HEADER    INHIBITOR                               16-JUL-97   1AO2              
TITLE     COBALT(III)-DEGLYCOPEPLEOMYCIN DETERMINED BY NMR STUDIES              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: AGLYCON OF PEPLOMYCIN;                                     
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES                                                       
KEYWDS    ANTICANCER DRUGS, DEGLYCOSYLATED PEPLEOMYCIN, PEPLOMYCIN, BLEOMYCIN,  
KEYWDS   2 DNA, TWO-DIMENSIONAL NMR, SOLUTION STRUCTURES, INHIBITOR             
EXPDTA    SOLUTION NMR                                                          
AUTHOR    J.CACERES-CORTES,H.SUGIYAMA,K.IKUDOME,I.SAITO,A.H.-J.WANG             
REVDAT   7   13-MAR-24 1AO2    1       COMPND SOURCE                            
REVDAT   6   27-DEC-23 1AO2    1       REMARK                                   
REVDAT   5   23-MAR-22 1AO2    1       REMARK LINK                              
REVDAT   4   24-FEB-09 1AO2    1       VERSN                                    
REVDAT   3   01-APR-03 1AO2    1       JRNL                                     
REVDAT   2   23-AUG-99 1AO2    1       COMPND                                   
REVDAT   1   30-JUL-99 1AO2    0                                                
JRNL        AUTH   J.CACERES-CORTES,H.SUGIYAMA,K.IKUDOME,I.SAITO,A.H.WANG       
JRNL        TITL   STRUCTURES OF COBALT(III)-PEPLEOMYCIN AND                    
JRNL        TITL 2 COBALT(III)-DEGLYCOPEPLEOMYCIN (GREEN FORMS) DETERMINED BY   
JRNL        TITL 3 NMR STUDIES.                                                 
JRNL        REF    EUR.J.BIOCHEM.                V. 244   818 1997              
JRNL        REFN                   ISSN 0014-2956                               
JRNL        PMID   9108252                                                      
JRNL        DOI    10.1111/J.1432-1033.1997.00818.X                             
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR 3.1, SPEDREF                                  
REMARK   3   AUTHORS     : A.T.BRUNGER (X-PLOR)                                 
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN THE    
REMARK   3  JRNL CITATION                                                       
REMARK   4                                                                      
REMARK   4 1AO2 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-JUL-99.                  
REMARK 100 THE DEPOSITION ID IS D_1000001214.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 275                                
REMARK 210  PH                             : 6.4                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 50MM SODIUM PHOSPHATE, 0.15 M      
REMARK 210                                   NACL                               
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY; TOCSY; DQF-COSY          
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ                            
REMARK 210  SPECTROMETER MODEL             : VXR 500                            
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NULL                               
REMARK 210   METHOD USED                   : NULL                               
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 1                                  
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : MINIMAL ENERGY                     
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: METHOD USED TO DETERMINE THE STRUCTURE : NOE-RMD             
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             3CO A   2  CO                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 PMY A   1   NB                                                     
REMARK 620 2 PMY A   1   NC   87.7                                              
REMARK 620 3 PMY A   1   NG   90.3  85.4                                        
REMARK 620 4 PMY A   1   NH   87.7 169.0  84.7                                  
REMARK 620 5 PMY A   1   NJ   82.1  91.0 171.7  98.2                            
REMARK 620 6 PEO A   3   O1  176.5  90.3  86.7  93.8 100.8                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PMY A 1                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 3CO A 2                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PEO A 3                   
HET    PMY  A   1     143                                                       
HET    3CO  A   2       1                                                       
HET    PEO  A   3       3                                                       
HETNAM     PMY AGLYCON OF PEPLOMYCIN                                            
HETNAM     3CO COBALT (III) ION                                                 
HETNAM     PEO HYDROGEN PEROXIDE                                                
HETSYN     PMY AGLYCON OF (S)-N1-[3-[(1-PHENYLETHYL)AMINO]-                     
HETSYN   2 PMY  PROPYL]BLEOMYCINAMIDE                                           
