COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.202  -2.883  -0.668  1.00  0.00           C  
HETATM    2  CA  UNL     1      -2.260  -1.975  -0.009  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.577  -0.742   0.533  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.911  -0.102   0.556  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.952  -0.678   1.285  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.193  -0.078   1.304  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.409   1.095   0.603  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.770   1.742   0.623  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.331   1.989  -0.526  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.380   1.674  -0.123  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.131   1.084  -0.145  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.330  -0.195   1.080  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.007   0.992   1.741  1.00  0.00           C  
HETATM   14  C   UNL     1       0.279   1.220   2.139  1.00  0.00           C  
HETATM   15  C   UNL     1       1.270   0.280   1.891  1.00  0.00           C  
HETATM   16  C   UNL     1       0.976  -0.897   1.241  1.00  0.00           C  
HETATM   17  C   UNL     1       2.062  -1.908   0.979  1.00  0.00           C  
HETATM   18  C   UNL     1       4.857  -0.201  -0.491  1.00  0.00           C  
HETATM   19  C   UNL     1       6.112   0.632  -0.517  1.00  0.00           C  
HETATM   20  C   UNL     1       9.149   1.540   0.400  1.00  0.00           C  
HETATM   21  C   UNL     1      10.517   2.175   0.143  1.00  0.00           C  
HETATM   22  C   UNL     1       4.145  -0.560   0.603  1.00  0.00           C  
HETATM   23  C   UNL     1       2.666  -2.364   2.309  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.330  -1.152   0.826  1.00  0.00           C  
HETATM   25  F   UNL     1      -5.598   2.819  -0.807  1.00  0.00           F  
HETATM   26  N   UNL     1       3.106  -1.299   0.151  1.00  0.00           N  
HETATM   27  N   UNL     1       3.194  -1.377  -1.131  1.00  0.00           N  
HETATM   28  N   UNL     1       4.224  -0.728  -1.545  1.00  0.00           N  
HETATM   29  N   UNL     1       7.283  -0.248  -0.525  1.00  0.00           N  
HETATM   30  N   UNL     1      10.821   3.132   1.215  1.00  0.00           N  
HETATM   31  N   UNL     1      -0.913  -2.214   0.176  1.00  0.00           N  
HETATM   32  OXT UNL     1      -2.772  -4.066  -1.154  1.00  0.00           O  
HETATM   33  O   UNL     1      -4.373  -2.572  -0.773  1.00  0.00           O  
HETATM   34  O   UNL     1      -8.181   1.493  -1.970  1.00  0.00           O  
HETATM   35  O   UNL     1      -9.008  -0.292  -0.507  1.00  0.00           O  
HETATM   36  O   UNL     1       8.557   1.037  -2.152  1.00  0.00           O  
HETATM   37  O   UNL     1       9.639  -0.766  -0.849  1.00  0.00           O  
HETATM   38  S   UNL     1      -8.771   1.089  -0.742  1.00  0.00           S  
HETATM   39  S   UNL     1       8.772   0.358  -0.923  1.00  0.00           S  
HETATM   40  H   UNL     1      -4.786  -1.594   1.833  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.999  -0.524   1.868  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.262   1.525   1.571  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.661   2.821   0.509  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.748   1.764   0.456  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.147   3.060  -0.606  1.00  0.00           H  
HETATM   46  H   UNL     1     -11.036   1.683  -1.299  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.329   1.535  -0.711  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.773   1.728   1.937  1.00  0.00           H  
HETATM   49  H   UNL     1       0.528   2.138   2.650  1.00  0.00           H  
HETATM   50  H   UNL     1       2.283   0.474   2.212  1.00  0.00           H  
HETATM   51  H   UNL     1       1.641  -2.768   0.458  1.00  0.00           H  
HETATM   52  H   UNL     1       6.118   1.253  -1.413  1.00  0.00           H  
HETATM   53  H   UNL     1       6.143   1.270   0.366  1.00  0.00           H  
HETATM   54  H   UNL     1       9.164   1.020   1.358  1.00  0.00           H  
HETATM   55  H   UNL     1       8.385   2.317   0.421  1.00  0.00           H  
HETATM   56  H   UNL     1      11.280   1.397   0.122  1.00  0.00           H  
HETATM   57  H   UNL     1      10.502   2.694  -0.815  1.00  0.00           H  
HETATM   58  H   UNL     1       4.363  -0.306   1.630  1.00  0.00           H  
HETATM   59  H   UNL     1       3.088  -1.504   2.830  1.00  0.00           H  
HETATM   60  H   UNL     1       1.889  -2.817   2.924  1.00  0.00           H  
HETATM   61  H   UNL     1       3.452  -3.095   2.119  1.00  0.00           H  
HETATM   62  H   UNL     1       7.186  -1.186  -0.297  1.00  0.00           H  
HETATM   63  H   UNL     1      11.721   3.565   1.067  1.00  0.00           H  
HETATM   64  H   UNL     1      10.094   3.827   1.296  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.446  -3.014  -0.112  1.00  0.00           H  
HETATM   66  HXT UNL     1      -3.465  -4.595  -1.571  1.00  0.00           H  
CONECT    1   33   33   32    2                                       
CONECT    2    1    3    3   31                                       
CONECT    3    4    2    2   12                                       
CONECT    4   11   11    5    3                                       
CONECT    5    6    6    4   40                                       
CONECT    6    7    5    5   41                                       
CONECT    7    8   10   10    6                                       
CONECT    8   38    7   42   43                                       
CONECT    9   38   44   45   46                                       
CONECT   10   25    7    7   11                                       
CONECT   11   10    4    4   47                                       
CONECT   12    3   13   13   24                                       
CONECT   13   12   12   14   48                                       
CONECT   14   13   15   15   49                                       
CONECT   15   14   14   16   50                                       
CONECT   16   24   24   15   17                                       
CONECT   17   16   26   23   51                                       
CONECT   18   28   22   22   19                                       
CONECT   19   18   29   52   53                                       
CONECT   20   39   21   54   55                                       
CONECT   21   20   30   56   57                                       
CONECT   22   26   18   18   58                                       
CONECT   23   17   59   60   61                                       
CONECT   24   12   31   16   16                                       
CONECT   25   10                                                      
CONECT   26   27   17   22                                            
CONECT   27   28   28   26                                            
CONECT   28   27   27   18                                            
CONECT   29   39   19   62                                            
CONECT   30   21   63   64                                            
CONECT   31    2   24   65                                            
CONECT   32    1   66                                                 
CONECT   33    1    1                                                 
CONECT   34   38   38                                                 
CONECT   35   38   38                                                 
CONECT   36   39   39                                                 
CONECT   37   39   39                                                 
CONECT   38   35   35   34   34                                       
CONECT   38    9    8                                                 
CONECT   39   37   37   20   36                                       
CONECT   39   36   29                                                 
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
