COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.880   1.207   0.749  1.00  0.00           O  
HETATM    2  C   UNL     1       4.639   0.419  -0.144  1.00  0.00           C  
HETATM    3  O   UNL     1       5.642  -0.264  -0.728  1.00  0.00           O  
HETATM    4  C   UNL     1       6.985  -0.008  -0.240  1.00  0.00           C  
HETATM    5  C   UNL     1       7.983  -0.869  -1.018  1.00  0.00           C  
HETATM    6  C   UNL     1       7.326   1.470  -0.436  1.00  0.00           C  
HETATM    7  C   UNL     1       7.062  -0.357   1.247  1.00  0.00           C  
HETATM    8  N   UNL     1       3.368   0.225  -0.546  1.00  0.00           N  
HETATM    9  C   UNL     1       2.276   0.964   0.093  1.00  0.00           C  
HETATM   10  C   UNL     1       2.124   2.331  -0.577  1.00  0.00           C  
HETATM   11  C   UNL     1       1.658   2.142  -2.022  1.00  0.00           C  
HETATM   12  C   UNL     1       1.091   3.161   0.188  1.00  0.00           C  
HETATM   13  C   UNL     1       3.471   3.056  -0.566  1.00  0.00           C  
HETATM   14  C   UNL     1       0.992   0.188  -0.051  1.00  0.00           C  
HETATM   15  O   UNL     1       0.930  -0.744  -0.825  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.088   0.530   0.679  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.358  -0.174   0.483  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.497   0.720   0.902  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.270   1.834   1.323  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.371  -1.448   1.330  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.309  -2.394   0.830  1.00  0.00           C  
HETATM   22  C   UNL     1       0.969  -2.336   1.353  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.616  -3.323  -0.147  1.00  0.00           C  
HETATM   24  C   UNL     1       1.943  -3.204   0.894  1.00  0.00           C  
HETATM   25  C   UNL     1       0.358  -4.191  -0.604  1.00  0.00           C  
HETATM   26  C   UNL     1       1.638  -4.130  -0.086  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.093   1.021   2.701  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.952  -0.864  -2.205  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.911   0.058  -1.589  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.256   0.593  -1.791  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.970   0.978  -1.023  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.875   1.148   1.216  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.148   0.732   0.476  1.00  0.00           C  
HETATM   34  N   UNL     1      -3.767   0.280   0.808  1.00  0.00           N  
HETATM   35  N   UNL     1      -5.489  -0.961  -2.250  1.00  0.00           N  
HETATM   36  N   UNL     1      -4.353   0.238   3.392  1.00  0.00           N  
HETATM   37  O   UNL     1      -3.715   0.217  -1.466  1.00  0.00           O  
HETATM   38  H   UNL     1       7.739  -1.923  -0.879  1.00  0.00           H  
HETATM   39  H   UNL     1       7.928  -0.621  -2.078  1.00  0.00           H  
HETATM   40  H   UNL     1       8.991  -0.678  -0.652  1.00  0.00           H  
HETATM   41  H   UNL     1       7.272   1.719  -1.496  1.00  0.00           H  
HETATM   42  H   UNL     1       6.616   2.083   0.118  1.00  0.00           H  
HETATM   43  H   UNL     1       8.335   1.662  -0.070  1.00  0.00           H  
HETATM   44  H   UNL     1       6.819  -1.411   1.387  1.00  0.00           H  
HETATM   45  H   UNL     1       8.071  -0.165   1.614  1.00  0.00           H  
HETATM   46  H   UNL     1       6.352   0.256   1.801  1.00  0.00           H  
HETATM   47  H   UNL     1       3.175  -0.404  -1.259  1.00  0.00           H  
HETATM   48  H   UNL     1       2.501   1.100   1.151  1.00  0.00           H  
HETATM   49  H   UNL     1       0.699   1.625  -2.030  1.00  0.00           H  
HETATM   50  H   UNL     1       1.550   3.116  -2.499  1.00  0.00           H  
HETATM   51  H   UNL     1       2.394   1.550  -2.566  1.00  0.00           H  
HETATM   52  H   UNL     1       0.881   4.078  -0.364  1.00  0.00           H  
HETATM   53  H   UNL     1       0.172   2.586   0.299  1.00  0.00           H  
HETATM   54  H   UNL     1       1.484   3.412   1.173  1.00  0.00           H  
HETATM   55  H   UNL     1       4.207   2.465  -1.110  1.00  0.00           H  
HETATM   56  H   UNL     1       3.363   4.030  -1.043  1.00  0.00           H  
HETATM   57  H   UNL     1       3.803   3.191   0.464  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.024   1.242   1.335  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.469  -0.435  -0.569  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.171  -1.194   2.371  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.348  -1.925   1.253  1.00  0.00           H  
HETATM   62  H   UNL     1       1.207  -1.613   2.119  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.616  -3.371  -0.552  1.00  0.00           H  
HETATM   64  H   UNL     1       2.942  -3.159   1.302  1.00  0.00           H  
HETATM   65  H   UNL     1       0.118  -4.917  -1.367  1.00  0.00           H  
HETATM   66  H   UNL     1       2.398  -4.807  -0.444  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.873   1.591   3.183  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.354  -1.557  -1.466  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.376  -1.073  -3.187  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.392   1.227  -2.667  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.129   0.640  -1.139  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.711   2.020  -1.212  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.634   2.182   0.971  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.990   1.318   0.844  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.339  -0.327   0.650  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.948  -0.612   0.472  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.001  -1.668  -2.699  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.493   0.156   4.348  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    8                                       
CONECT    3    2    4                                                 
CONECT    4    3    7    5    6                                       
CONECT    5    4   39   38   40                                       
CONECT    6    4   42   43   41                                       
CONECT    7    4   44   46   45                                       
CONECT    8    2    9   47                                            
CONECT    9    8   10   14   48                                       
CONECT   10    9   11   13   12                                       
CONECT   11   10   49   51   50                                       
CONECT   12   10   54   52   53                                       
CONECT   13   10   55   57   56                                       
CONECT   14    9   16   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   58                                            
CONECT   17   16   20   18   59                                       
CONECT   18   17   34   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   17   21   60   61                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21   24   62                                       
CONECT   23   25   25   21   63                                       
CONECT   24   22   26   26   64                                       
CONECT   25   26   23   23   65                                       
CONECT   26   24   24   25   66                                       
CONECT   27   32   36   36   67                                       
CONECT   28   35   30   68   69                                       
CONECT   29   31   35   37   37                                       
CONECT   30   28   31   70   71                                       
CONECT   31   33   29   30   72                                       
CONECT   32   34   33   27   73                                       
CONECT   33   32   31   74   75                                       
CONECT   34   18   32   76                                            
CONECT   35   29   28   77                                            
CONECT   36   27   27   78                                            
CONECT   37   29   29                                                 
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
