HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 698                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0      -0.520   4.770   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -1.854   4.000   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -3.188   4.770   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -1.854   2.460   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.100   1.555   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.565   2.031   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      -5.041   3.495   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      -6.581   3.495   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -7.056   2.031   0.000  0.00  0.00           C+0
HETATM   10  S   UNK     0      -5.811   1.125   0.000  0.00  0.00           S+0
HETATM   11  C   UNK     0      -0.608   1.555   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.084   0.090   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.245  -1.441   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.001  -2.347   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.160  -3.878   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.408  -1.720   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.422  -0.230   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       1.668  -1.135   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       1.453   0.914   0.000  0.00  0.00           O+0
HETATM   20  N   UNK     0      -2.624   0.090   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      -3.529  -1.156   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -2.903  -2.563   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -5.061  -0.995   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -5.687   0.412   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -7.219   0.573   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -5.966  -2.241   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -7.498  -2.080   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -8.124  -0.673   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -9.656  -0.512   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0     -11.187  -0.351   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -9.495   1.020   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -9.816  -2.043   0.000  0.00  0.00           C+0
HETATM   33  H   UNK     0      -2.825   2.955   0.000  0.00  0.00           H+0
HETATM   34  H   UNK     0      -3.270   2.631   0.000  0.00  0.00           H+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2   33    5   11                                             
CONECT    5    4   34    6   20                                             
CONECT    6    5    7   10                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    6    9                                                       
CONECT   11    4   12                                                       
CONECT   12   11   13   17   20                                             
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   12   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20    5   12   21                                                  
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   26   24                                                  
CONECT   24   23   25                                                       
CONECT   25   24   28                                                       
CONECT   26   23   27                                                       
CONECT   27   26   28                                                       
CONECT   28   25   27   29                                                  
CONECT   29   28   30   31   32                                             
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32   29                                                            
CONECT   33    4                                                            
CONECT   34    5                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   72    0
END