FORMUL   1  PMY    C48 H67 N17 O10 S2                                           
FORMUL   2  3CO    CO 3+                                                        
FORMUL   3  PEO    H2 O2                                                        
LINK         NB  PMY A   1                CO   3CO A   2     1555   1555  2.00  
LINK         NC  PMY A   1                CO   3CO A   2     1555   1555  2.00  
LINK         NG  PMY A   1                CO   3CO A   2     1555   1555  1.87  
LINK         NH  PMY A   1                CO   3CO A   2     1555   1555  1.99  
LINK         NJ  PMY A   1                CO   3CO A   2     1555   1555  2.07  
LINK        CO   3CO A   2                 O1  PEO A   3     1555   1555  1.99  
SITE     1 AC1  2 3CO A   2  PEO A   3                                          
SITE     1 AC2  2 PMY A   1  PEO A   3                                          
SITE     1 AC3  2 PMY A   1  3CO A   2                                          
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
HETATM    1  NA  PMY A   1       9.787 -11.718  25.336  1.00  0.00           N  
HETATM    2  C1  PMY A   1      11.082 -11.541  25.037  1.00  0.00           C  
HETATM    3  O1  PMY A   1      11.969 -11.707  25.867  1.00  0.00           O  
HETATM    4  C2  PMY A   1      11.472 -11.125  23.613  1.00  0.00           C  
HETATM    5  NB  PMY A   1      12.867 -10.624  23.515  1.00  0.00           N  
HETATM    6  C3  PMY A   1      11.531 -12.406  22.752  1.00  0.00           C  
HETATM    7  NC  PMY A   1      11.907 -12.054  21.349  1.00  0.00           N  
HETATM    8  ND  PMY A   1       8.048  -9.490  19.613  1.00  0.00           N  
HETATM    9  C4  PMY A   1       8.912 -10.456  19.299  1.00  0.00           C  
HETATM   10  O4  PMY A   1       9.243 -10.660  18.134  1.00  0.00           O  
HETATM   11  C5  PMY A   1       9.501 -11.320  20.418  1.00  0.00           C  
HETATM   12  C6  PMY A   1      11.068 -11.201  20.408  1.00  0.00           C  
HETATM   13  C7  PMY A   1      11.606  -9.780  20.355  1.00  0.00           C  
HETATM   14  NE  PMY A   1      11.105  -8.714  19.661  1.00  0.00           N  
HETATM   15  C8  PMY A   1      11.788  -7.516  19.622  1.00  0.00           C  
HETATM   16  NG  PMY A   1      12.762  -9.604  20.974  1.00  0.00           N  
HETATM   17  C10 PMY A   1      13.467  -8.473  20.962  1.00  0.00           C  
HETATM   18  C9  PMY A   1      12.999  -7.392  20.267  1.00  0.00           C  
HETATM   19  NF  PMY A   1      11.206  -6.537  18.910  1.00  0.00           N  
HETATM   20  CA  PMY A   1      13.817  -6.118  20.226  1.00  0.00           C  
HETATM   21  C12 PMY A   1      14.767  -8.596  21.632  1.00  0.00           C  
HETATM   22  O12 PMY A   1      15.522  -7.635  21.748  1.00  0.00           O  
HETATM   23  NH  PMY A   1      15.093  -9.812  22.100  1.00  0.00           N  
HETATM   24  C13 PMY A   1      16.360 -10.099  22.792  1.00  0.00           C  
HETATM   25  C14 PMY A   1      16.113 -11.226  23.818  1.00  0.00           C  
HETATM   26  OH1 PMY A   1      15.187 -10.604  24.698  1.00  0.00           O  
HETATM   27  C27 PMY A   1      15.530 -12.550  23.379  1.00  0.00           C  
HETATM   28  NJ  PMY A   1      14.352 -12.709  22.765  1.00  0.00           N  
HETATM   29  C28 PMY A   1      16.081 -13.774  23.499  1.00  0.00           C  
HETATM   30  C29 PMY A   1      14.182 -14.021  22.531  1.00  0.00           C  
HETATM   31  NI  PMY A   1      15.252 -14.677  22.965  1.00  0.00           N  
HETATM   32  C30 PMY A   1      17.501 -10.535  21.868  1.00  0.00           C  
HETATM   33  O30 PMY A   1      18.603 -10.780  22.354  1.00  0.00           O  
HETATM   34  NK  PMY A   1      17.245 -10.717  20.574  1.00  0.00           N  
HETATM   35  C31 PMY A   1      18.138 -11.213  19.550  1.00  0.00           C  
HETATM   36  CB  PMY A   1      18.594  -9.977  18.704  1.00  0.00           C  
HETATM   37  C33 PMY A   1      17.271 -12.204  18.694  1.00  0.00           C  
HETATM   38  OH2 PMY A   1      18.026 -12.594  17.579  1.00  0.00           O  
HETATM   39  C34 PMY A   1      16.886 -13.502  19.477  1.00  0.00           C  
HETATM   40  CC  PMY A   1      18.161 -14.440  19.572  1.00  0.00           C  
HETATM   41  C36 PMY A   1      15.717 -14.355  18.900  1.00  0.00           C  
HETATM   42  O36 PMY A   1      15.767 -15.577  19.038  1.00  0.00           O  
HETATM   43  NL  PMY A   1      14.664 -13.795  18.281  1.00  0.00           N  
HETATM   44  C37 PMY A   1      13.496 -14.514  17.732  1.00  0.00           C  
HETATM   45  C38 PMY A   1      12.538 -15.137  18.804  1.00  0.00           C  
HETATM   46  OH3 PMY A   1      12.287 -14.232  19.891  1.00  0.00           O  
HETATM   47  CD  PMY A   1      12.989 -16.507  19.423  1.00  0.00           C  
HETATM   48  C40 PMY A   1      12.627 -13.663  16.786  1.00  0.00           C  
HETATM   49  O40 PMY A   1      12.062 -14.262  15.871  1.00  0.00           O  
