COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.134   0.653   0.375  1.00  0.00           N  
HETATM    2  O   UNL     1       7.076  -0.796  -0.851  1.00  0.00           O  
HETATM    3  C   UNL     1      -0.888   0.788  -0.122  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.713   1.379  -1.166  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.276   1.217  -0.350  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.447   2.688   0.033  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.545   0.444   0.018  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.329  -1.047  -0.249  1.00  0.00           C  
HETATM    9  F   UNL     1      -5.489  -1.753   0.087  1.00  0.00           F  
HETATM   10  F   UNL     1      -4.040  -1.241  -1.604  1.00  0.00           F  
HETATM   11  F   UNL     1      -3.260  -1.509   0.526  1.00  0.00           F  
HETATM   12  C   UNL     1       0.286   0.202   0.619  1.00  0.00           C  
HETATM   13  C   UNL     1       1.574   0.494  -0.154  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.839   0.643   1.402  1.00  0.00           O  
HETATM   15  C   UNL     1       4.054   0.191  -0.174  1.00  0.00           C  
HETATM   16  CA  UNL     1       5.246  -0.403   0.579  1.00  0.00           C  
HETATM   17  C   UNL     1       2.766  -0.101   0.599  1.00  0.00           C  
HETATM   18  OXT UNL     1       7.050   1.207   0.082  1.00  0.00           O  
HETATM   19  C   UNL     1       6.524  -0.012  -0.116  1.00  0.00           C  
HETATM   20  N   UNL     1       5.129  -1.868   0.603  1.00  0.00           N  
HETATM   21  H   UNL     1      -2.275   0.180   1.209  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.101   1.138  -1.422  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.622   2.767   1.106  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.543   3.239  -0.229  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.297   3.108  -0.506  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.377   0.804  -0.586  1.00  0.00           H  
HETATM   27  H   UNL     1       0.348   0.650   1.611  1.00  0.00           H  
HETATM   28  H   UNL     1       0.155  -0.876   0.714  1.00  0.00           H  
HETATM   29  H   UNL     1       1.511   0.046  -1.146  1.00  0.00           H  
HETATM   30  H   UNL     1       1.704   1.571  -0.249  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.140   0.344   2.000  1.00  0.00           H  
HETATM   32  H   UNL     1       4.184   1.269  -0.269  1.00  0.00           H  
HETATM   33  H   UNL     1       3.991  -0.257  -1.166  1.00  0.00           H  
HETATM   34  HA  UNL     1       5.256  -0.023   1.601  1.00  0.00           H  
HETATM   35  H   UNL     1       2.828   0.347   1.591  1.00  0.00           H  
HETATM   36  H   UNL     1       2.635  -1.179   0.694  1.00  0.00           H  
HETATM   37  HXT UNL     1       7.871   1.412  -0.385  1.00  0.00           H  
HETATM   38  H1  UNL     1       5.117  -2.245  -0.333  1.00  0.00           H  
HETATM   39  H2  UNL     1       5.870  -2.280   1.150  1.00  0.00           H  
CONECT    1    3    5   21                                            
CONECT    2   19   19                                                 
CONECT    3    1    4    4   12                                       
CONECT    4    3    3                                                 
CONECT    5    1    7    6   22                                       
CONECT    6    5   23   24   25                                       
CONECT    7    5    8   14   26                                       
CONECT    8    7   10    9   11                                       
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    8                                                      
CONECT   12    3   13   27   28                                       
CONECT   13   12   17   29   30                                       
CONECT   14    7   31                                                 
CONECT   15   17   16   32   33                                       
CONECT   16   15   19   20   34                                       
CONECT   17   13   15   35   36                                       
CONECT   18   19   37                                                 
CONECT   19    2    2   16   18                                       
CONECT   20   16   38   39                                            
CONECT   21    1                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24    6                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27   12                                                      
CONECT   28   12                                                      
CONECT   29   13                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
