HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: IMS                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -0.017   0.784   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.337   2.291   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.807   3.321   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.272   2.845   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.122   4.273   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.074  -1.098   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.605  -0.937   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.332   1.195   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -1.006  -1.098   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -0.236  -2.432   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      -1.006  -3.766   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      -2.546  -3.766   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -3.316  -5.099   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.856  -5.099   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.316  -2.432   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -2.546  -1.098   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       1.304  -2.432   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.447   0.309   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.636  -2.082   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0       3.925   0.569   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0       2.592   1.339   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -1.802   2.767   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       6.578   0.290   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       5.493   2.727   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.247   3.632   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.408   5.164   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.815   5.790   0.000  0.00  0.00           C+0
HETATM   28 Cl   UNK     0       5.976   7.322   0.000  0.00  0.00          Cl+0
HETATM   29  C   UNK     0       7.061   4.885   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.900   3.353   0.000  0.00  0.00           C+0
HETATM   31  H   UNK     0      -2.001  -4.710   0.000  0.00  0.00           H+0
CONECT    1    2   18                                                       
CONECT    2    1    3   22                                                  
CONECT    3    2    4                                                       
CONECT    4    3   21                                                       
CONECT    5   22                                                            
CONECT    6    7   17   18                                                  
CONECT    7    6   19   20                                                  
CONECT    8   20   23   24                                                  
CONECT    9   10                                                            
CONECT   10    9   11   17                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   15   31                                             
CONECT   13   12   14                                                       
CONECT   14   13                                                            
CONECT   15   12   16                                                       
CONECT   16   15                                                            
CONECT   17    6   10                                                       
CONECT   18    1    6   21                                                  
CONECT   19    7                                                            
CONECT   20    7    8   21                                                  
CONECT   21    4   18   20                                                  
CONECT   22    2    5                                                       
CONECT   23    8                                                            
CONECT   24    8   25   30                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   24   29                                                       
CONECT   31   12                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   66    0
END