HETATM   50  NM  PMY A   1      12.474 -12.333  16.936  1.00  0.00           N  
HETATM   51  C41 PMY A   1      11.661 -11.539  16.005  1.00  0.00           C  
HETATM   52  C42 PMY A   1      12.515 -11.235  14.769  1.00  0.00           C  
HETATM   53  C43 PMY A   1      13.577 -10.246  15.133  1.00  0.00           C  
HETATM   54  S43 PMY A   1      15.327 -10.606  15.236  1.00  0.00           S  
HETATM   55  C44 PMY A   1      15.545  -8.864  15.682  1.00  0.00           C  
HETATM   56  NN  PMY A   1      13.296  -8.970  15.418  1.00  0.00           N  
HETATM   57  C45 PMY A   1      14.360  -8.201  15.709  1.00  0.00           C  
HETATM   58  C46 PMY A   1      14.215  -6.876  15.940  1.00  0.00           C  
HETATM   59  S46 PMY A   1      12.621  -6.039  15.913  1.00  0.00           S  
HETATM   60  C47 PMY A   1      13.502  -4.492  16.244  1.00  0.00           C  
HETATM   61  NO  PMY A   1      15.213  -6.010  16.169  1.00  0.00           N  
HETATM   62  C48 PMY A   1      14.836  -4.720  16.323  1.00  0.00           C  
HETATM   63  C49 PMY A   1      15.868  -3.685  16.534  1.00  0.00           C  
HETATM   64  O49 PMY A   1      17.034  -4.073  16.573  1.00  0.00           O  
HETATM   65  NP  PMY A   1      15.596  -2.373  16.678  1.00  0.00           N  
HETATM   66  C51 PMY A   1      16.658  -1.368  16.830  1.00  0.00           C  
HETATM   67  C52 PMY A   1      16.914  -0.949  18.339  1.00  0.00           C  
HETATM   68  C53 PMY A   1      16.860  -2.129  19.429  1.00  0.00           C  
HETATM   69  NQ  PMY A   1      17.832  -3.244  19.144  1.00  0.00           N  
HETATM   70  CE  PMY A   1      19.307  -4.654  20.631  1.00  0.00           C  
HETATM   71  C54 PMY A   1      19.254  -3.484  19.587  1.00  0.00           C  
HETATM   72  C56 PMY A   1      20.126  -3.783  18.327  1.00  0.00           C  
HETATM   73  C57 PMY A   1      19.712  -4.751  17.425  1.00  0.00           C  
HETATM   74  C58 PMY A   1      20.442  -5.024  16.297  1.00  0.00           C  
HETATM   75  C59 PMY A   1      21.602  -4.353  16.038  1.00  0.00           C  
HETATM   76  C60 PMY A   1      22.027  -3.395  16.915  1.00  0.00           C  
HETATM   77  C61 PMY A   1      21.304  -3.104  18.047  1.00  0.00           C  
HETATM   78  HA1 PMY A   1       9.480 -11.977  26.276  1.00  0.00           H  
HETATM   79  HA2 PMY A   1       9.088 -11.583  24.619  1.00  0.00           H  
HETATM   80  H2  PMY A   1      10.822 -10.289  23.296  1.00  0.00           H  
HETATM   81  HB1 PMY A   1      13.441 -11.115  24.202  1.00  0.00           H  
HETATM   82  HB2 PMY A   1      12.864  -9.636  23.738  1.00  0.00           H  
HETATM   83  H3E PMY A   1      10.743 -13.171  22.818  1.00  0.00           H  
HETATM   84  H3X PMY A   1      12.355 -12.942  23.236  1.00  0.00           H  
HETATM   85  HNC PMY A   1      12.043 -12.936  20.846  1.00  0.00           H  
HETATM   86  HD1 PMY A   1       7.632  -9.362  20.527  1.00  0.00           H  
HETATM   87  HD2 PMY A   1       7.710  -8.909  18.859  1.00  0.00           H  
HETATM   88  H5E PMY A   1       9.128 -12.323  20.078  1.00  0.00           H  
HETATM   89  H5X PMY A   1       9.082 -10.930  21.377  1.00  0.00           H  
HETATM   90  H6  PMY A   1      11.374 -11.647  19.448  1.00  0.00           H  
HETATM   91  HF1 PMY A   1      11.622  -5.625  18.822  1.00  0.00           H  
HETATM   92  HF2 PMY A   1      10.320  -6.710  18.455  1.00  0.00           H  
HETATM   93  HAA PMY A   1      14.814  -6.362  19.848  1.00  0.00           H  
HETATM   94  HAB PMY A   1      13.931  -5.744  21.244  1.00  0.00           H  
HETATM   95  HAC PMY A   1      13.409  -5.336  19.593  1.00  0.00           H  
HETATM   96  H13 PMY A   1      16.685  -9.174  23.280  1.00  0.00           H  
HETATM   97  H14 PMY A   1      17.062 -11.421  24.332  1.00  0.00           H  
HETATM   98  HO1 PMY A   1      15.550  -9.740  24.930  1.00  0.00           H  
HETATM   99  H28 PMY A   1      17.016 -14.029  23.939  1.00  0.00           H  
HETATM  100  H29 PMY A   1      13.360 -14.504  22.065  1.00  0.00           H  
HETATM  101  HNI PMY A   1      15.400 -15.676  22.893  1.00  0.00           H  
HETATM  102  HNK PMY A   1      16.327 -10.548  20.227  1.00  0.00           H  
HETATM  103  H31 PMY A   1      18.978 -11.741  20.069  1.00  0.00           H  
HETATM  104  HBA PMY A   1      17.726  -9.404  18.357  1.00  0.00           H  
HETATM  105  HBB PMY A   1      19.152 -10.278  17.818  1.00  0.00           H  
HETATM  106  HBC PMY A   1      19.217  -9.271  19.267  1.00  0.00           H  
HETATM  107  H33 PMY A   1      16.400 -11.674  18.273  1.00  0.00           H  
HETATM  108  HO2 PMY A   1      17.514 -13.203  17.038  1.00  0.00           H  
HETATM  109  H34 PMY A   1      16.433 -13.097  20.417  1.00  0.00           H  
HETATM  110  HCA PMY A   1      18.497 -14.751  18.571  1.00  0.00           H  
HETATM  111  HCB PMY A   1      17.999 -15.398  20.081  1.00  0.00           H  
