HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 3MS                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -3.671   0.215   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.796   2.819   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.671  -2.276   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.128   2.819   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.796   4.359   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.206  -0.261   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.795   0.509   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.540  -7.191   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.129   8.209   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.206  -6.421   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       8.669   6.669   0.000  0.00  0.00           O+0
HETATM   12  S   UNK     0       7.129   6.669   0.000  0.00  0.00           S+0
HETATM   13  O   UNK     0       5.589   6.669   0.000  0.00  0.00           O+0
HETATM   14  N   UNK     0       7.129   5.129   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       4.462   5.129   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.462   2.049   0.000  0.00  0.00           C+0
HETATM   17  S   UNK     0       4.462   0.509   0.000  0.00  0.00           S+0
HETATM   18  O   UNK     0       5.979   0.777   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       4.989  -0.938   0.000  0.00  0.00           O+0
HETATM   20  N   UNK     0       3.128  -0.261   0.000  0.00  0.00           N+0
HETATM   21  N   UNK     0       1.795   2.049   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0       3.128   4.359   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.461  -0.261   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.873   0.509   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -0.873   2.049   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       0.461  -1.801   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       1.795  -2.571   0.000  0.00  0.00           O+0
HETATM   28  N   UNK     0      -0.873  -2.571   0.000  0.00  0.00           N+0
HETATM   29  N   UNK     0      -2.206  -1.801   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0      -4.576  -1.031   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -0.873  -4.111   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -2.206  -4.881   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.873  -7.191   0.000  0.00  0.00           C+0
CONECT    1    6   30                                                       
CONECT    2    5   16                                                       
CONECT    3   29   30                                                       
CONECT    4   16   21   22                                                  
CONECT    5    2   14   15                                                  
CONECT    6    1   24   29                                                  
CONECT    7   20   21   23                                                  
CONECT    8   10                                                            
CONECT    9   12                                                            
CONECT   10    8   32   33                                                  
CONECT   11   12                                                            
CONECT   12    9   11   13   14                                             
CONECT   13   12                                                            
CONECT   14    5   12                                                       
CONECT   15    5   22                                                       
CONECT   16    2    4   17                                                  
CONECT   17   16   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20    7   17                                                       
CONECT   21    4    7                                                       
CONECT   22    4   15                                                       
CONECT   23    7   24   26                                                  
CONECT   24    6   23   25                                                  
CONECT   25   24                                                            
CONECT   26   23   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   31                                                  
CONECT   29    3    6   28                                                  
CONECT   30    1    3                                                       
CONECT   31   28   32                                                       
CONECT   32   10   31                                                       
CONECT   33   10                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   72    0
END