HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: AL3                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      -4.319  -0.079   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -0.615  -3.159   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       0.719  -0.849   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.615  -1.619   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.052   1.461   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.386   0.691   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.793   1.318   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.823   0.173   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.053  -1.161   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -7.399  -0.079   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -5.859   1.461   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0      -5.859  -1.619   0.000  0.00  0.00           N+0
HETATM   13  S   UNK     0      -5.859  -0.079   0.000  0.00  0.00           S+0
HETATM   14  C   UNK     0      -3.413  -1.325   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.949  -0.849   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.949   0.691   0.000  0.00  0.00           C+0
HETATM   17  S   UNK     0      -3.413   1.167   0.000  0.00  0.00           S+0
HETATM   18  S   UNK     0      -0.615   1.461   0.000  0.00  0.00           S+0
HETATM   19  O   UNK     0      -1.605   2.641   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       0.375   2.641   0.000  0.00  0.00           O+0
HETATM   21  N   UNK     0       0.719   0.691   0.000  0.00  0.00           N+0
HETATM   22  S   UNK     0       3.547  -0.840   0.000  0.00  0.00           S+0
HETATM   23  H   UNK     0       0.329  -2.164   0.000  0.00  0.00           H+0
CONECT    1   13   14   17                                                  
CONECT    2    4                                                            
CONECT    3    4   21                                                       
CONECT    4    2    3   15   23                                             
CONECT    5    6   21                                                       
CONECT    6    5    7   22                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   22                                                       
CONECT   10   13                                                            
CONECT   11   13                                                            
CONECT   12   13                                                            
CONECT   13    1   10   11   12                                             
CONECT   14    1   15                                                       
CONECT   15    4   14   16                                                  
CONECT   16   15   17   18                                                  
CONECT   17    1   16                                                       
CONECT   18   16   19   20   21                                             
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21    3    5   18                                                  
CONECT   22    6    9                                                       
CONECT   23    4                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END