HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: A74                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -7.979   4.921   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -7.209   6.255   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.669   6.255   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.899   4.921   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.669   3.588   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -7.209   3.588   0.000  0.00  0.00           C+0
HETATM    7  S   UNK     0      -4.899   2.254   0.000  0.00  0.00           S+0
HETATM    8  O   UNK     0      -6.232   1.484   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      -3.565   3.024   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0      -4.129   0.920   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      -2.589   0.920   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      -1.683   2.166   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      -0.219   1.690   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.115   2.460   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.449   1.690   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.449   0.150   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.115  -0.620   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.219   0.150   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -1.683  -0.326   0.000  0.00  0.00           O+0
HETATM   20 Cl   UNK     0      -4.899   7.589   0.000  0.00  0.00          Cl+0
HETATM   21 Cl   UNK     0      -7.979   2.254   0.000  0.00  0.00          Cl+0
HETATM   22  O   UNK     0       3.782   2.460   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       5.116   1.690   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.449  -4.470   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.115  -5.240   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0      -0.219  -4.470   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0      -0.219  -2.930   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.115  -2.160   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.449  -2.930   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       1.115  -6.780   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       2.449  -7.550   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   20                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    1    5   21                                                  
CONECT    7    5    8    9   10                                             
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    7   11                                                       
CONECT   11   10   12   19                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   22                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   28                                                  
CONECT   18   13   17   19                                                  
CONECT   19   11   18                                                       
CONECT   20    3                                                            
CONECT   21    6                                                            
CONECT   22   15   23                                                       
CONECT   23   22                                                            
CONECT   24   25   29                                                       
CONECT   25   24   26   30                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   17   27   29                                                  
CONECT   29   24   28                                                       
CONECT   30   25   31                                                       
CONECT   31   30                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   68    0
END