COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.226   0.471   3.284  1.00  0.00           N  
HETATM    2  C   UNL     1       0.331  -0.964   3.014  1.00  0.00           C  
HETATM    3  C   UNL     1       0.941  -1.198   1.656  1.00  0.00           C  
HETATM    4  O   UNL     1       1.662  -2.156   1.471  1.00  0.00           O  
HETATM    5  N   UNL     1       0.686  -0.342   0.646  1.00  0.00           N  
HETATM    6  C   UNL     1       1.390  -0.485  -0.630  1.00  0.00           C  
HETATM    7  C   UNL     1       2.777   0.149  -0.523  1.00  0.00           C  
HETATM    8  C   UNL     1       4.898   0.628  -1.753  1.00  0.00           C  
HETATM    9  C   UNL     1       3.793  -1.600  -1.989  1.00  0.00           C  
HETATM   10  C   UNL     1       3.553  -0.098  -1.818  1.00  0.00           C  
HETATM   11  C   UNL     1       0.604   0.203  -1.716  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.323   0.927  -1.426  1.00  0.00           O  
HETATM   13  N   UNL     1       0.934   0.014  -3.009  1.00  0.00           N  
HETATM   14  C   UNL     1       0.093   0.576  -4.069  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.981  -0.439  -4.460  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.846  -0.762  -3.240  1.00  0.00           C  
HETATM   17  F   UNL     1      -2.829  -1.691  -3.598  1.00  0.00           F  
HETATM   18  F   UNL     1      -1.043  -1.299  -2.228  1.00  0.00           F  
HETATM   19  C   UNL     1       0.958   0.899  -5.289  1.00  0.00           C  
HETATM   20  C   UNL     1       0.093   1.478  -6.379  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.595   2.609  -6.161  1.00  0.00           O  
HETATM   22  O   UNL     1       0.018   0.923  -7.450  1.00  0.00           O  
HETATM   23  O   UNL     1       1.582  -0.296  -5.760  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.046  -1.625   3.096  1.00  0.00           C  
HETATM   25  C   UNL     1       1.253  -1.515   4.114  1.00  0.00           C  
HETATM   26  C   UNL     1       0.980   0.804   4.410  1.00  0.00           C  
HETATM   27  C   UNL     1       1.610  -0.306   4.950  1.00  0.00           C  
HETATM   28  C   UNL     1       1.162   2.048   5.017  1.00  0.00           C  
HETATM   29  C   UNL     1       2.405  -0.183   6.073  1.00  0.00           C  
HETATM   30  C   UNL     1       2.580   1.051   6.669  1.00  0.00           C  
HETATM   31  C   UNL     1       1.957   2.165   6.138  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.943  -1.048   2.031  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.017  -1.604   0.779  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.842  -1.047  -0.146  1.00  0.00           C  
HETATM   35  S   UNL     1      -3.551   0.285   0.706  1.00  0.00           S  
HETATM   36  C   UNL     1      -2.735   0.063   2.276  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.862   0.854   3.502  1.00  0.00           C  
HETATM   38  O   UNL     1      -2.220   0.551   4.490  1.00  0.00           O  
HETATM   39  O   UNL     1      -3.691   1.918   3.536  1.00  0.00           O  
HETATM   40  H   UNL     1      -0.291   1.099   2.756  1.00  0.00           H  
HETATM   41  H   UNL     1       0.037   0.368   0.765  1.00  0.00           H  
HETATM   42  H   UNL     1       1.492  -1.543  -0.872  1.00  0.00           H  
HETATM   43  H   UNL     1       3.316  -0.294   0.314  1.00  0.00           H  
HETATM   44  H   UNL     1       2.674   1.222  -0.361  1.00  0.00           H  
HETATM   45  H   UNL     1       5.451   0.451  -2.676  1.00  0.00           H  
HETATM   46  H   UNL     1       4.727   1.698  -1.631  1.00  0.00           H  
HETATM   47  H   UNL     1       5.474   0.253  -0.907  1.00  0.00           H  
HETATM   48  H   UNL     1       4.411  -1.965  -1.168  1.00  0.00           H  
HETATM   49  H   UNL     1       2.837  -2.123  -1.984  1.00  0.00           H  
HETATM   50  H   UNL     1       4.302  -1.781  -2.935  1.00  0.00           H  
HETATM   51  H   UNL     1       2.978   0.276  -2.664  1.00  0.00           H  
HETATM   52  H   UNL     1       1.728  -0.493  -3.238  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.383   1.489  -3.709  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.607  -0.021  -5.249  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.505  -1.351  -4.820  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.322   0.149  -2.881  1.00  0.00           H  
HETATM   57  H   UNL     1       1.723   1.623  -5.010  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.150   2.980  -6.860  1.00  0.00           H  
HETATM   59  H   UNL     1       0.871  -0.908  -5.996  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.944  -2.699   2.943  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.480  -1.437   4.078  1.00  0.00           H  
HETATM   62  H   UNL     1       0.725  -2.253   4.719  1.00  0.00           H  
HETATM   63  H   UNL     1       2.150  -1.952   3.676  1.00  0.00           H  
HETATM   64  H   UNL     1       0.678   2.922   4.608  1.00  0.00           H  
HETATM   65  H   UNL     1       2.891  -1.055   6.487  1.00  0.00           H  
HETATM   66  H   UNL     1       3.202   1.145   7.547  1.00  0.00           H  
HETATM   67  H   UNL     1       2.093   3.131   6.602  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.427  -2.474   0.532  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.014  -1.359  -1.165  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.775   2.440   4.345  1.00  0.00           H  
CONECT    1    2   26   40                                            
CONECT    2    1    3   24   25                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   41                                            
CONECT    6    5    7   11   42                                       
CONECT    7    6   10   43   44                                       
CONECT    8   10   45   46   47                                       
CONECT    9   10   48   49   50                                       
CONECT   10    7    8    9   51                                       
CONECT   11    6   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   52                                            
CONECT   14   13   15   19   53                                       
CONECT   15   14   16   54   55                                       
CONECT   16   15   17   18   56                                       
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   14   20   23   57                                       
CONECT   20   19   21   22   22                                       
CONECT   21   20   58                                                 
CONECT   22   20   20                                                 
CONECT   23   19   59                                                 
CONECT   24    2   32   60   61                                       
CONECT   25    2   27   62   63                                       
CONECT   26    1   27   27   28                                       
CONECT   27   25   26   26   29                                       
CONECT   28   26   31   31   64                                       
CONECT   29   27   30   30   65                                       
CONECT   30   29   29   31   66                                       
CONECT   31   28   28   30   67                                       
CONECT   32   24   33   36   36                                       
CONECT   33   32   34   34   68                                       
CONECT   34   33   33   35   69                                       
CONECT   35   34   36                                                 
CONECT   36   32   32   35   37                                       
CONECT   37   36   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   70                                                 
CONECT   40    1                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   39                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
