HEADER    CARBOHYDRATE                            21-NOV-20   7KS6              
TITLE     STRUCTURE OF TETRASACCHARIDE BUILDING BLOCK OF A SULFATED FUCAN FROM  
TITLE    2 LYTECHINUS VARIEGATUS                                                
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: 4-O-SULFO-ALPHA-L-FUCOPYRANOSE-(1-3)-2,4-DI-O-SULFO-ALPHA- 
COMPND   3 L-FUCOPYRANOSE-(1-3)-2-O-SULFO-ALPHA-L-FUCOPYRANOSE-(1-3)-2-O-SULFO- 
COMPND   4 ALPHA-L-FUCOPYRANOSE;                                                
COMPND   5 CHAIN: B                                                             
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: LYTECHINUS VARIEGATUS;                          
SOURCE   3 ORGANISM_TAXID: 7654                                                 
KEYWDS    SULFATED FUCAN, TETRASACCHARIDE, CARBOHYDRATE, CARBOHYDRATE UNIT      
EXPDTA    SOLUTION NMR                                                          
NUMMDL    10                                                                    
AUTHOR    S.B.KIM,R.THARA,A.O.ADERIBIGBE,R.J.DOERKSEN,V.H.POMIN                 
REVDAT   1   16-DEC-20 7KS6    0                                                
JRNL        AUTH   F.F.BEZERRA,W.P.VIGNOVICH,A.O.ADERIBIGBE,H.LIU,J.S.SHARP,    
JRNL        AUTH 2 R.J.DOERKSEN,V.H.POMIN                                       
JRNL        TITL   CONFORMATIONAL PROPERTIES OF L-FUCOSE AND THE                
JRNL        TITL 2 TETRASACCHARIDE BUILDING BLOCK OF THE SULFATED L-FUCAN FROM  
JRNL        TITL 3 LYTECHINUS VARIEGATUS.                                       
JRNL        REF    J.STRUCT.BIOL.                V. 209 07407 2020              
JRNL        REFN                   ESSN 1095-8657                               
JRNL        PMID   31698075                                                     
JRNL        DOI    10.1016/J.JSB.2019.107407                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : MESTRELAB (MNOVA / MESTRENOVA / MESTREC)             
REMARK   3   AUTHORS     : MESTRELAB RESEARCH                                   
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 7KS6 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-NOV-20.                  
REMARK 100 THE DEPOSITION ID IS D_1000252913.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298.15                             
REMARK 210  PH                             : 7.0                                
REMARK 210  IONIC STRENGTH                 : 0                                  
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 12.5 MG/ML NA-H,C,N SULFATED       
REMARK 210                                   FUCAN, 100% D2O                    
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-13C HSQC                     
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600.13 MHZ                         
REMARK 210  SPECTROMETER MODEL             : BRUKER                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NMRPIPE, MESTRELAB (MNOVA /        
REMARK 210                                   MESTRENOVA / MESTREC), MACROMODEL  
REMARK 210   METHOD USED                   : DISTANCE GEOMETRY                  
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 10                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 10                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : BACK CALCULATED DATA AGREE WITH    
REMARK 210                                   EXPERIMENTAL NOESY SPECTRUM        
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
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: B                                     
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 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 30815   RELATED DB: BMRB                                 
REMARK 900 STRUCTURE OF TETRASACCHARIDE BUILDING BLOCK OF A SULFATED FUCAN      
