HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 616                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0       1.222   4.187   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       1.222   2.647   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.556   1.877   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.890   2.647   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.890   4.187   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.223   1.877   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.556   0.337   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.802  -0.568   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       5.267  -0.093   0.000  0.00  0.00           N+0
HETATM   10  S   UNK     0       6.411  -1.123   0.000  0.00  0.00           S+0
HETATM   11  O   UNK     0       7.555  -2.154   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       7.441   0.021   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       5.380  -2.267   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.326  -2.033   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.786  -2.033   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0       1.310  -0.568   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      -0.155  -0.093   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -0.475   1.414   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -1.299  -1.123   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.764  -0.647   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -3.908  -1.678   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0      -5.373  -1.202   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0      -6.517  -2.232   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -7.982  -1.756   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -8.302  -0.250   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -7.158   0.780   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -5.693   0.305   0.000  0.00  0.00           C+0
HETATM   28  H   UNK     0       2.183   2.901   0.000  0.00  0.00           H+0
HETATM   29  H   UNK     0       3.527   0.832   0.000  0.00  0.00           H+0
HETATM   30  H   UNK     0       3.972   0.508   0.000  0.00  0.00           H+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    7   28                                             
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4                                                            
CONECT    7    3    8   16   29                                             
CONECT    8    7    9   14   30                                             
CONECT    9    8   10                                                       
CONECT   10    9   11   12   13                                             
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13   10                                                            
CONECT   14    8   15                                                       
CONECT   15   14   16                                                       
CONECT   16    7   15   17                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   27                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   22   26                                                       
CONECT   28    3                                                            
CONECT   29    7                                                            
CONECT   30    8                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   62    0
END