COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.613   1.529   1.605  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.442   1.635   0.278  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.339   2.726  -0.232  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.378   0.395  -0.576  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.793  -0.063  -0.932  1.00  0.00           C  
HETATM    6  CA  UNL     1      -2.612  -0.235   0.349  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.041  -1.325   1.152  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.038  -0.567  -0.007  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.422  -1.712   0.040  1.00  0.00           O  
HETATM   10  OXT UNL     1      -4.882   0.410  -0.375  1.00  0.00           O  
HETATM   11  O   UNL     1       0.308  -0.649   0.132  1.00  0.00           O  
HETATM   12  C   UNL     1       1.445  -1.066  -0.626  1.00  0.00           C  
HETATM   13  C   UNL     1       2.591  -1.529   0.254  1.00  0.00           C  
HETATM   14  O   UNL     1       3.608  -2.109  -0.565  1.00  0.00           O  
HETATM   15  C   UNL     1       3.180  -0.350   1.032  1.00  0.00           C  
HETATM   16  O   UNL     1       2.190   0.191   1.910  1.00  0.00           O  
HETATM   17  C   UNL     1       3.617   0.720   0.024  1.00  0.00           C  
HETATM   18  O   UNL     1       2.473   1.146  -0.711  1.00  0.00           O  
HETATM   19  C   UNL     1       1.837   0.140  -1.502  1.00  0.00           C  
HETATM   20  C   UNL     1       0.420   0.687  -1.866  1.00  0.00           C  
HETATM   21  H   UNL     1      -0.647   2.352   2.111  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.268   0.684  -1.569  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.745  -1.014  -1.463  1.00  0.00           H  
HETATM   24  HA  UNL     1      -2.586   0.691   0.924  1.00  0.00           H  
HETATM   25  H1  UNL     1      -2.053  -2.195   0.641  1.00  0.00           H  
HETATM   26  H2  UNL     1      -1.107  -1.098   1.457  1.00  0.00           H  
HETATM   27  HXT UNL     1      -5.787   0.148  -0.594  1.00  0.00           H  
HETATM   28  H   UNL     1       1.151  -1.883  -1.285  1.00  0.00           H  
HETATM   29  H   UNL     1       2.225  -2.277   0.957  1.00  0.00           H  
HETATM   30  H   UNL     1       4.376  -2.429  -0.070  1.00  0.00           H  
HETATM   31  H   UNL     1       4.041  -0.685   1.611  1.00  0.00           H  
HETATM   32  H   UNL     1       2.498   0.943   2.435  1.00  0.00           H  
HETATM   33  H   UNL     1       4.048   1.569   0.555  1.00  0.00           H  
HETATM   34  H   UNL     1       4.355   0.299  -0.659  1.00  0.00           H  
HETATM   35  H   UNL     1       2.430  -0.145  -2.370  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.001   0.146  -2.714  1.00  0.00           H  
HETATM   37  H   UNL     1       0.454   1.758  -2.068  1.00  0.00           H  
CONECT    1    2   21                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   11   20                                       
CONECT    5    4    6   22   23                                       
CONECT    6    5    7    8   24                                       
CONECT    7    6   25   26                                            
CONECT    8    6    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   27                                                 
CONECT   11    4   12                                                 
CONECT   12   11   13   19   28                                       
CONECT   13   12   14   15   29                                       
CONECT   14   13   30                                                 
CONECT   15   13   16   17   31                                       
CONECT   16   15   32                                                 
CONECT   17   15   18   33   34                                       
CONECT   18   17   19                                                 
CONECT   19   12   18   20   35                                       
CONECT   20    4   19   36   37                                       
CONECT   21    1                                                      
CONECT   22    5                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26    7                                                      
CONECT   27   10                                                      
CONECT   28   12                                                      
CONECT   29   13                                                      
CONECT   30   14                                                      
CONECT   31   15                                                      
CONECT   32   16                                                      
CONECT   33   17                                                      
CONECT   34   17                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
CONECT   37   20                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