HETATM  112  HCC PMY A   1      19.049 -13.990  20.025  1.00  0.00           H  
HETATM  113  HNL PMY A   1      14.676 -12.797  18.181  1.00  0.00           H  
HETATM  114  H37 PMY A   1      13.889 -15.283  17.061  1.00  0.00           H  
HETATM  115  H38 PMY A   1      11.549 -15.215  18.307  1.00  0.00           H  
HETATM  116  HO3 PMY A   1      11.624 -14.632  20.463  1.00  0.00           H  
HETATM  117  HDA PMY A   1      13.833 -16.394  20.111  1.00  0.00           H  
HETATM  118  HDB PMY A   1      13.298 -17.233  18.666  1.00  0.00           H  
HETATM  119  HDC PMY A   1      12.196 -17.002  19.996  1.00  0.00           H  
HETATM  120  HNM PMY A   1      12.956 -11.857  17.683  1.00  0.00           H  
HETATM  121  H1E PMY A   1      11.343 -10.578  16.436  1.00  0.00           H  
HETATM  122  H1X PMY A   1      10.777 -12.125  15.711  1.00  0.00           H  
HETATM  123  H2E PMY A   1      11.945 -10.788  13.949  1.00  0.00           H  
HETATM  124  H2X PMY A   1      12.951 -12.168  14.415  1.00  0.00           H  
HETATM  125  H44 PMY A   1      16.513  -8.431  15.863  1.00  0.00           H  
HETATM  126  H47 PMY A   1      12.994  -3.544  16.330  1.00  0.00           H  
HETATM  127  HNP PMY A   1      14.640  -2.047  16.665  1.00  0.00           H  
HETATM  128  H6E PMY A   1      16.359  -0.515  16.194  1.00  0.00           H  
HETATM  129  H6X PMY A   1      17.552  -1.709  16.286  1.00  0.00           H  
HETATM  130  H7E PMY A   1      16.181  -0.110  18.502  1.00  0.00           H  
HETATM  131  H7X PMY A   1      17.934  -0.498  18.412  1.00  0.00           H  
HETATM  132  H8E PMY A   1      15.891  -2.642  19.219  1.00  0.00           H  
HETATM  133  H8X PMY A   1      16.889  -1.847  20.540  1.00  0.00           H  
HETATM  134  HNQ PMY A   1      17.635  -3.606  18.213  1.00  0.00           H  
HETATM  135  HEA PMY A   1      18.952  -5.610  20.240  1.00  0.00           H  
HETATM  136  HEB PMY A   1      18.706  -4.436  21.520  1.00  0.00           H  
HETATM  137  HEC PMY A   1      20.323  -4.829  21.006  1.00  0.00           H  
HETATM  138  H54 PMY A   1      19.600  -2.627  20.191  1.00  0.00           H  
HETATM  139  H57 PMY A   1      18.782  -5.318  17.575  1.00  0.00           H  
HETATM  140  H58 PMY A   1      20.104  -5.775  15.588  1.00  0.00           H  
HETATM  141  H59 PMY A   1      22.185  -4.580  15.133  1.00  0.00           H  
HETATM  142  H60 PMY A   1      22.952  -2.872  16.688  1.00  0.00           H  
HETATM  143  H61 PMY A   1      21.710  -2.315  18.692  1.00  0.00           H  
HETATM  144 CO   3CO A   2      13.615 -11.085  21.722  1.00  0.00          CO  
HETATM  145  O1  PEO A   3      14.261 -11.497  19.888  1.00  0.00           O  
HETATM  146  O2  PEO A   3      14.547 -10.382  19.008  1.00  0.00           O  
HETATM  147  HO2 PEO A   3      13.747  -9.919  18.776  1.00  0.00           H  
CONECT    1    2   78   79                                                      
CONECT    2    1    3    4                                                      
CONECT    3    2                                                                
CONECT    4    2    5    6   80                                                 
CONECT    5    4   81   82  144                                                 
CONECT    6    4    7   83   84                                                 
CONECT    7    6   12   85  144                                                 
CONECT    8    9   86   87                                                      
CONECT    9    8   10   11                                                      
CONECT   10    9                                                                
CONECT   11    9   12   88   89                                                 
CONECT   12    7   11   13   90                                                 
CONECT   13   12   14   16                                                      
CONECT   14   13   15                                                           
CONECT   15   14   18   19                                                      
CONECT   16   13   17  144                                                      
CONECT   17   16   18   21                                                      
CONECT   18   15   17   20                                                      
CONECT   19   15   91   92                                                      
CONECT   20   18   93   94   95                                                 
CONECT   21   17   22   23                                                      
CONECT   22   21                                                                
CONECT   23   21   24  144                                                      
CONECT   24   23   25   32   96                                                 
CONECT   25   24   26   27   97                                                 
CONECT   26   25   98                                                           
