HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: ECS                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       2.151   0.806   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.144  -0.371   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.183   1.348   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.699   1.620   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.692   0.442   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.169  -1.006   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.385  -1.951   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.659  -1.087   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.231   0.392   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.364   1.828   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.635   0.535   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.112  -0.913   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.105  -2.090   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.621  -1.819   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.613  -2.997   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.129  -2.726   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.653  -1.277   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.660  -0.100   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      10.176   1.608   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -1.404  -1.184   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -0.357   1.712   0.000  0.00  0.00           O+0
HETATM   22  H   UNK     0       3.957   0.733   0.000  0.00  0.00           H+0
HETATM   23  H   UNK     0       6.907  -2.065   0.000  0.00  0.00           H+0
HETATM   24  H   UNK     0       8.768   1.379   0.000  0.00  0.00           H+0
HETATM   25  H   UNK     0       6.355  -2.111   0.000  0.00  0.00           H+0
CONECT    1    2   11                                                       
CONECT    2    1   14   18                                                  
CONECT    3    4   18                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    9   10                                             
CONECT    6    5    7   17   23                                             
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    5    8   19   24                                             
CONECT   10    5                                                            
CONECT   11    1   12   21                                                  
CONECT   12   11   13   20                                                  
CONECT   13   12   14                                                       
CONECT   14    2   13   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17    6   16   18   25                                             
CONECT   18    2    3   17   22                                             
CONECT   19    9                                                            
CONECT   20   12                                                            
CONECT   21   11                                                            
CONECT   22   18                                                            
CONECT   23    6                                                            
CONECT   24    9                                                            
CONECT   25   17                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   56    0
END