COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.055  -0.522   0.099  1.00  0.00           C  
HETATM    2  C   UNL     1       1.281  -1.574  -0.800  1.00  0.00           C  
HETATM    3  C   UNL     1       4.795   0.234  -0.620  1.00  0.00           C  
HETATM    4  C   UNL     1       5.314   0.848   0.684  1.00  0.00           C  
HETATM    5  O   UNL     1       5.089  -0.167   1.692  1.00  0.00           O  
HETATM    6  C   UNL     1       4.593  -3.362  -1.093  1.00  0.00           C  
HETATM    7  C   UNL     1       3.720  -2.105  -1.088  1.00  0.00           C  
HETATM    8  C   UNL     1       2.342  -2.453  -0.589  1.00  0.00           C  
HETATM    9  C   UNL     1       2.127  -3.639   0.076  1.00  0.00           C  
HETATM   10  C   UNL     1       0.862  -3.972   0.542  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.193  -3.126   0.346  1.00  0.00           C  
HETATM   12  C   UNL     1       0.001  -1.917  -0.326  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.889  -0.810  -0.694  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.339  -0.710  -0.417  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.255  -0.705  -1.470  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.606  -0.612  -1.206  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.532  -0.427   0.380  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.806   1.194   0.762  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.152  -0.526   1.150  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.796  -0.619   0.898  1.00  0.00           C  
HETATM   21  CA  UNL     1      -0.106   0.118  -1.357  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.579   1.391  -1.908  1.00  0.00           C  
HETATM   23  C   UNL     1       4.796   2.248   1.008  1.00  0.00           C  
HETATM   24  C   UNL     1       6.049   2.783   0.293  1.00  0.00           C  
HETATM   25  C   UNL     1       6.693   3.979   0.998  1.00  0.00           C  
HETATM   26  C   UNL     1       6.722   1.439   0.623  1.00  0.00           C  
HETATM   27  C   UNL     1       4.523  -1.237   1.115  1.00  0.00           C  
HETATM   28  F   UNL     1      -4.597  -0.439   2.423  1.00  0.00           F  
HETATM   29  N   UNL     1       1.192  -0.345  -1.411  1.00  0.00           N  
HETATM   30  N   UNL     1       4.319  -1.099  -0.208  1.00  0.00           N  
HETATM   31  N   UNL     1       7.802   4.490   0.182  1.00  0.00           N  
HETATM   32  O   UNL     1      -6.396   1.946   1.522  1.00  0.00           O  
HETATM   33  O   UNL     1      -6.858   1.864  -0.884  1.00  0.00           O  
HETATM   34  O   UNL     1      -1.749   1.704  -1.800  1.00  0.00           O  
HETATM   35  OXT UNL     1       0.285   2.216  -2.536  1.00  0.00           O  
HETATM   36  O   UNL     1       4.223  -2.241   1.730  1.00  0.00           O  
HETATM   37  S   UNL     1      -7.029   1.318   0.416  1.00  0.00           S  
HETATM   38  H   UNL     1       3.974   0.827  -1.025  1.00  0.00           H  
HETATM   39  H   UNL     1       5.599   0.145  -1.350  1.00  0.00           H  
HETATM   40  H   UNL     1       4.662  -3.760  -0.080  1.00  0.00           H  
HETATM   41  H   UNL     1       4.148  -4.111  -1.748  1.00  0.00           H  
HETATM   42  H   UNL     1       5.590  -3.111  -1.454  1.00  0.00           H  
HETATM   43  H   UNL     1       3.651  -1.707  -2.100  1.00  0.00           H  
HETATM   44  H   UNL     1       2.951  -4.318   0.237  1.00  0.00           H  
HETATM   45  H   UNL     1       0.711  -4.906   1.062  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.175  -3.392   0.711  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.907  -0.775  -2.490  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.315  -0.609  -2.021  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.085  -0.946  -0.403  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.750  -0.887   1.344  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.292   0.627  -0.032  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.956   0.687   1.715  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.237   2.194   0.811  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.092  -0.622   1.717  1.00  0.00           H  
HETATM   55  H   UNL     1       3.863   2.498   0.502  1.00  0.00           H  
HETATM   56  H   UNL     1       4.771   2.470   2.075  1.00  0.00           H  
HETATM   57  H   UNL     1       5.905   2.950  -0.775  1.00  0.00           H  
HETATM   58  H   UNL     1       5.949   4.765   1.132  1.00  0.00           H  
HETATM   59  H   UNL     1       7.071   3.667   1.971  1.00  0.00           H  
HETATM   60  H   UNL     1       7.240   1.433   1.582  1.00  0.00           H  
HETATM   61  H   UNL     1       7.328   1.041  -0.191  1.00  0.00           H  
HETATM   62  H   UNL     1       1.933   0.124  -1.824  1.00  0.00           H  
HETATM   63  H   UNL     1       7.489   4.726  -0.748  1.00  0.00           H  
HETATM   64  H   UNL     1       8.244   5.280   0.626  1.00  0.00           H  
HETATM   65  HXT UNL     1      -0.119   3.031  -2.866  1.00  0.00           H  
CONECT    1   17   19   19   16                                       
CONECT    2   12   29    8    8                                       
CONECT    3   30    4   38   39                                       
CONECT    4    5   26    3   23                                       
CONECT    5   27    4                                                 
CONECT    6    7   40   41   42                                       
CONECT    7    8   30    6   43                                       
CONECT    8    2    2    9    7                                       
CONECT    9   10   10    8   44                                       
CONECT   10   11    9    9   45                                       
CONECT   11   12   12   10   46                                       
CONECT   12   13   11   11    2                                       
CONECT   13   14   21   21   12                                       
CONECT   14   20   20   15   13                                       
CONECT   15   16   16   14   47                                       
CONECT   16    1   15   15   48                                       
CONECT   17   37    1   49   50                                       
CONECT   18   37   51   52   53                                       
CONECT   19   28    1    1   20                                       
CONECT   20   19   14   14   54                                       
CONECT   21   22   13   13   29                                       
CONECT   22   34   34   21   35                                       
CONECT   23    4   24   55   56                                       
CONECT   24   26   25   23   57                                       
CONECT   25   24   31   58   59                                       
CONECT   26    4   24   60   61                                       
CONECT   27   36   36    5   30                                       
CONECT   28   19                                                      
CONECT   29   21    2   62                                            
CONECT   30   27    7    3                                            
CONECT   31   25   63   64                                            
CONECT   32   37   37                                                 
CONECT   33   37   37                                                 
CONECT   34   22   22                                                 
CONECT   35   22   65                                                 
CONECT   36   27   27                                                 
CONECT   37   33   33   32   32                                       
CONECT   37   18   17                                                 
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   29                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   35                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