CONECT   27   25   28   29                                                      
CONECT   28   27   30  144                                                      
CONECT   29   27   31   99                                                      
CONECT   30   28   31  100                                                      
CONECT   31   29   30  101                                                      
CONECT   32   24   33   34                                                      
CONECT   33   32                                                                
CONECT   34   32   35  102                                                      
CONECT   35   34   36   37  103                                                 
CONECT   36   35  104  105  106                                                 
CONECT   37   35   38   39  107                                                 
CONECT   38   37  108                                                           
CONECT   39   37   40   41  109                                                 
CONECT   40   39  110  111  112                                                 
CONECT   41   39   42   43                                                      
CONECT   42   41                                                                
CONECT   43   41   44  113                                                      
CONECT   44   43   45   48  114                                                 
CONECT   45   44   46   47  115                                                 
CONECT   46   45  116                                                           
CONECT   47   45  117  118  119                                                 
CONECT   48   44   49   50                                                      
CONECT   49   48                                                                
CONECT   50   48   51  120                                                      
CONECT   51   50   52  121  122                                                 
CONECT   52   51   53  123  124                                                 
CONECT   53   52   54   56                                                      
CONECT   54   53   55                                                           
CONECT   55   54   57  125                                                      
CONECT   56   53   57                                                           
CONECT   57   55   56   58                                                      
CONECT   58   57   59   61                                                      
CONECT   59   58   60                                                           
CONECT   60   59   62  126                                                      
CONECT   61   58   62                                                           
CONECT   62   60   61   63                                                      
CONECT   63   62   64   65                                                      
CONECT   64   63                                                                
CONECT   65   63   66  127                                                      
CONECT   66   65   67  128  129                                                 
CONECT   67   66   68  130  131                                                 
CONECT   68   67   69  132  133                                                 
CONECT   69   68   71  134                                                      
CONECT   70   71  135  136  137                                                 
CONECT   71   69   70   72  138                                                 
CONECT   72   71   73   77                                                      
CONECT   73   72   74  139                                                      
CONECT   74   73   75  140                                                      
CONECT   75   74   76  141                                                      
CONECT   76   75   77  142                                                      
CONECT   77   72   76  143                                                      
CONECT   78    1                                                                
CONECT   79    1                                                                
CONECT   80    4                                                                
CONECT   81    5                                                                
CONECT   82    5                                                                
CONECT   83    6                                                                
CONECT   84    6                                                                
CONECT   85    7                                                                
CONECT   86    8                                                                
CONECT   87    8                                                                
