COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.652   2.838   0.227  1.00  0.00           N  
HETATM    2  C   UNL     1       4.651   0.013   0.500  1.00  0.00           C  
HETATM    3  O   UNL     1       1.146  -1.885  -1.776  1.00  0.00           O  
HETATM    4  C   UNL     1       5.048   1.339   0.629  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.997  -1.158  -1.429  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.163  -0.772  -0.556  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.119   0.107  -1.030  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.191   0.462  -0.230  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.306  -0.064   1.047  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.346  -0.944   1.521  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.278  -1.301   0.715  1.00  0.00           C  
HETATM   12  C   UNL     1       2.399  -3.560  -0.074  1.00  0.00           C  
HETATM   13  C   UNL     1       1.633  -4.524  -0.982  1.00  0.00           C  
HETATM   14  C   UNL     1       2.889  -4.309   1.167  1.00  0.00           C  
HETATM   15  C   UNL     1       4.123   2.359   0.554  1.00  0.00           C  
HETATM   16  C   UNL     1       3.599  -2.990  -0.833  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.826   2.460  -0.147  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.795   0.894  -1.962  1.00  0.00           C  
HETATM   19  C   UNL     1       2.780   2.061   0.346  1.00  0.00           C  
HETATM   20  C   UNL     1       2.381   0.716   0.216  1.00  0.00           C  
HETATM   21  C   UNL     1       3.339  -0.303   0.296  1.00  0.00           C  
HETATM   22  CA  UNL     1       0.562   2.012   0.027  1.00  0.00           C  
HETATM   23  C   UNL     1       0.980   0.718   0.016  1.00  0.00           C  
HETATM   24  C   UNL     1       0.108  -0.496  -0.175  1.00  0.00           C  
HETATM   25  C   UNL     1       0.960  -1.665  -0.598  1.00  0.00           C  
HETATM   26  F   UNL     1      -6.351   0.282   1.830  1.00  0.00           F  
HETATM   27  F   UNL     1      -4.455  -1.458   2.766  1.00  0.00           F  
HETATM   28  F   UNL     1      -6.125   1.321  -0.694  1.00  0.00           F  
HETATM   29  N   UNL     1      -0.892  -0.221  -1.211  1.00  0.00           N  
HETATM   30  N   UNL     1       1.514  -2.466   0.334  1.00  0.00           N  
HETATM   31  O   UNL     1      -1.722   1.643  -0.231  1.00  0.00           O  
HETATM   32  OXT UNL     1      -1.105   3.777  -0.214  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.684   1.184  -2.735  1.00  0.00           O  
HETATM   34 CL   UNL     1       6.723   1.715   0.887  1.00  0.00          Cl  
HETATM   35  H   UNL     1       1.625   3.806   0.280  1.00  0.00           H  
HETATM   36  H   UNL     1       5.387  -0.774   0.562  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.673  -2.167  -1.177  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.300  -1.124  -2.476  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.029   0.516  -2.026  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.530  -1.987   1.084  1.00  0.00           H  
HETATM   41  H   UNL     1       1.283  -3.991  -1.866  1.00  0.00           H  
HETATM   42  H   UNL     1       2.291  -5.338  -1.286  1.00  0.00           H  
HETATM   43  H   UNL     1       0.777  -4.931  -0.442  1.00  0.00           H  
HETATM   44  H   UNL     1       2.034  -4.716   1.707  1.00  0.00           H  
HETATM   45  H   UNL     1       3.547  -5.123   0.863  1.00  0.00           H  
HETATM   46  H   UNL     1       3.434  -3.623   1.814  1.00  0.00           H  
HETATM   47  H   UNL     1       4.441   3.386   0.655  1.00  0.00           H  
HETATM   48  H   UNL     1       4.144  -2.303  -0.186  1.00  0.00           H  
HETATM   49  H   UNL     1       4.257  -3.804  -1.136  1.00  0.00           H  
HETATM   50  H   UNL     1       3.250  -2.457  -1.717  1.00  0.00           H  
HETATM   51  H   UNL     1       0.074   1.529  -1.875  1.00  0.00           H  
HETATM   52  H   UNL     1       3.040  -1.336   0.197  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.396  -0.733   0.762  1.00  0.00           H  
HETATM   54  H   UNL     1       1.327  -2.318   1.274  1.00  0.00           H  
HETATM   55  HXT UNL     1      -2.033   4.024  -0.330  1.00  0.00           H  
CONECT    1   19   22   35                                            
CONECT    2    4    4   21   36                                       
CONECT    3   25   25                                                 
CONECT    4   15   34    2    2                                       
CONECT    5   29    6   37   38                                       
CONECT    6   11   11    7    5                                       
CONECT    7    8    8    6   39                                       
CONECT    8    9   28    7    7                                       
CONECT    9   26   10   10    8                                       
CONECT   10   27    9    9   11                                       
CONECT   11   10    6    6   40                                       
CONECT   12   13   30   16   14                                       
CONECT   13   12   41   42   43                                       
CONECT   14   12   44   45   46                                       
CONECT   15   19   19    4   47                                       
CONECT   16   12   48   49   50                                       
CONECT   17   31   31   22   32                                       
CONECT   18   29   33   33   51                                       
CONECT   19   15   15    1   20                                       
CONECT   20   19   23   21   21                                       
CONECT   21   20   20    2   52                                       
CONECT   22    1   17   23   23                                       
CONECT   23   22   22   20   24                                       
CONECT   24   23   25   29   53                                       
CONECT   25   30   24    3    3                                       
CONECT   26    9                                                      
CONECT   27   10                                                      
CONECT   28    8                                                      
CONECT   29   24   18    5                                            
CONECT   30   12   25   54                                            
CONECT   31   17   17                                                 
CONECT   32   17   55                                                 
CONECT   33   18   18                                                 
CONECT   34    4                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   18                                                      
CONECT   52   21                                                      
CONECT   53   24                                                      
CONECT   54   30                                                      
CONECT   55   32                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
