HEADER    PROTEIN                                 20-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-JUN-21         0                                  
HETATM    1  C   UNK     0       3.362   2.166   1.236  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.874   2.038   1.537  0.00  0.00           C+0
HETATM    3  O   UNK     0       1.299   1.209   0.523  0.00  0.00           O+0
HETATM    4  C   UNK     0       0.198   0.477   0.917  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.172   0.301   2.195  0.00  0.00           C+0
HETATM    6  N   UNK     0       0.569   0.830   3.218  0.00  0.00           N+0
HETATM    7  C   UNK     0       1.660   1.630   3.008  0.00  0.00           C+0
HETATM    8  O   UNK     0       2.350   2.030   3.942  0.00  0.00           O+0
HETATM    9  C   UNK     0      -1.333  -0.567   2.541  0.00  0.00           C+0
HETATM   10  O   UNK     0      -1.550  -0.887   3.704  0.00  0.00           O+0
HETATM   11  O   UNK     0      -2.108  -0.995   1.512  0.00  0.00           O+0
HETATM   12  C   UNK     0      -2.020  -0.323   0.244  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.578  -0.146  -0.198  0.00  0.00           C+0
HETATM   14  H   UNK     0       3.860   1.195   1.337  0.00  0.00           H+0
HETATM   15  H   UNK     0       3.521   2.500   0.205  0.00  0.00           H+0
HETATM   16  H   UNK     0       3.853   2.873   1.911  0.00  0.00           H+0
HETATM   17  H   UNK     0       1.412   3.029   1.430  0.00  0.00           H+0
HETATM   18  H   UNK     0       0.329   0.584   4.175  0.00  0.00           H+0
HETATM   19  H   UNK     0      -2.540   0.639   0.327  0.00  0.00           H+0
HETATM   20  H   UNK     0      -2.564  -0.927  -0.489  0.00  0.00           H+0
HETATM   21  H   UNK     0      -0.128  -1.116  -0.439  0.00  0.00           H+0
HETATM   22  H   UNK     0      -0.544   0.477  -1.098  0.00  0.00           H+0
CONECT    1    2   14   15   16                                             
CONECT    2    7    3    1   17                                             
CONECT    3    4    2                                                       
CONECT    4   13    3    5                                                  
CONECT    5    9    6    4                                                  
CONECT    6    5    7   18                                                  
CONECT    7    6    2    8                                                  
CONECT    8    7                                                            
CONECT    9   11    5   10                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   13   11   19   20                                             
CONECT   13   12    4   21   22                                             
CONECT   14    1                                                            
CONECT   15    1                                                            
CONECT   16    1                                                            
CONECT   17    2                                                            
CONECT   18    6                                                            
CONECT   19   12                                                            
CONECT   20   12                                                            
CONECT   21   13                                                            
CONECT   22   13                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END