COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.110   1.281  -0.211  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.317   2.984   0.577  1.00  0.00           C  
HETATM    3  C   UNL     1       4.937   0.177  -0.137  1.00  0.00           C  
HETATM    4  C   UNL     1       6.407   0.190  -0.056  1.00  0.00           C  
HETATM    5  C   UNL     1       3.019  -5.824  -0.087  1.00  0.00           C  
HETATM    6  C   UNL     1       4.104  -0.970  -0.153  1.00  0.00           C  
HETATM    7  C   UNL     1       3.630  -3.300  -0.119  1.00  0.00           C  
HETATM    8  C   UNL     1       4.092  -4.733  -0.056  1.00  0.00           C  
HETATM    9  C   UNL     1       3.769  -5.525   1.212  1.00  0.00           C  
HETATM   10  C   UNL     1       0.451   0.816  -0.771  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.808   1.684  -0.801  1.00  0.00           C  
HETATM   12  N   UNL     1       3.908   4.242  -0.657  1.00  0.00           N  
HETATM   13  N   UNL     1       2.845   0.835  -0.262  1.00  0.00           N  
HETATM   14  C   UNL     1       1.647   1.674  -0.349  1.00  0.00           C  
HETATM   15  N   UNL     1       7.072   1.362  -0.050  1.00  0.00           N  
HETATM   16  C   UNL     1       3.021   3.606  -0.972  1.00  0.00           C  
HETATM   17  C   UNL     1       1.871   2.782  -1.380  1.00  0.00           C  
HETATM   18  O   UNL     1       7.022  -0.858   0.005  1.00  0.00           O  
HETATM   19  N   UNL     1       4.532  -2.299  -0.095  1.00  0.00           N  
HETATM   20  O   UNL     1       2.446  -3.047  -0.190  1.00  0.00           O  
HETATM   21  N   UNL     1       2.862  -0.563  -0.231  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.041   2.257   0.531  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.455   2.013   0.394  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.026   1.406   1.498  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.068   0.516   1.338  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.546   0.229   0.059  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.658  -0.728  -0.120  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.411  -1.850  -0.751  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.444  -2.909  -1.009  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.651  -2.701  -0.092  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.090  -1.235  -0.191  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.003  -0.360   0.436  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.966   0.845  -1.050  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.928   1.737  -0.876  1.00  0.00           C  
HETATM   35  C   UNL     1       0.073   3.122   0.939  1.00  0.00           C  
HETATM   36  C   UNL     1       1.359   2.297   1.020  1.00  0.00           C  
HETATM   37  F   UNL     1       1.204   1.283   1.972  1.00  0.00           F  
HETATM   38  H   UNL     1       4.424   2.314  -0.220  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.416   3.483   1.541  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.341   3.726  -0.221  1.00  0.00           H  
HETATM   41  H   UNL     1       1.979  -5.504  -0.152  1.00  0.00           H  
HETATM   42  H   UNL     1       3.259  -6.752  -0.605  1.00  0.00           H  
HETATM   43  H   UNL     1       5.038  -4.944  -0.555  1.00  0.00           H  
HETATM   44  H   UNL     1       3.223  -5.009   2.002  1.00  0.00           H  
HETATM   45  H   UNL     1       4.503  -6.257   1.549  1.00  0.00           H  
HETATM   46  H   UNL     1       0.317   0.003  -0.058  1.00  0.00           H  
HETATM   47  H   UNL     1       0.633   0.403  -1.764  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.678   2.489  -1.524  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.664   1.073  -1.087  1.00  0.00           H  
HETATM   50  H   UNL     1       6.582   2.198  -0.098  1.00  0.00           H  
HETATM   51  H   UNL     1       8.040   1.371   0.004  1.00  0.00           H  
HETATM   52  H   UNL     1       2.071   2.336  -2.354  1.00  0.00           H  
HETATM   53  H   UNL     1       0.980   3.407  -1.441  1.00  0.00           H  
HETATM   54  H   UNL     1       5.479  -2.502  -0.038  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.655   1.628   2.488  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.512   0.042   2.201  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.407  -2.023  -1.107  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.765  -2.855  -2.049  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.010  -3.891  -0.817  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.468  -3.350  -0.410  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.375  -2.932   0.936  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.221  -0.961  -1.238  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.028  -1.096   0.347  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.001  -0.511   1.515  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.208   0.689   0.220  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.331   0.627  -2.043  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.478   2.214  -1.734  1.00  0.00           H  
HETATM   68  H   UNL     1       0.199   3.921   0.207  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.142   3.556   1.916  1.00  0.00           H  
HETATM   70  H   UNL     1       2.189   2.943   1.308  1.00  0.00           H  
CONECT    1   13    3    3   38                                       
CONECT    2   23   22   39   40                                       
CONECT    3    1    1    6    4                                       
CONECT    4    3   15   18   18                                       
CONECT    5    9    8   41   42                                       
CONECT    6   21   21    3   19                                       
CONECT    7   20   20   19    8                                       
CONECT    8    7    9    5   43                                       
CONECT    9    5    8   44   45                                       
CONECT   10   11   14   46   47                                       
CONECT   11   22   10   48   49                                       
CONECT   12   16   16   16                                            
CONECT   13   14   21    1                                            
CONECT   14   36   10   17   13                                       
CONECT   15    4   50   51                                            
CONECT   16   17   12   12   12                                       
CONECT   17   14   16   52   53                                       
CONECT   18    4    4                                                 
CONECT   19    6    7   54                                            
CONECT   20    7    7                                                 
CONECT   21   13    6    6                                            
CONECT   22    2   35   11                                            
CONECT   23   34   34   24    2                                       
CONECT   24   25   25   23   55                                       
CONECT   25   26   24   24   56                                       
CONECT   26   27   33   33   25                                       
CONECT   27   28   28   32   26                                       
CONECT   28   29   27   27   57                                       
CONECT   29   28   30   58   59                                       
CONECT   30   29   31   60   61                                       
CONECT   31   30   32   62   63                                       
CONECT   32   31   27   64   65                                       
CONECT   33   26   26   34   66                                       
CONECT   34   33   23   23   67                                       
CONECT   35   22   36   68   69                                       
CONECT   36   35   37   14   70                                       
CONECT   37   36                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   19                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
