HEADER    PROTEIN                                 07-JUN-21   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Obacunone                                         
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-JUN-21         0                                  
HETATM    1  C   UNK     0       1.869   3.383   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.356   1.922   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.378   3.074   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.886   2.765   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.373   1.304   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.882   0.995   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.287   2.416   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.721   2.287   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.253   2.436   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.326   1.331   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      11.787   1.818   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      10.130  -0.197   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       8.814  -0.996   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.887  -2.101   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.975  -2.288   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.368  -0.466   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.346  -1.618   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.838  -1.309   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       3.816  -2.461   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       4.351   0.152   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.201  -1.381   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.842   0.461   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       3.329  -1.000   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       1.820  -0.691   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.312  -0.382   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -0.710  -1.534   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -0.175   1.079   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       0.847   2.231   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.360   3.692   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.108   4.157   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -1.119   5.697   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       0.342   6.184   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.256   4.945   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   22   28                                             
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   20                                                  
CONECT    6    5    7    8   16                                             
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   15   16                                             
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   13    6   17                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18    5   21   22                                             
CONECT   21   20                                                            
CONECT   22   20    2   23   24                                             
CONECT   23   22   24                                                       
CONECT   24   23   22   25                                                  
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27    2   29                                                  
CONECT   29   28   30   33                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   29                                                       
MASTER        0    0    0    0    0    0    0    0   33    0   76    0
END