REMARK 900 FROM LYTECHINUS VARIEGATUS                                           
HET    X6Y  B   1      25                                                       
HET    X6Y  B   2      23                                                       
HET    X2Y  B   3      26                                                       
HET    X34  B   4      24                                                       
HETNAM     X6Y 2-O-SULFO-ALPHA-L-FUCOPYRANOSE                                   
HETNAM     X2Y 2,4-DI-O-SULFO-ALPHA-L-FUCOPYRANOSE                              
HETNAM     X34 4-O-SULFO-ALPHA-L-FUCOPYRANOSE                                   
HETSYN     X6Y 6-DEOXY-2-O-SULFO-ALPHA-L-GALACTOPYRANOSE                        
HETSYN     X2Y 6-DEOXY-2,4-DI-O-SULFO-ALPHA-L-GALACTOPYRANOSE                   
HETSYN     X34 6-DEOXY-4-O-SULFO-ALPHA-L-GALACTOPYRANOSE                        
FORMUL   1  X6Y    2(C6 H12 O8 S)                                               
FORMUL   1  X2Y    C6 H12 O11 S2                                                
FORMUL   1  X34    C6 H12 O8 S                                                  
LINK         O3  X6Y B   1                 C1  X6Y B   2     1555   1555  1.40  
LINK         O3  X6Y B   2                 C1  X2Y B   3     1555   1555  1.40  
LINK         O3  X2Y B   3                 C1  X34 B   4     1555   1555  1.40  
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                         
MODEL        1                                                                  
HETATM    1  C5  X6Y B   1       6.721 -10.131   3.236  1.00  0.00           C  
HETATM    2  C6  X6Y B   1       7.445  -9.871   4.567  1.00  0.00           C  
HETATM    3  C2  X6Y B   1       4.424 -10.714   1.575  1.00  0.00           C  
HETATM    4  C4  X6Y B   1       6.354 -11.620   2.987  1.00  0.00           C  
HETATM    5  C3  X6Y B   1       5.510 -11.763   1.696  1.00  0.00           C  
HETATM    6  C1  X6Y B   1       4.867  -9.291   1.970  1.00  0.00           C  
HETATM    7  O5  X6Y B   1       5.553  -9.295   3.196  1.00  0.00           O  
HETATM    8  O4  X6Y B   1       5.720 -12.246   4.101  1.00  0.00           O  
HETATM    9  O1  X6Y B   1       5.640  -8.754   0.974  1.00  0.00           O  
HETATM   10  O3  X6Y B   1       4.958 -13.075   1.482  1.00  0.00           O  
HETATM   11  S1  X6Y B   1       2.069 -10.896   0.371  1.00  0.00           S  
HETATM   12  O6  X6Y B   1       1.848 -12.224   0.942  1.00  0.00           O1-
HETATM   13  O7  X6Y B   1       1.623  -9.790   1.222  1.00  0.00           O  
HETATM   14  O8  X6Y B   1       1.674 -10.771  -1.033  1.00  0.00           O  
HETATM   15  O2  X6Y B   1       3.719 -10.739   0.330  1.00  0.00           O  
HETATM   16  H5  X6Y B   1       7.410  -9.817   2.448  1.00  0.00           H  
HETATM   17  H61 X6Y B   1       6.799 -10.081   5.420  1.00  0.00           H  
HETATM   18  H63 X6Y B   1       7.762  -8.830   4.642  1.00  0.00           H  
HETATM   19  H62 X6Y B   1       8.335 -10.494   4.660  1.00  0.00           H  
HETATM   20  H2  X6Y B   1       3.815 -11.083   2.349  1.00  0.00           H  
HETATM   21  H4  X6Y B   1       7.295 -12.146   2.843  1.00  0.00           H  
HETATM   22  H3  X6Y B   1       6.081 -11.492   0.861  1.00  0.00           H  
HETATM   23  H1  X6Y B   1       4.006  -8.657   2.188  1.00  0.00           H  
HETATM   24  HO4 X6Y B   1       5.873 -13.215   4.001  1.00  0.00           H  
HETATM   25  HO1 X6Y B   1       5.628  -7.799   1.119  1.00  0.00           H  
HETATM   26  C5  X6Y B   2       4.728 -13.546  -1.389  1.00  0.00           C  
HETATM   27  C6  X6Y B   2       5.087 -12.911  -2.742  1.00  0.00           C  
HETATM   28  C2  X6Y B   2       5.035 -15.381   0.831  1.00  0.00           C  
HETATM   29  C4  X6Y B   2       4.091 -14.954  -1.496  1.00  0.00           C  
