HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: NN3                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -0.283   5.639   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.051   4.869   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.051   3.329   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.051  -1.291   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.283   7.179   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.283   1.019   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.297  -2.196   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.195  -2.196   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.281  -3.661   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.617   4.869   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -1.617   0.249   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -0.283   2.559   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.617   3.329   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       1.051   0.249   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       2.384   1.019   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.718   0.249   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.384   2.559   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.761  -1.721   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       4.906  -2.751   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       4.081  -0.214   0.000  0.00  0.00           O+0
HETATM   21  S   UNK     0       1.821  -3.661   0.000  0.00  0.00           S+0
HETATM   22  C   UNK     0      -0.624  -4.907   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.002  -6.314   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.903  -7.560   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -2.435  -7.399   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -3.061  -5.992   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.156  -4.746   0.000  0.00  0.00           C+0
HETATM   28  H   UNK     0       0.661   6.184   0.000  0.00  0.00           H+0
HETATM   29  H   UNK     0       0.661   2.014   0.000  0.00  0.00           H+0
CONECT    1    2    5   10   28                                             
CONECT    2    1    3                                                       
CONECT    3    2   12                                                       
CONECT    4    7    8   14                                                  
CONECT    5    1                                                            
CONECT    6   11   12   14                                                  
CONECT    7    4   18   21                                                  
CONECT    8    4    9                                                       
CONECT    9    8   21   22                                                  
CONECT   10    1   13                                                       
CONECT   11    6                                                            
CONECT   12    3    6   13   29                                             
CONECT   13   10   12                                                       
CONECT   14    4    6   15                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18    7   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21    7    9                                                       
CONECT   22    9   23   27                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   22   26                                                       
CONECT   28    1                                                            
CONECT   29   12                                                            
MASTER        0    0    0    0    0    0    0    0   29    0   62    0
END