COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.823   1.042   0.262  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.650   2.524   2.309  1.00  0.00           C  
HETATM    3  C   UNL     1       2.373   1.179  -1.445  1.00  0.00           C  
HETATM    4  C   UNL     1       5.179  -0.063  -1.988  1.00  0.00           C  
HETATM    5  C   UNL     1       2.235   0.364  -2.546  1.00  0.00           C  
HETATM    6  CA  UNL     1      -0.124   1.901   1.092  1.00  0.00           C  
HETATM    7  C   UNL     1       1.304   1.345  -0.566  1.00  0.00           C  
HETATM    8  C   UNL     1       0.095   0.672  -0.822  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.022  -0.150  -1.945  1.00  0.00           C  
HETATM   10  C   UNL     1       1.039  -0.298  -2.792  1.00  0.00           C  
HETATM   11  C   UNL     1       3.996   2.809  -2.372  1.00  0.00           C  
HETATM   12  C   UNL     1       3.677   1.890  -1.191  1.00  0.00           C  
HETATM   13  C   UNL     1       4.780   0.876  -1.031  1.00  0.00           C  
HETATM   14  C   UNL     1       5.558   0.711   0.063  1.00  0.00           C  
HETATM   15  C   UNL     1       7.443  -0.807   0.722  1.00  0.00           C  
HETATM   16  C   UNL     1       7.254  -2.314   0.907  1.00  0.00           C  
HETATM   17  C   UNL     1       8.323  -2.849   1.863  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.218   0.582   0.437  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.271   1.494   0.361  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.571   1.060   0.524  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.832  -0.277   0.763  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.254  -0.743   0.941  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.624  -1.727  -0.225  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.792  -1.189   0.840  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.487  -0.767   0.673  1.00  0.00           C  
HETATM   26  F   UNL     1      -4.054  -2.494   1.074  1.00  0.00           F  
HETATM   27  N   UNL     1       6.420  -0.296  -0.193  1.00  0.00           N  
HETATM   28  N   UNL     1       8.142  -4.296   2.041  1.00  0.00           N  
HETATM   29  N   UNL     1       6.162  -0.766  -1.487  1.00  0.00           N  
HETATM   30  N   UNL     1       1.148   2.076   0.588  1.00  0.00           N  
HETATM   31  O   UNL     1      -1.792   2.299   2.663  1.00  0.00           O  
HETATM   32  OXT UNL     1       0.132   3.347   3.038  1.00  0.00           O  
HETATM   33  O   UNL     1      -7.029  -0.044  -1.480  1.00  0.00           O  
HETATM   34  O   UNL     1      -6.235  -2.340  -1.157  1.00  0.00           O  
HETATM   35  S   UNL     1      -6.944  -1.209  -0.671  1.00  0.00           S  
HETATM   36  H   UNL     1       4.747  -0.189  -2.970  1.00  0.00           H  
HETATM   37  H   UNL     1       3.065   0.238  -3.225  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.949  -0.668  -2.142  1.00  0.00           H  
HETATM   39  H   UNL     1       0.947  -0.934  -3.660  1.00  0.00           H  
HETATM   40  H   UNL     1       3.198   3.543  -2.487  1.00  0.00           H  
HETATM   41  H   UNL     1       4.939   3.323  -2.188  1.00  0.00           H  
HETATM   42  H   UNL     1       4.077   2.215  -3.283  1.00  0.00           H  
HETATM   43  H   UNL     1       3.596   2.484  -0.280  1.00  0.00           H  
HETATM   44  H   UNL     1       5.501   1.284   0.977  1.00  0.00           H  
HETATM   45  H   UNL     1       7.351  -0.308   1.687  1.00  0.00           H  
HETATM   46  H   UNL     1       8.432  -0.614   0.306  1.00  0.00           H  
HETATM   47  H   UNL     1       6.266  -2.508   1.323  1.00  0.00           H  
HETATM   48  H   UNL     1       7.347  -2.813  -0.057  1.00  0.00           H  
HETATM   49  H   UNL     1       9.312  -2.655   1.447  1.00  0.00           H  
HETATM   50  H   UNL     1       8.231  -2.350   2.827  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.070   2.539   0.174  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.386   1.766   0.465  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.273  -1.606   1.607  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.850   0.061   1.372  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.159  -2.038  -1.122  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.573  -2.561   0.475  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.149  -0.893   0.241  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.676  -1.478   0.732  1.00  0.00           H  
HETATM   59  H   UNL     1       8.159  -4.774   1.152  1.00  0.00           H  
HETATM   60  H   UNL     1       8.837  -4.673   2.668  1.00  0.00           H  
HETATM   61  H   UNL     1       1.833   2.634   0.989  1.00  0.00           H  
HETATM   62  HXT UNL     1      -0.302   3.710   3.822  1.00  0.00           H  
CONECT    1   18    6    6    8                                       
CONECT    2   31   31    6   32                                       
CONECT    3    7    7    5   12                                       
CONECT    4   29   29   13   36                                       
CONECT    5   10   10    3   37                                       
CONECT    6    2    1    1   30                                       
CONECT    7    8   30    3    3                                       
CONECT    8    1    9    9    7                                       
CONECT    9    8    8   10   38                                       
CONECT   10    9    5    5   39                                       
CONECT   11   12   40   41   42                                       
CONECT   12    3   13   11   43                                       
CONECT   13    4   12   14   14                                       
CONECT   14   13   13   27   44                                       
CONECT   15   27   16   45   46                                       
CONECT   16   15   17   47   48                                       
CONECT   17   16   28   49   50                                       
CONECT   18   19   19   25    1                                       
CONECT   19   20   18   18   51                                       
CONECT   20   21   21   19   52                                       
CONECT   21   22   20   20   24                                       
CONECT   22   35   21   53   54                                       
CONECT   23   35   55   56   57                                       
CONECT   24   21   26   25   25                                       
CONECT   25   24   24   18   58                                       
CONECT   26   24                                                      
CONECT   27   29   15   14                                            
CONECT   28   17   59   60                                            
CONECT   29    4    4   27                                            
CONECT   30    6    7   61                                            
CONECT   31    2    2                                                 
CONECT   32    2   62                                                 
CONECT   33   35   35                                                 
CONECT   34   35   35                                                 
CONECT   35   33   33   34   34                                       
CONECT   35   23   22                                                 
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   25                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   30                                                      
CONECT   62   32                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
