COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.121   2.039  -2.021  1.00  0.00           C  
HETATM    2  C   UNL     1       2.466   1.520  -0.739  1.00  0.00           C  
HETATM    3  C   UNL     1       1.309   0.622  -1.094  1.00  0.00           C  
HETATM    4  C   UNL     1       0.021   0.943  -0.671  1.00  0.00           C  
HETATM    5  CA  UNL     1      -1.852   1.842   0.214  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.731   2.762   0.942  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.256   0.690  -0.437  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.635   0.163  -0.529  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.616   0.882  -1.215  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.900   0.386  -1.298  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.219  -0.822  -0.704  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.626  -1.355  -0.794  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.217  -1.494   0.304  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.251  -1.542  -0.022  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.960  -1.058   0.063  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.047   0.095  -1.018  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.808  -1.053  -1.778  1.00  0.00           C  
HETATM   18  C   UNL     1       0.463  -1.347  -2.182  1.00  0.00           C  
HETATM   19  C   UNL     1       1.521  -0.514  -1.842  1.00  0.00           C  
HETATM   20  C   UNL     1       4.435  -0.013  -0.468  1.00  0.00           C  
HETATM   21  C   UNL     1       5.103  -0.517   0.595  1.00  0.00           C  
HETATM   22  C   UNL     1       6.291  -1.444   0.558  1.00  0.00           C  
HETATM   23  C   UNL     1       8.721  -1.283   0.633  1.00  0.00           C  
HETATM   24  CA  UNL     1       9.991  -0.476   0.727  1.00  0.00           C  
HETATM   25  C   UNL     1      10.323   0.113  -0.646  1.00  0.00           C  
HETATM   26  F   UNL     1      -5.570  -2.721   0.556  1.00  0.00           F  
HETATM   27  N   UNL     1      -0.487   1.985   0.069  1.00  0.00           N  
HETATM   28  N   UNL     1       3.450   0.764   0.039  1.00  0.00           N  
HETATM   29  N   UNL     1       7.525  -0.661   0.648  1.00  0.00           N  
HETATM   30  N   UNL     1      11.091  -1.345   1.166  1.00  0.00           N  
HETATM   31  N   UNL     1       4.502  -0.031   1.687  1.00  0.00           N  
HETATM   32  N   UNL     1       3.527   0.725   1.324  1.00  0.00           N  
HETATM   33  O   UNL     1      -3.924   2.538   1.007  1.00  0.00           O  
HETATM   34  OXT UNL     1      -2.216   3.856   1.539  1.00  0.00           O  
HETATM   35  O   UNL     1      -8.059  -1.299   1.806  1.00  0.00           O  
HETATM   36  O   UNL     1      -8.719   0.667   0.499  1.00  0.00           O  
HETATM   37  O   UNL     1       8.775  -2.491   0.545  1.00  0.00           O  
HETATM   38  O   UNL     1      11.460   0.971  -0.533  1.00  0.00           O  
HETATM   39  S   UNL     1      -8.595  -0.744   0.613  1.00  0.00           S  
HETATM   40  H   UNL     1       3.482   1.197  -2.612  1.00  0.00           H  
HETATM   41  H   UNL     1       2.389   2.602  -2.601  1.00  0.00           H  
HETATM   42  H   UNL     1       3.958   2.688  -1.765  1.00  0.00           H  
HETATM   43  H   UNL     1       2.105   2.362  -0.149  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.369   1.826  -1.679  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.659   0.942  -1.829  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.084  -1.017  -1.724  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.604  -2.444  -0.775  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.599  -1.153  -0.658  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.119  -2.580   0.291  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.909  -1.202   1.094  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.205  -1.619   0.595  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.626  -1.705  -2.045  1.00  0.00           H  
HETATM   53  H   UNL     1       0.647  -2.234  -2.769  1.00  0.00           H  
HETATM   54  H   UNL     1       2.520  -0.758  -2.172  1.00  0.00           H  
HETATM   55  H   UNL     1       4.648  -0.191  -1.512  1.00  0.00           H  
HETATM   56  H   UNL     1       6.238  -2.138   1.397  1.00  0.00           H  
HETATM   57  H   UNL     1       6.284  -2.005  -0.377  1.00  0.00           H  
HETATM   58  HA  UNL     1       9.856   0.331   1.446  1.00  0.00           H  
HETATM   59  H1  UNL     1      10.544  -0.694  -1.344  1.00  0.00           H  
HETATM   60  H2  UNL     1       9.470   0.686  -1.011  1.00  0.00           H  
HETATM   61  H   UNL     1       0.037   2.714   0.435  1.00  0.00           H  
HETATM   62  H   UNL     1       7.482   0.306   0.719  1.00  0.00           H  
HETATM   63  H1  UNL     1      10.925  -1.695   2.098  1.00  0.00           H  
HETATM   64  H2  UNL     1      11.236  -2.102   0.515  1.00  0.00           H  
HETATM   65  HXT UNL     1      -2.872   4.402   1.993  1.00  0.00           H  
HETATM   66  H   UNL     1      11.728   1.381  -1.367  1.00  0.00           H  
CONECT    1    2   40   41   42                                       
CONECT    2    3   28    1   43                                       
CONECT    3    4    4   19    2                                       
CONECT    4   16   27    3    3                                       
CONECT    5    6    7    7   27                                       
CONECT    6   33   33   34    5                                       
CONECT    7    8    5    5   16                                       
CONECT    8   15   15    9    7                                       
CONECT    9   10   10    8   44                                       
CONECT   10   11    9    9   45                                       
CONECT   11   12   14   14   10                                       
CONECT   12   39   11   46   47                                       
CONECT   13   39   48   49   50                                       
CONECT   14   26   11   11   15                                       
CONECT   15   14    8    8   51                                       
CONECT   16    7   17   17    4                                       
CONECT   17   16   16   18   52                                       
CONECT   18   17   19   19   53                                       
CONECT   19   18   18    3   54                                       
CONECT   20   21   21   28   55                                       
CONECT   21   20   20   22   31                                       
CONECT   22   29   21   56   57                                       
CONECT   23   37   37   29   24                                       
CONECT   24   23   30   25   58                                       
CONECT   25   24   38   59   60                                       
CONECT   26   14                                                      
CONECT   27    5    4   61                                            
CONECT   28   20    2   32                                            
CONECT   29   23   22   62                                            
CONECT   30   24   63   64                                            
CONECT   31   21   32   32                                            
CONECT   32   28   31   31                                            
CONECT   33    6    6                                                 
CONECT   34    6   65                                                 
CONECT   35   39   39                                                 
CONECT   36   39   39                                                 
CONECT   37   23   23                                                 
CONECT   38   25   66                                                 
CONECT   39   36   36   35   35                                       
CONECT   39   13   12                                                 
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   27                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   34                                                      
CONECT   66   38                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
