HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: SM3                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -2.776  -3.371   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.921  -4.402   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.254  -3.632   0.000  0.00  0.00           C+0
HETATM    4  S   UNK     0      -4.934  -2.125   0.000  0.00  0.00           S+0
HETATM    5  C   UNK     0      -3.403  -1.964   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.633  -0.631   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.093  -0.631   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -0.323  -1.964   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0      -0.323   0.703   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       1.217   0.703   0.000  0.00  0.00           C+0
HETATM   11  B   UNK     0       1.987  -0.631   0.000  0.00  0.00           B+0
HETATM   12  O   UNK     0       3.527  -0.631   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       1.217  -1.964   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       1.987   2.037   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.217   3.370   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.527   2.037   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.297   3.370   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.527   4.704   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.987   4.704   0.000  0.00  0.00           C+0
HETATM   20  H   UNK     0       0.672  -0.241   0.000  0.00  0.00           H+0
CONECT    1    2    5                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    1    4    6                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   14   20                                             
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   10   15   16                                                  
CONECT   15   14   19                                                       
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   15   18                                                       
CONECT   20   10                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   42    0
END