COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.256   1.853  -1.276  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.134   0.512  -0.901  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.283  -0.291  -0.780  1.00  0.00           C  
HETATM    4  CA  UNL     1      -0.508  -1.594  -0.278  1.00  0.00           C  
HETATM    5  C   UNL     1       0.274  -2.772   0.108  1.00  0.00           C  
HETATM    6  C   UNL     1       0.010  -0.346  -0.572  1.00  0.00           C  
HETATM    7  C   UNL     1       1.437   0.046  -0.559  1.00  0.00           C  
HETATM    8  C   UNL     1       2.330  -0.527  -1.466  1.00  0.00           C  
HETATM    9  C   UNL     1       3.659  -0.159  -1.449  1.00  0.00           C  
HETATM   10  C   UNL     1       4.109   0.779  -0.536  1.00  0.00           C  
HETATM   11  C   UNL     1       5.564   1.172  -0.521  1.00  0.00           C  
HETATM   12  C   UNL     1       8.165   0.721   0.465  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.600   0.124   3.164  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.878   0.308   1.854  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.688   0.026   0.127  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.777  -0.575  -0.913  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.499  -0.619  -2.260  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.533   0.268  -1.037  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.630   1.591  -1.405  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.492   2.379  -1.522  1.00  0.00           C  
HETATM   21  C   UNL     1       3.229   1.353   0.367  1.00  0.00           C  
HETATM   22  C   UNL     1       1.894   0.995   0.356  1.00  0.00           C  
HETATM   23  F   UNL     1       3.675   2.267   1.256  1.00  0.00           F  
HETATM   24  N   UNL     1      -6.111  -0.572   1.255  1.00  0.00           N  
HETATM   25  N   UNL     1      -1.882  -1.551  -0.404  1.00  0.00           N  
HETATM   26  N   UNL     1      -6.216   1.213   0.093  1.00  0.00           N  
HETATM   27  O   UNL     1       1.485  -2.697   0.189  1.00  0.00           O  
HETATM   28  OXT UNL     1      -0.349  -3.939   0.372  1.00  0.00           O  
HETATM   29  O   UNL     1       6.011   0.299   1.927  1.00  0.00           O  
HETATM   30  O   UNL     1       6.448  -1.241   0.069  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.900   1.395   1.078  1.00  0.00           O  
HETATM   32  S   UNL     1       6.475   0.076   0.602  1.00  0.00           S  
HETATM   33  H   UNL     1      -0.376   2.473  -1.365  1.00  0.00           H  
HETATM   34  H   UNL     1       1.981  -1.260  -2.179  1.00  0.00           H  
HETATM   35  H   UNL     1       4.350  -0.603  -2.150  1.00  0.00           H  
HETATM   36  H   UNL     1       5.975   1.085  -1.526  1.00  0.00           H  
HETATM   37  H   UNL     1       5.657   2.203  -0.178  1.00  0.00           H  
HETATM   38  H   UNL     1       8.499   0.647  -0.569  1.00  0.00           H  
HETATM   39  H   UNL     1       8.182   1.765   0.779  1.00  0.00           H  
HETATM   40  H   UNL     1       8.828   0.139   1.104  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.958   0.450   3.982  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.514   0.718   3.161  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.851  -0.928   3.296  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.502  -1.586  -0.614  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.399  -1.228  -2.170  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.774   0.393  -2.559  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.840  -1.053  -3.012  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.600   2.021  -1.604  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.586   3.416  -1.808  1.00  0.00           H  
HETATM   50  H   UNL     1       1.208   1.443   1.060  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.477  -2.301  -0.251  1.00  0.00           H  
HETATM   52  HXT UNL     1       0.250  -4.657   0.618  1.00  0.00           H  
CONECT    1    2    2   20   33                                       
CONECT    2    6    1    1    3                                       
CONECT    3    2   25   18   18                                       
CONECT    4    5    6    6   25                                       
CONECT    5   27   27   28    4                                       
CONECT    6    7    4    4    2                                       
CONECT    7   22   22    8    6                                       
CONECT    8    9    9    7   34                                       
CONECT    9   10    8    8   35                                       
CONECT   10   11   21   21    9                                       
CONECT   11   32   10   36   37                                       
CONECT   12   32   38   39   40                                       
CONECT   13   14   41   42   43                                       
CONECT   14   31   24   24   13                                       
CONECT   15   26   26   16   24                                       
CONECT   16   18   15   17   44                                       
CONECT   17   16   45   46   47                                       
CONECT   18    3    3   19   16                                       
CONECT   19   20   20   18   48                                       
CONECT   20    1   19   19   49                                       
CONECT   21   23   10   10   22                                       
CONECT   22   21    7    7   50                                       
CONECT   23   21                                                      
CONECT   24   15   14   14                                            
CONECT   25    4    3   51                                            
CONECT   26   31   15   15                                            
CONECT   27    5    5                                                 
CONECT   28    5   52                                                 
CONECT   29   32   32                                                 
CONECT   30   32   32                                                 
CONECT   31   26   14                                                 
CONECT   32   30   30   29   29                                       
CONECT   32   12   11                                                 
CONECT   33    1                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   25                                                      
CONECT   52   28                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
