HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: NN1                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -1.332  -6.800   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.846   0.070   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.145  -7.233   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.446  -7.863   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.083  -9.359   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.605  -9.793   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.283  -0.617   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.122   2.253   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.656   0.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.029  -0.617   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.868   0.858   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.495   0.160   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.481  -5.354   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.582  -4.240   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.645  -3.126   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -1.696  -5.303   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       0.532  -3.177   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       2.010  -3.610   0.000  0.00  0.00           O+0
HETATM   19  N   UNK     0       0.169  -1.680   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0       2.122   0.858   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.495   2.951   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.656   1.475   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.868   2.253   0.000  0.00  0.00           C+0
HETATM   24  S   UNK     0       6.357   0.464   0.000  0.00  0.00           S+0
HETATM   25  O   UNK     0       5.963  -1.025   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       6.751   1.953   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       0.509  -8.729   0.000  0.00  0.00           C+0
HETATM   28 Cl   UNK     0       1.260  -6.170   0.000  0.00  0.00          Cl+0
HETATM   29  F   UNK     0      -0.242 -11.289   0.000  0.00  0.00           F+0
HETATM   30  H   UNK     0       0.799  -1.594   0.000  0.00  0.00           H+0
HETATM   31  H   UNK     0       1.955  -0.755   0.000  0.00  0.00           H+0
HETATM   32  H   UNK     0       1.068   1.137   0.000  0.00  0.00           H+0
HETATM   33  H   UNK     0       3.495   4.041   0.000  0.00  0.00           H+0
CONECT    1   16    3    4                                                  
CONECT    2   24                                                            
CONECT    3    1   28   27                                                  
CONECT    4    1    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5   27   29                                                  
CONECT    7    9   19   20   30                                             
CONECT    8   21   20                                                       
CONECT    9    7   10   31   22                                             
CONECT   10    9   11                                                       
CONECT   11   10   24   12   23                                             
CONECT   12   20   11                                                       
CONECT   13   14                                                            
CONECT   14   13   16   17   15                                             
CONECT   15   14                                                            
CONECT   16    1   14                                                       
CONECT   17   14   19   18                                                  
CONECT   18   17                                                            
CONECT   19    7   17                                                       
CONECT   20    7   12   32    8                                             
CONECT   21    8   23   22   33                                             
CONECT   22   21    9                                                       
CONECT   23   21   11                                                       
CONECT   24    2   11   26   25                                             
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27    3    6                                                       
CONECT   28    3                                                            
CONECT   29    6                                                            
CONECT   30    7                                                            
CONECT   31    9                                                            
CONECT   32   20                                                            
CONECT   33   21                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   72    0
END