HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: I47                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       3.175   2.058   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       4.420   1.153   0.000  0.00  0.00           N+0
HETATM    3  N   UNK     0       3.945  -0.312   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       2.405  -0.312   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.929   1.153   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.175   3.598   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.464   1.629   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.499  -1.558   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.508   4.368   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.508   5.908   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.175   6.678   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.841   5.908   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.841   4.368   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.680   0.598   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.145   1.074   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0      -2.465   2.581   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      -1.321   3.611   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       0.144   3.135   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       2.126  -2.964   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.221  -4.210   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0      -0.311  -4.049   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0      -0.937  -2.642   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.032  -1.397   0.000  0.00  0.00           C+0
HETATM   24 Cl   UNK     0       3.175   8.218   0.000  0.00  0.00          Cl+0
HETATM   25  C   UNK     0      -1.216  -5.295   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -0.590  -6.702   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -2.748  -5.134   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -3.653  -6.380   0.000  0.00  0.00           O+0
CONECT    1    2    5    6                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    8    5                                                  
CONECT    5    1    4    7                                                  
CONECT    6    1   13    9                                                  
CONECT    7    5   14   18                                                  
CONECT    8    4   19   23                                                  
CONECT    9    6   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   24                                                  
CONECT   12   11   13                                                       
CONECT   13    6   12                                                       
CONECT   14    7   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18    7   17                                                       
CONECT   19    8   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   25   22                                                  
CONECT   22   21   23                                                       
CONECT   23    8   22                                                       
CONECT   24   11                                                            
CONECT   25   21   27   26                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27                                                            
MASTER        0    0    0    0    0    0    0    0   28    0   62    0
END