL     1       1.036  -1.850   1.317  1.00  0.00           H  
HETATM   57  H   UNL     1       1.262  -2.915  -1.552  1.00  0.00           H  
HETATM   58  H   UNL     1       2.556   0.437   0.545  1.00  0.00           H  
HETATM   59  H   UNL     1       1.709   2.961  -0.654  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.475   2.421   1.464  1.00  0.00           H  
HETATM   61  H   UNL     1       0.166   2.966   3.033  1.00  0.00           H  
HETATM   62  H   UNL     1       0.868   3.588   1.520  1.00  0.00           H  
HETATM   63  H   UNL     1       1.536  -0.469   2.702  1.00  0.00           H  
HETATM   64  H   UNL     1       0.514   0.601   3.691  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.071   0.021   2.113  1.00  0.00           H  
HETATM   66  H   UNL     1       3.134   2.851   2.268  1.00  0.00           H  
HETATM   67  H   UNL     1       2.433   2.229   3.781  1.00  0.00           H  
HETATM   68  H   UNL     1       3.407   1.158   2.746  1.00  0.00           H  
HETATM   69  H   UNL     1       3.609   4.846  -0.344  1.00  0.00           H  
HETATM   70  H   UNL     1       6.057   3.619  -1.175  1.00  0.00           H  
HETATM   71  H   UNL     1       4.443   2.951  -2.586  1.00  0.00           H  
HETATM   72  H   UNL     1       2.851   3.728  -2.423  1.00  0.00           H  
HETATM   73  H   UNL     1       4.298   4.719  -2.722  1.00  0.00           H  
HETATM   74  H   UNL     1       5.661   5.852  -1.599  1.00  0.00           H  
HETATM   75  H   UNL     1       5.306   6.112   0.125  1.00  0.00           H  
HETATM   76  H   UNL     1       6.956   5.685  -0.389  1.00  0.00           H  
HETATM   77  H   UNL     1       2.737  -2.588  -1.239  1.00  0.00           H  
HETATM   78  H   UNL     1       5.099  -3.081  -1.725  1.00  0.00           H  
HETATM   79  H   UNL     1       6.120  -5.161  -0.896  1.00  0.00           H  
HETATM   80  H   UNL     1       4.782  -6.754   0.420  1.00  0.00           H  
HETATM   81  H   UNL     1       2.421  -6.266   0.916  1.00  0.00           H  
CONECT    1    2    3    3    4                                       
CONECT    2    1    5    6   40                                       
CONECT    3    1    1    7    8                                       
CONECT    4    1    9    9   41                                       
CONECT    5    2   10   42                                            
CONECT    6    2   11   43   44                                       
CONECT    7    3   11   45   46                                       
CONECT    8    3   12   12   47                                       
CONECT    9    4    4   12   48                                       
CONECT   10    5   13   14   14                                       
CONECT   11    6    7   49   50                                       
CONECT   12    8    8    9   51                                       
CONECT   13   10   15   16   52                                       
CONECT   14   10   10                                                 
CONECT   15   13   17   18                                            
CONECT   16   13   19   53   54                                       
CONECT   17   15   20   21   21                                       
CONECT   18   15   19   55   56                                       
CONECT   19   16   18   33   57                                       
CONECT   20   17   22   23   58                                       
CONECT   21   17   17                                                 
CONECT   22   20   24   59                                            
CONECT   23   20   25   26   27                                       
CONECT   24   22   28   29   29                                       
CONECT   25   23   60   61   62                                       
CONECT   26   23   63   64   65                                       
CONECT   27   23   66   67   68                                       
CONECT   28   24   30   31   69                                       
CONECT   29   24   24                                                 
CONECT   30   28   32   70                                            
CONECT   31   28   71   72   73                                       
CONECT   32   30   74   75   76                                       
CONECT   33   19   34                                                 
CONECT   34   33   35   35   39                                       
CONECT   35   34   34   36   77                                       
CONECT   36   35   37   37   78                                       
CONECT   37   36   36   38   79                                       
CONECT   38   37   39   39   80                                       
CONECT   39   34   38   38   81                                       
CONECT   40    2                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   22                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
