COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.265   0.796   1.321  1.00  0.00           C  
HETATM    2  O   UNL     1       5.058   1.309   2.404  1.00  0.00           O  
HETATM    3  C   UNL     1       6.012   1.536   0.284  1.00  0.00           C  
HETATM    4  C   UNL     1       6.482   2.825   0.544  1.00  0.00           C  
HETATM    5  C   UNL     1       7.179   3.511  -0.427  1.00  0.00           C  
HETATM    6  C   UNL     1       7.413   2.924  -1.661  1.00  0.00           C  
HETATM    7  F   UNL     1       8.097   3.601  -2.609  1.00  0.00           F  
HETATM    8  C   UNL     1       6.949   1.645  -1.925  1.00  0.00           C  
HETATM    9  C   UNL     1       6.256   0.947  -0.959  1.00  0.00           C  
HETATM   10  N   UNL     1       4.817  -0.450   1.069  1.00  0.00           N  
HETATM   11  CA  UNL     1       4.076  -1.184   2.098  1.00  0.00           C  
HETATM   12  C   UNL     1       5.048  -1.875   3.020  1.00  0.00           C  
HETATM   13  O   UNL     1       6.237  -1.766   2.836  1.00  0.00           O  
HETATM   14  CB  UNL     1       3.176  -2.226   1.432  1.00  0.00           C  
HETATM   15  CG  UNL     1       2.110  -1.518   0.594  1.00  0.00           C  
HETATM   16  CD  UNL     1       1.223  -2.544  -0.062  1.00  0.00           C  
HETATM   17  OE1 UNL     1       1.423  -3.726   0.122  1.00  0.00           O  
HETATM   18  OXT UNL     1       4.592  -2.612   4.045  1.00  0.00           O  
HETATM   19  P   UNL     1      -6.194  -0.540   0.521  1.00  0.00           P  
HETATM   20  O   UNL     1      -7.131  -1.308  -0.330  1.00  0.00           O  
HETATM   21  O   UNL     1      -6.722  -0.548   2.042  1.00  0.00           O  
HETATM   22  O   UNL     1      -4.734  -1.215   0.456  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.084  -1.547  -0.773  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.718  -2.169  -0.475  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.022  -2.525  -1.790  1.00  0.00           C  
HETATM   26  CA  UNL     1      -0.656  -3.147  -1.492  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.023  -3.609  -2.780  1.00  0.00           C  
HETATM   28  OXT UNL     1      -0.640  -4.528  -3.539  1.00  0.00           O  
HETATM   29  O   UNL     1       1.039  -3.151  -3.129  1.00  0.00           O  
HETATM   30  N   UNL     1       0.206  -2.149  -0.855  1.00  0.00           N  
HETATM   31  N   UNL     1      -6.104   1.046  -0.034  1.00  0.00           N  
HETATM   32  C   UNL     1      -5.181   1.840   0.788  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.959   2.570   1.853  1.00  0.00           C  
HETATM   34  O   UNL     1      -7.159   2.442   1.919  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.453   2.853  -0.097  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.566   2.111  -1.098  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.848   3.109  -1.970  1.00  0.00           C  
HETATM   38  O   UNL     1      -3.027   4.293  -1.806  1.00  0.00           O  
HETATM   39  O   UNL     1      -2.009   2.683  -2.927  1.00  0.00           O  
HETATM   40  O   UNL     1      -5.319   3.362   2.727  1.00  0.00           O  
HETATM   41  H   UNL     1       6.300   3.284   1.505  1.00  0.00           H  
HETATM   42  H   UNL     1       7.543   4.508  -0.226  1.00  0.00           H  
HETATM   43  H   UNL     1       7.134   1.192  -2.888  1.00  0.00           H  
HETATM   44  H   UNL     1       5.898  -0.051  -1.164  1.00  0.00           H  
HETATM   45  H   UNL     1       4.985  -0.861   0.207  1.00  0.00           H  
HETATM   46  HA  UNL     1       3.464  -0.488   2.671  1.00  0.00           H  
HETATM   47  HB1 UNL     1       3.777  -2.868   0.788  1.00  0.00           H  
HETATM   48  HB2 UNL     1       2.692  -2.831   2.199  1.00  0.00           H  
HETATM   49  HG1 UNL     1       1.508  -0.876   1.237  1.00  0.00           H  
HETATM   50  HG2 UNL     1       2.594  -0.913  -0.173  1.00  0.00           H  
HETATM   51  HXT UNL     1       5.253  -3.037   4.609  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.156  -0.062   2.657  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.695  -2.260  -1.326  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.950  -0.644  -1.368  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.107  -1.456   0.079  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.852  -3.072   0.121  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.633  -3.238  -2.344  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.888  -1.622  -2.386  1.00  0.00           H  
HETATM   59  HA  UNL     1      -0.783  -3.998  -0.824  1.00  0.00           H  
HETATM   60  HXT UNL     1      -0.195  -4.793  -4.356  1.00  0.00           H  
HETATM   61  H   UNL     1       0.046  -1.204  -1.003  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.019   1.471  -0.064  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.454   1.179   1.259  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.183   3.456  -0.636  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.835   3.500   0.526  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.835   1.507  -0.559  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.183   1.463  -1.720  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.572   3.360  -3.461  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.860   3.810   3.392  1.00  0.00           H  
CONECT    1    2    2   10    3                                       
CONECT    2    1    1                                                 
CONECT    3    1    4    4    9                                       
CONECT    4    3    3    5   41                                       
CONECT    5    4    6    6   42                                       
CONECT    6    5    5    8    7                                       
CONECT    7    6                                                      
CONECT    8    9    9    6   43                                       
CONECT    9    3    8    8   44                                       
CONECT   10   11    1   45                                            
CONECT   11   12   14   10   46                                       
CONECT   12   13   13   11   18                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   47   48                                       
CONECT   15   14   16   49   50                                       
CONECT   16   15   30   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   12   51                                                 
CONECT   19   20   20   31   22                                       
CONECT   19   21                                                      
CONECT   20   19   19                                                 
CONECT   21   19   52                                                 
CONECT   22   23   19                                                 
CONECT   23   24   22   53   54                                       
CONECT   24   25   23   55   56                                       
CONECT   25   26   24   57   58                                       
CONECT   26   30   25   27   59                                       
CONECT   27   26   29   29   28                                       
CONECT   28   27   60                                                 
CONECT   29   27   27                                                 
CONECT   30   16   26   61                                            
CONECT   31   32   19   62                                            
CONECT   32   33   35   31   63                                       
CONECT   33   34   34   40   32                                       
CONECT   34   33   33                                                 
CONECT   35   36   32   64   65                                       
CONECT   36   37   35   66   67                                       
CONECT   37   38   38   39   36                                       
CONECT   38   37   37                                                 
CONECT   39   37   68                                                 
CONECT   40   33   69                                                 
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   18                                                      
CONECT   52   21                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   28                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   35                                                      
CONECT   65   35                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   39                                                      
CONECT   69   40                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
