HEADER    PROTEIN                                 24-SEP-20   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: methyl botryolate                                 
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-SEP-20         0                                  
HETATM    1  C   UNK     0      -0.099   5.289   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.419   3.783   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.884   3.307   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.204   1.800   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.060   0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.405   1.246   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.725   2.752   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.190   3.228   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.510   4.734   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       3.334   2.198   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       4.799   2.674   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.310   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.405  -1.246   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.060  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.380  -2.276   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.591  -0.609   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.572   0.883   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.454  -1.030   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       2.134  -2.537   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       1.861   1.747   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -3.669   1.325   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -4.813   2.355   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -4.493   3.861   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -6.278   1.879   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   21                                                  
CONECT    5    4    6   14                                                  
CONECT    6    5    7   12   20                                             
CONECT    7    6    8    2                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10                                                            
CONECT   12    6   13   17   18                                             
CONECT   13   12   14                                                       
CONECT   14   13   15   16    5                                             
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   12                                                            
CONECT   18   12   19                                                       
CONECT   19   18                                                            
CONECT   20    6                                                            
CONECT   21    4   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END