HEADER    PROTEIN                                 07-JUN-21   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Cuminaldehyde metabolite 4                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-JUN-21         0                                  
HETATM    1  C   UNK     0       0.783  -5.064   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.550  -5.834   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.783  -3.524   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.884  -5.064   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.550  -2.754   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.884  -3.524   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.218  -5.834   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.552  -5.064   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.218  -7.374   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.117  -2.754   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       3.451  -3.524   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       2.117  -1.214   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      -4.552  -8.144   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -1.885  -8.144   0.000  0.00  0.00           O+0
CONECT    1    2    3                                                       
CONECT    2    1    4                                                       
CONECT    3    1    5   10                                                  
CONECT    4    2    6    7                                                  
CONECT    5    3    6                                                       
CONECT    6    4    5                                                       
CONECT    7    4    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   13   14                                                  
CONECT   10    3   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13    9                                                            
CONECT   14    9                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   28    0
END