HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: SN2                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0       0.973  -0.125   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.360   0.645   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.360   2.185   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.973   2.955   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.307   2.185   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.307   0.645   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.360  -2.435   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.307  -2.435   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.360  -3.975   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.307  -3.975   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.694   2.955   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.307   5.265   0.000  0.00  0.00           O-1
HETATM   13  O   UNK     0       4.974   0.645   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -0.360   5.265   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      -1.694   4.495   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       3.641  -1.665   0.000  0.00  0.00           O-1
HETATM   17  N   UNK     0       0.973   4.495   0.000  0.00  0.00           N+1
HETATM   18  N   UNK     0       3.641  -0.125   0.000  0.00  0.00           N+1
HETATM   19  N   UNK     0       0.973  -1.665   0.000  0.00  0.00           N+0
HETATM   20  N   UNK     0      -3.028   2.185   0.000  0.00  0.00           N+0
HETATM   21 Cl   UNK     0       3.641  -4.745   0.000  0.00  0.00          Cl+0
HETATM   22 Cl   UNK     0      -1.694  -4.745   0.000  0.00  0.00          Cl+0
CONECT    1    2    6   19                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   11                                                  
CONECT    4    3    5   17                                                  
CONECT    5    4    6                                                       
CONECT    6    1    5   18                                                  
CONECT    7    9   19                                                       
CONECT    8   10   19                                                       
CONECT    9    7   22                                                       
CONECT   10    8   21                                                       
CONECT   11    3   15   20                                                  
CONECT   12   17                                                            
CONECT   13   18                                                            
CONECT   14   17                                                            
CONECT   15   11                                                            
CONECT   16   18                                                            
CONECT   17    4   12   14                                                  
CONECT   18    6   13   16                                                  
CONECT   19    1    7    8                                                  
CONECT   20   11                                                            
CONECT   21   10                                                            
CONECT   22    9                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   44    0
END