COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.497   3.161   0.172  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.743   2.021   0.335  1.00  0.00           C  
HETATM    3  C   UNL     1       0.440  -0.662  -0.246  1.00  0.00           C  
HETATM    4  C   UNL     1       1.875  -0.953   0.112  1.00  0.00           C  
HETATM    5  C   UNL     1       2.951  -0.546  -0.896  1.00  0.00           C  
HETATM    6  C   UNL     1       2.603  -2.023  -0.704  1.00  0.00           C  
HETATM    7  C   UNL     1       4.270  -0.064  -0.349  1.00  0.00           C  
HETATM    8  C   UNL     1       4.718   1.209  -0.646  1.00  0.00           C  
HETATM    9  C   UNL     1       5.928   1.650  -0.144  1.00  0.00           C  
HETATM   10  C   UNL     1       6.690   0.818   0.655  1.00  0.00           C  
HETATM   11  C   UNL     1       6.242  -0.455   0.952  1.00  0.00           C  
HETATM   12  F   UNL     1      -1.912   4.374   0.273  1.00  0.00           F  
HETATM   13  C   UNL     1      -2.353   0.766   0.228  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.730   0.675  -0.043  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.065  -0.659  -0.094  1.00  0.00           N  
HETATM   16  CA  UNL     1      -2.941  -1.436   0.138  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.857  -0.608   0.343  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.549  -1.000   0.606  1.00  0.00           N  
HETATM   19  O   UNL     1       0.175  -0.124  -1.300  1.00  0.00           O  
HETATM   20  C   UNL     1       5.030  -0.895   0.454  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.910  -2.854   0.160  1.00  0.00           C  
HETATM   22  OXT UNL     1      -4.062  -3.555   0.112  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.844  -3.438   0.223  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.473   1.843  -0.203  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.858   3.070  -0.102  1.00  0.00           C  
HETATM   26  H   UNL     1      -0.686   2.094   0.543  1.00  0.00           H  
HETATM   27  H   UNL     1       2.121  -0.874   1.171  1.00  0.00           H  
HETATM   28  H   UNL     1       2.621  -0.066  -1.818  1.00  0.00           H  
HETATM   29  H   UNL     1       3.328  -2.647  -0.182  1.00  0.00           H  
HETATM   30  H   UNL     1       2.045  -2.516  -1.500  1.00  0.00           H  
HETATM   31  H   UNL     1       4.123   1.859  -1.270  1.00  0.00           H  
HETATM   32  H   UNL     1       6.279   2.645  -0.376  1.00  0.00           H  
HETATM   33  H   UNL     1       7.636   1.163   1.046  1.00  0.00           H  
HETATM   34  H   UNL     1       6.837  -1.106   1.575  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.956  -1.003  -0.266  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.348  -1.516   1.402  1.00  0.00           H  
HETATM   37  H   UNL     1       4.677  -1.888   0.689  1.00  0.00           H  
HETATM   38  HXT UNL     1      -3.940  -4.515   0.132  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.530   1.785  -0.417  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.440   3.971  -0.228  1.00  0.00           H  
CONECT    1   25   12    2    2                                       
CONECT    2    1    1   13   26                                       
CONECT    3   18   19   19    4                                       
CONECT    4    3    6    5   27                                       
CONECT    5    4    6    7   28                                       
CONECT    6    4    5   29   30                                       
CONECT    7    5    8    8   20                                       
CONECT    8    7    7    9   31                                       
CONECT    9    8   10   10   32                                       
CONECT   10    9    9   11   33                                       
CONECT   11   20   20   10   34                                       
CONECT   12    1                                                      
CONECT   13   14   14    2   17                                       
CONECT   14   24   15   13   13                                       
CONECT   15   14   16   35                                            
CONECT   16   15   21   17   17                                       
CONECT   17   13   16   16   18                                       
CONECT   18   17    3   36                                            
CONECT   19    3    3                                                 
CONECT   20    7   11   11   37                                       
CONECT   21   23   23   16   22                                       
CONECT   22   21   38                                                 
CONECT   23   21   21                                                 
CONECT   24   25   25   14   39                                       
CONECT   25   24   24    1   40                                       
CONECT   26    2                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   15                                                      
CONECT   36   18                                                      
CONECT   37   20                                                      
CONECT   38   22                                                      
CONECT   39   24                                                      
CONECT   40   25                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
