COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.743   2.082  -0.584  1.00  0.00           C  
HETATM    2  C   UNL     1       3.761   0.952   0.140  1.00  0.00           C  
HETATM    3  C   UNL     1       5.209   0.587  -0.068  1.00  0.00           C  
HETATM    4  C   UNL     1       5.624   0.940  -1.497  1.00  0.00           C  
HETATM    5  CA  UNL     1      -2.927   1.182   0.307  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.610   0.832  -0.391  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.841  -0.186   0.454  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.597  -1.539   0.513  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.457  -2.549   0.770  1.00  0.00           C  
HETATM   10  C   UNL     1       1.438   0.365   0.062  1.00  0.00           C  
HETATM   11  C   UNL     1       1.104   1.632   0.524  1.00  0.00           C  
HETATM   12  C   UNL     1       2.099   2.553   0.786  1.00  0.00           C  
HETATM   13  C   UNL     1       3.426   2.214   0.595  1.00  0.00           C  
HETATM   14  C   UNL     1       2.772   0.028  -0.130  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.688  -3.806  -0.029  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.642   1.871   1.572  1.00  0.00           N  
HETATM   17  N   UNL     1       0.783  -1.883   0.324  1.00  0.00           N  
HETATM   18  N   UNL     1       0.434  -0.568  -0.209  1.00  0.00           N  
HETATM   19  O   UNL     1      -1.552  -4.733   0.413  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.094  -3.979  -1.067  1.00  0.00           O  
HETATM   21  OXT UNL     1      -4.456   1.560  -1.594  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.760   3.274  -0.385  1.00  0.00           O  
HETATM   23  H   UNL     1       5.828   1.140   0.638  1.00  0.00           H  
HETATM   24  H   UNL     1       5.341  -0.483   0.095  1.00  0.00           H  
HETATM   25  H   UNL     1       5.492   2.010  -1.660  1.00  0.00           H  
HETATM   26  H   UNL     1       6.671   0.676  -1.647  1.00  0.00           H  
HETATM   27  H   UNL     1       5.005   0.386  -2.203  1.00  0.00           H  
HETATM   28  HA  UNL     1      -3.485   0.268   0.509  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.821   0.405  -1.371  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.010   1.734  -0.508  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.660   0.201   1.456  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.313  -1.546   1.335  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.093  -1.747  -0.435  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.397  -2.786   1.832  1.00  0.00           H  
HETATM   35  H   UNL     1       0.068   1.897   0.674  1.00  0.00           H  
HETATM   36  H   UNL     1       1.841   3.540   1.141  1.00  0.00           H  
HETATM   37  H   UNL     1       4.202   2.936   0.801  1.00  0.00           H  
HETATM   38  H   UNL     1       3.034  -0.956  -0.489  1.00  0.00           H  
HETATM   39  H1  UNL     1      -2.193   2.760   1.407  1.00  0.00           H  
HETATM   40  H2  UNL     1      -3.482   1.987   2.118  1.00  0.00           H  
HETATM   41  H   UNL     1       1.263  -2.439  -0.369  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.666  -5.523  -0.134  1.00  0.00           H  
HETATM   43  HXT UNL     1      -4.964   2.178  -2.138  1.00  0.00           H  
CONECT    1    5   22   22   21                                       
CONECT    2   13    3   14   14                                       
CONECT    3    4    2   23   24                                       
CONECT    4    3   25   26   27                                       
CONECT    5   16    6    1   28                                       
CONECT    6    7    5   29   30                                       
CONECT    7   18    6    8   31                                       
CONECT    8    7    9   32   33                                       
CONECT    9   17    8   15   34                                       
CONECT   10   11   11   14   18                                       
CONECT   11   12   10   10   35                                       
CONECT   12   13   13   11   36                                       
CONECT   13   12   12    2   37                                       
CONECT   14    2    2   10   38                                       
CONECT   15    9   20   20   19                                       
CONECT   16    5   39   40                                            
CONECT   17   18    9   41                                            
CONECT   18   10    7   17                                            
CONECT   19   15   42                                                 
CONECT   20   15   15                                                 
CONECT   21    1   43                                                 
CONECT   22    1    1                                                 
CONECT   23    3                                                      
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
