HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 894                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1 Cl   UNK     0     -10.875  -5.998   0.000  0.00  0.00          Cl+0
HETATM    2  C   UNK     0      -9.630  -6.903   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -9.630  -8.443   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -8.165  -8.919   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -7.260  -7.673   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.720  -7.673   0.000  0.00  0.00           C+0
HETATM    7  S   UNK     0      -3.410  -6.340   0.000  0.00  0.00           S+0
HETATM    8  O   UNK     0      -3.410  -7.880   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      -3.410  -4.800   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0      -1.870  -6.340   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      -1.100  -5.006   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.726  -3.599   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.582  -2.569   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.432  -4.845   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       1.462  -5.990   0.000  0.00  0.00           O+0
HETATM   16  N   UNK     0       0.752  -3.339   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0       2.159  -2.712   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.405  -3.618   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.320  -1.181   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       1.074  -0.276   0.000  0.00  0.00           O+0
HETATM   21  N   UNK     0       3.727  -0.555   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0       3.888   0.977   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.295   1.603   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       6.540   0.698   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       6.380  -0.833   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.973  -1.460   0.000  0.00  0.00           C+0
HETATM   27  S   UNK     0      -8.165  -6.428   0.000  0.00  0.00           S+0
HETATM   28  C   UNK     0      -4.950  -6.340   0.000  0.00  0.00           C+0
HETATM   29  H   UNK     0      -2.188  -4.949   0.000  0.00  0.00           H+0
HETATM   30  H   UNK     0       2.045  -3.796   0.000  0.00  0.00           H+0
CONECT    1    2                                                            
CONECT    2    1   27    3                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   27                                                  
CONECT    6    5   28                                                       
CONECT    7    8    9   10   28                                             
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    7   11                                                       
CONECT   11   10   12   14   29                                             
CONECT   12   11   13                                                       
CONECT   13   12   16                                                       
CONECT   14   11   15   16                                                  
CONECT   15   14                                                            
CONECT   16   13   14   17                                                  
CONECT   17   16   18   19   30                                             
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   26                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   21   25                                                       
CONECT   27    2    5                                                       
CONECT   28    6    7                                                       
CONECT   29   11                                                            
CONECT   30   17                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   64    0
END