COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.651   0.831   1.247  1.00  0.00           C  
HETATM    2  C   UNL     1       4.934   0.327   1.308  1.00  0.00           C  
HETATM    3  C   UNL     1       5.248  -0.854   0.661  1.00  0.00           C  
HETATM    4  C   UNL     1       6.652  -1.398   0.732  1.00  0.00           C  
HETATM    5  C   UNL     1       9.245  -1.508  -0.365  1.00  0.00           C  
HETATM    6  C   UNL     1       4.278  -1.539  -0.052  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.418   0.782   0.004  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.082   1.958   2.122  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.431   1.499   0.816  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.274   0.584   1.125  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.987   0.924   0.715  1.00  0.00           C  
HETATM   12  CA  UNL     1       0.885   1.862  -0.129  1.00  0.00           C  
HETATM   13  C   UNL     1       1.764   2.814  -0.813  1.00  0.00           C  
HETATM   14  C   UNL     1       1.289   0.680   0.465  1.00  0.00           C  
HETATM   15  C   UNL     1       2.668   0.147   0.530  1.00  0.00           C  
HETATM   16  C   UNL     1       2.990  -1.045  -0.121  1.00  0.00           C  
HETATM   17  C   UNL     1       0.080   0.058   1.019  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.158  -1.124   1.723  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.429  -1.436   2.115  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.487  -0.586   1.819  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.403  -0.017   0.476  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.073  -0.470  -0.609  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.261  -1.397  -0.613  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.715  -1.242  -0.677  1.00  0.00           C  
HETATM   25  F   UNL     1       4.593  -2.693  -0.682  1.00  0.00           F  
HETATM   26  N   UNL     1      -0.479   1.999   0.026  1.00  0.00           N  
HETATM   27  N   UNL     1      -8.495  -0.608  -0.664  1.00  0.00           N  
HETATM   28  N   UNL     1      -9.778  -2.615  -0.641  1.00  0.00           N  
HETATM   29  N   UNL     1     -10.813  -0.540  -0.723  1.00  0.00           N  
HETATM   30  N   UNL     1      -5.473   0.067  -1.677  1.00  0.00           N  
HETATM   31  N   UNL     1      -4.500   0.808  -1.280  1.00  0.00           N  
HETATM   32  OXT UNL     1       1.250   3.937  -1.357  1.00  0.00           O  
HETATM   33  O   UNL     1       2.957   2.592  -0.891  1.00  0.00           O  
HETATM   34  O   UNL     1       7.092  -1.238  -1.863  1.00  0.00           O  
HETATM   35  O   UNL     1       7.760   0.668  -0.474  1.00  0.00           O  
HETATM   36  S   UNL     1       7.628  -0.736  -0.646  1.00  0.00           S  
HETATM   37  H   UNL     1       3.407   1.751   1.757  1.00  0.00           H  
HETATM   38  H   UNL     1       5.694   0.857   1.863  1.00  0.00           H  
HETATM   39  H   UNL     1       7.109  -1.102   1.676  1.00  0.00           H  
HETATM   40  H   UNL     1       6.624  -2.486   0.668  1.00  0.00           H  
HETATM   41  H   UNL     1       9.941  -1.187  -1.140  1.00  0.00           H  
HETATM   42  H   UNL     1       9.626  -1.208   0.611  1.00  0.00           H  
HETATM   43  H   UNL     1       9.141  -2.592  -0.397  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.919   2.619   1.899  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.444   1.089   2.673  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.349   2.491   2.727  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.070   2.368   0.266  1.00  0.00           H  
HETATM   48  H   UNL     1       2.234  -1.579  -0.677  1.00  0.00           H  
HETATM   49  H   UNL     1       0.659  -1.790   1.957  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.613  -2.351   2.659  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.485  -0.844   2.139  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.612  -0.247   1.510  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.210  -2.050  -1.484  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.254  -2.001   0.295  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.003   2.746  -0.304  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.451   0.360  -0.690  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.961  -3.136  -0.606  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.639  -3.061  -0.650  1.00  0.00           H  
HETATM   59  H   UNL     1     -11.674  -0.987  -0.732  1.00  0.00           H  
HETATM   60  HXT UNL     1       1.906   4.502  -1.786  1.00  0.00           H  
CONECT    1    2    2   15   37                                       
CONECT    2    3    1    1   38                                       
CONECT    3    4    6    6    2                                       
CONECT    4   36    3   39   40                                       
CONECT    5   36   41   42   43                                       
CONECT    6   25    3    3   16                                       
CONECT    7   31    9   21                                            
CONECT    8    9   44   45   46                                       
CONECT    9   10    7    8   47                                       
CONECT   10   11   11   20    9                                       
CONECT   11   17   26   10   10                                       
CONECT   12   13   14   14   26                                       
CONECT   13   33   33   12   32                                       
CONECT   14   15   12   12   17                                       
CONECT   15   16   16    1   14                                       
CONECT   16    6   15   15   48                                       
CONECT   17   14   18   18   11                                       
CONECT   18   17   17   19   49                                       
CONECT   19   18   20   20   50                                       
CONECT   20   19   19   10   51                                       
CONECT   21    7   22   22   52                                       
CONECT   22   30   21   21   23                                       
CONECT   23   27   22   53   54                                       
CONECT   24   29   29   27   28                                       
CONECT   25    6                                                      
CONECT   26   12   11   55                                            
CONECT   27   24   23   56                                            
CONECT   28   24   57   58                                            
CONECT   29   24   24   59                                            
CONECT   30   31   31   22                                            
CONECT   31   30   30    7                                            
CONECT   32   13   60                                                 
CONECT   33   13   13                                                 
CONECT   34   36   36                                                 
CONECT   35   36   36                                                 
CONECT   36   34   34   35   35                                       
CONECT   36    5    4                                                 
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   32                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