CONECT   88   11                                                                
CONECT   89   11                                                                
CONECT   90   12                                                                
CONECT   91   19                                                                
CONECT   92   19                                                                
CONECT   93   20                                                                
CONECT   94   20                                                                
CONECT   95   20                                                                
CONECT   96   24                                                                
CONECT   97   25                                                                
CONECT   98   26                                                                
CONECT   99   29                                                                
CONECT  100   30                                                                
CONECT  101   31                                                                
CONECT  102   34                                                                
CONECT  103   35                                                                
CONECT  104   36                                                                
CONECT  105   36                                                                
CONECT  106   36                                                                
CONECT  107   37                                                                
CONECT  108   38                                                                
CONECT  109   39                                                                
CONECT  110   40                                                                
CONECT  111   40                                                                
CONECT  112   40                                                                
CONECT  113   43                                                                
CONECT  114   44                                                                
CONECT  115   45                                                                
CONECT  116   46                                                                
CONECT  117   47                                                                
CONECT  118   47                                                                
CONECT  119   47                                                                
CONECT  120   50                                                                
CONECT  121   51                                                                
CONECT  122   51                                                                
CONECT  123   52                                                                
CONECT  124   52                                                                
CONECT  125   55                                                                
CONECT  126   60                                                                
CONECT  127   65                                                                
CONECT  128   66                                                                
CONECT  129   66                                                                
CONECT  130   67                                                                
CONECT  131   67                                                                
CONECT  132   68                                                                
CONECT  133   68                                                                
CONECT  134   69                                                                
CONECT  135   70                                                                
CONECT  136   70                                                                
CONECT  137   70                                                                
CONECT  138   71                                                                
CONECT  139   73                                                                
CONECT  140   74                                                                
CONECT  141   75                                                                
CONECT  142   76                                                                
CONECT  143   77                                                                
CONECT  144    5    7   16   23                                                 
CONECT  144   28  145                                                           
CONECT  145  144  146                                                           
CONECT  146  145  147                                                           
CONECT  147  146                                                                
MASTER       93    0    3    0    0    0    3    6   80    0  148    0          
END