COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.963   0.306   0.875  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.038  -0.070  -0.472  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.801  -0.329  -1.235  1.00  0.00           C  
HETATM    4  C   UNL     1       1.628  -0.458  -1.392  1.00  0.00           C  
HETATM    5  C   UNL     1       2.822  -0.248  -0.497  1.00  0.00           C  
HETATM    6  C   UNL     1       3.519   0.969  -0.307  1.00  0.00           C  
HETATM    7  C   UNL     1       3.359   2.260  -0.826  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.345   0.426   0.985  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.100   0.547   1.591  1.00  0.00           C  
HETATM   10  C   UNL     1       3.005  -2.598   0.378  1.00  0.00           C  
HETATM   11  CA  UNL     1       3.420  -1.193   0.276  1.00  0.00           C  
HETATM   12  C   UNL     1       4.559   0.709   0.607  1.00  0.00           C  
HETATM   13  C   UNL     1       5.415   1.741   0.981  1.00  0.00           C  
HETATM   14  C   UNL     1       5.238   3.001   0.456  1.00  0.00           C  
HETATM   15  C   UNL     1       4.211   3.256  -0.444  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.469   0.336   0.372  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.440   0.044  -0.365  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.277  -0.202  -1.093  1.00  0.00           C  
HETATM   19  N   UNL     1       4.481  -0.620   0.952  1.00  0.00           N  
HETATM   20  N   UNL     1       0.400  -0.202  -0.635  1.00  0.00           N  
HETATM   21  N   UNL     1      -5.643   0.596   1.426  1.00  0.00           N  
HETATM   22  N   UNL     1      -5.763   0.001  -0.676  1.00  0.00           N  
HETATM   23  OXT UNL     1       3.680  -3.444   1.183  1.00  0.00           O  
HETATM   24  O   UNL     1       2.054  -2.999  -0.264  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.864  -0.656  -2.404  1.00  0.00           O  
HETATM   26  O   UNL     1      -7.819   0.396   0.411  1.00  0.00           O  
HETATM   27  H   UNL     1      -0.999   0.402   1.352  1.00  0.00           H  
HETATM   28  H   UNL     1       1.683   0.227  -2.238  1.00  0.00           H  
HETATM   29  H   UNL     1       1.622  -1.486  -1.756  1.00  0.00           H  
HETATM   30  H   UNL     1       2.564   2.467  -1.528  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.033   0.832   2.630  1.00  0.00           H  
HETATM   32  H   UNL     1       6.216   1.554   1.681  1.00  0.00           H  
HETATM   33  H   UNL     1       5.903   3.801   0.748  1.00  0.00           H  
HETATM   34  H   UNL     1       4.086   4.250  -0.846  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.336  -0.491  -2.132  1.00  0.00           H  
HETATM   36  H   UNL     1       5.073  -1.079   1.568  1.00  0.00           H  
HETATM   37  H   UNL     1       0.451   0.059   0.298  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.916   0.854   2.321  1.00  0.00           H  
HETATM   39  HXT UNL     1       3.370  -4.359   1.217  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.181   1.265   0.187  1.00  0.00           H  
CONECT    1    2    9    9   27                                       
CONECT    2    3   18   18    1                                       
CONECT    3   25   25   20    2                                       
CONECT    4    5   20   28   29                                       
CONECT    5    6    4   11   11                                       
CONECT    6    7    7   12    5                                       
CONECT    7   15    6    6   30                                       
CONECT    8   17   17    9   21                                       
CONECT    9    1    1    8   31                                       
CONECT   10   11   24   24   23                                       
CONECT   11    5    5   19   10                                       
CONECT   12   13   13    6   19                                       
CONECT   13   14   12   12   32                                       
CONECT   14   15   15   13   33                                       
CONECT   15   14   14    7   34                                       
CONECT   16   22   22   21   26                                       
CONECT   17   18   22    8    8                                       
CONECT   18    2    2   17   35                                       
CONECT   19   12   11   36                                            
CONECT   20    4    3   37                                            
CONECT   21    8   16   38                                            
CONECT   22   17   16   16                                            
CONECT   23   10   39                                                 
CONECT   24   10   10                                                 
CONECT   25    3    3                                                 
CONECT   26   16   40                                                 
CONECT   27    1                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   23                                                      
CONECT   40   26                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
