COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.876   0.279   0.534  1.00  0.00           C  
HETATM    2  C   UNL     1       4.094   3.685   1.187  1.00  0.00           C  
HETATM    3  C   UNL     1       3.431   2.306   1.194  1.00  0.00           C  
HETATM    4  C   UNL     1       2.063   2.404   0.569  1.00  0.00           C  
HETATM    5  C   UNL     1       1.135   1.381   0.755  1.00  0.00           C  
HETATM    6  CA  UNL     1      -0.019  -0.479   1.315  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.335  -1.779   1.909  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.263  -0.063   0.155  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.253  -0.157   1.134  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.546  -0.477   0.778  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.865  -0.706  -0.555  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.258   1.434  -0.370  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.880  -0.613  -1.536  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.586  -0.288  -1.186  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.137   1.492   0.164  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.456   2.618  -0.599  1.00  0.00           C  
HETATM   17  C   UNL     1       0.470   3.608  -0.768  1.00  0.00           C  
HETATM   18  C   UNL     1       1.727   3.504  -0.187  1.00  0.00           C  
HETATM   19  C   UNL     1       4.842   0.120   0.950  1.00  0.00           C  
HETATM   20  C   UNL     1       5.584  -0.458  -0.259  1.00  0.00           C  
HETATM   21  C   UNL     1       7.039  -0.855  -0.014  1.00  0.00           C  
HETATM   22  C   UNL     1       6.780  -2.050  -0.949  1.00  0.00           C  
HETATM   23  C   UNL     1       7.422  -3.354  -0.470  1.00  0.00           C  
HETATM   24  C   UNL     1       5.291  -1.923  -0.577  1.00  0.00           C  
HETATM   25  C   UNL     1       4.587   1.495  -0.864  1.00  0.00           C  
HETATM   26  F   UNL     1      -4.193  -0.837  -2.831  1.00  0.00           F  
HETATM   27  N   UNL     1       1.183   0.190   1.441  1.00  0.00           N  
HETATM   28  N   UNL     1      -6.175  -1.029  -0.912  1.00  0.00           N  
HETATM   29  N   UNL     1       4.251   1.365   0.428  1.00  0.00           N  
HETATM   30  N   UNL     1       7.221  -4.400  -1.482  1.00  0.00           N  
HETATM   31  OXT UNL     1       0.588  -2.423   2.653  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.430  -2.278   1.732  1.00  0.00           O  
HETATM   33  O   UNL     1      -7.205  -0.675   1.264  1.00  0.00           O  
HETATM   34  O   UNL     1      -8.597  -0.838  -0.774  1.00  0.00           O  
HETATM   35  O   UNL     1       5.351   0.488  -1.330  1.00  0.00           O  
HETATM   36  O   UNL     1       4.235   2.433  -1.552  1.00  0.00           O  
HETATM   37  S   UNL     1      -7.447  -0.350  -0.098  1.00  0.00           S  
HETATM   38  H   UNL     1       4.188   4.037   0.160  1.00  0.00           H  
HETATM   39  H   UNL     1       3.484   4.385   1.757  1.00  0.00           H  
HETATM   40  H   UNL     1       5.084   3.614   1.639  1.00  0.00           H  
HETATM   41  H   UNL     1       3.336   1.954   2.221  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.006   0.020   2.171  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.312  -0.549   1.536  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.297   1.762   0.028  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.299   1.645  -1.438  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.062   1.966   0.137  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.822  -0.216  -1.946  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.431   2.705  -1.054  1.00  0.00           H  
HETATM   49  H   UNL     1       0.222   4.478  -1.358  1.00  0.00           H  
HETATM   50  H   UNL     1       2.448   4.295  -0.330  1.00  0.00           H  
HETATM   51  H   UNL     1       4.062  -0.564   1.285  1.00  0.00           H  
HETATM   52  H   UNL     1       5.537   0.335   1.761  1.00  0.00           H  
HETATM   53  H   UNL     1       7.761  -0.140  -0.408  1.00  0.00           H  
HETATM   54  H   UNL     1       7.247  -1.143   1.016  1.00  0.00           H  
HETATM   55  H   UNL     1       6.987  -1.837  -1.998  1.00  0.00           H  
HETATM   56  H   UNL     1       8.489  -3.198  -0.316  1.00  0.00           H  
HETATM   57  H   UNL     1       6.960  -3.662   0.468  1.00  0.00           H  
HETATM   58  H   UNL     1       5.007  -2.512   0.295  1.00  0.00           H  
HETATM   59  H   UNL     1       4.616  -2.061  -1.422  1.00  0.00           H  
HETATM   60  H   UNL     1       1.949  -0.133   1.941  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.340  -1.652  -1.637  1.00  0.00           H  
HETATM   62  H   UNL     1       7.636  -5.271  -1.188  1.00  0.00           H  
HETATM   63  H   UNL     1       6.240  -4.518  -1.690  1.00  0.00           H  
HETATM   64  HXT UNL     1       0.287  -3.273   3.003  1.00  0.00           H  
CONECT    1    8    6    6   15                                       
CONECT    2    3   38   39   40                                       
CONECT    3    4   29    2   41                                       
CONECT    4    5    5   18    3                                       
CONECT    5   15   27    4    4                                       
CONECT    6    7    1    1   27                                       
CONECT    7   32   32    6   31                                       
CONECT    8    9    9   14    1                                       
CONECT    9   10    8    8   42                                       
CONECT   10   11   11    9   43                                       
CONECT   11   28   10   10   13                                       
CONECT   12   37   44   45   46                                       
CONECT   13   11   26   14   14                                       
CONECT   14   13   13    8   47                                       
CONECT   15    1   16   16    5                                       
CONECT   16   15   15   17   48                                       
CONECT   17   16   18   18   49                                       
CONECT   18   17   17    4   50                                       
CONECT   19   29   20   51   52                                       
CONECT   20   35   21   19   24                                       
CONECT   21   20   22   53   54                                       
CONECT   22   21   24   23   55                                       
CONECT   23   22   30   56   57                                       
CONECT   24   20   22   58   59                                       
CONECT   25   36   36   35   29                                       
CONECT   26   13                                                      
CONECT   27    6    5   60                                            
CONECT   28   37   11   61                                            
CONECT   29   25    3   19                                            
CONECT   30   23   62   63                                            
CONECT   31    7   64                                                 
CONECT   32    7    7                                                 
CONECT   33   37   37                                                 
CONECT   34   37   37                                                 
CONECT   35   25   20                                                 
CONECT   36   25   25                                                 
CONECT   37   33   33   34   34                                       
CONECT   37   12   28                                                 
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   14                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