HETATM   30  C3  X6Y B   2       3.804 -15.468  -0.067  1.00  0.00           C  
HETATM   31  C1  X6Y B   2       5.724 -13.989   0.751  1.00  0.00           C  
HETATM   32  O5  X6Y B   2       5.912 -13.564  -0.580  1.00  0.00           O  
HETATM   33  O4  X6Y B   2       4.889 -15.870  -2.246  1.00  0.00           O  
HETATM   34  O3  X6Y B   2       3.257 -16.797  -0.024  1.00  0.00           O  
HETATM   35  S1  X6Y B   2       5.891 -16.101   3.254  1.00  0.00           S  
HETATM   36  O6  X6Y B   2       6.330 -14.774   3.685  1.00  0.00           O1-
HETATM   37  O7  X6Y B   2       5.219 -16.871   4.302  1.00  0.00           O  
HETATM   38  O8  X6Y B   2       6.901 -16.858   2.511  1.00  0.00           O  
HETATM   39  O2  X6Y B   2       4.685 -15.797   2.155  1.00  0.00           O  
HETATM   40  H5  X6Y B   2       3.995 -12.887  -0.921  1.00  0.00           H  
HETATM   41  H61 X6Y B   2       5.876 -13.470  -3.247  1.00  0.00           H  
HETATM   42  H63 X6Y B   2       5.438 -11.888  -2.610  1.00  0.00           H  
HETATM   43  H62 X6Y B   2       4.222 -12.879  -3.406  1.00  0.00           H  
HETATM   44  H2  X6Y B   2       5.675 -16.127   0.401  1.00  0.00           H  
HETATM   45  H4  X6Y B   2       3.148 -14.856  -2.037  1.00  0.00           H  
HETATM   46  H3  X6Y B   2       3.125 -14.807   0.436  1.00  0.00           H  
HETATM   47  H1  X6Y B   2       6.745 -14.007   1.142  1.00  0.00           H  
HETATM   48  HO4 X6Y B   2       4.314 -16.630  -2.505  1.00  0.00           H  
HETATM   49  C5  X2Y B   3       1.028 -16.635   1.824  1.00  0.00           C  
HETATM   50  C4  X2Y B   3       0.444 -18.061   1.892  1.00  0.00           C  
HETATM   51  C3  X2Y B   3       1.349 -19.000   1.055  1.00  0.00           C  
HETATM   52  C2  X2Y B   3       1.578 -18.465  -0.359  1.00  0.00           C  
HETATM   53  C1  X2Y B   3       1.912 -16.953  -0.377  1.00  0.00           C  
HETATM   54  O5  X2Y B   3       1.070 -16.199   0.461  1.00  0.00           O  
HETATM   55  C6  X2Y B   3       0.227 -15.595   2.618  1.00  0.00           C  
HETATM   56  O3  X2Y B   3       0.844 -20.335   1.214  1.00  0.00           O  
HETATM   57  S1  X2Y B   3       2.605 -19.094  -2.747  1.00  0.00           S  
HETATM   58  O6  X2Y B   3       3.289 -17.820  -2.966  1.00  0.00           O1-
HETATM   59  O7  X2Y B   3       1.212 -19.103  -3.196  1.00  0.00           O  
HETATM   60  O8  X2Y B   3       3.381 -20.261  -3.171  1.00  0.00           O  
HETATM   61  O2  X2Y B   3       2.530 -19.244  -1.093  1.00  0.00           O  
HETATM   62  S2  X2Y B   3      -2.141 -18.600   2.299  1.00  0.00           S  
HETATM   63  O9  X2Y B   3      -1.843 -20.009   2.551  1.00  0.00           O1-
HETATM   64  O10 X2Y B   3      -3.324 -18.382   1.465  1.00  0.00           O  
HETATM   65  O11 X2Y B   3      -2.097 -17.759   3.497  1.00  0.00           O  
HETATM   66  O4  X2Y B   3      -0.886 -18.060   1.353  1.00  0.00           O  
HETATM   67  H5  X2Y B   3       2.040 -16.644   2.238  1.00  0.00           H  
HETATM   68  H4  X2Y B   3       0.400 -18.382   2.940  1.00  0.00           H  
HETATM   69  H3  X2Y B   3       2.361 -19.007   1.389  1.00  0.00           H  
HETATM   70  H2  X2Y B   3       0.617 -18.607  -0.778  1.00  0.00           H  
HETATM   71  H1  X2Y B   3       1.715 -16.542  -1.370  1.00  0.00           H  
HETATM   72  H61 X2Y B   3      -0.785 -15.489   2.228  1.00  0.00           H  
HETATM   73  H63 X2Y B   3       0.705 -14.616   2.566  1.00  0.00           H  
HETATM   74  H62 X2Y B   3       0.153 -15.870   3.670  1.00  0.00           H  
HETATM   75  C5  X34 B   4      -0.454 -21.937  -0.728  1.00  0.00           C  
HETATM   76  C4  X34 B   4      -0.733 -23.252   0.051  1.00  0.00           C  
HETATM   77  C3  X34 B   4      -0.180 -23.096   1.487  1.00  0.00           C  
HETATM   78  C2  X34 B   4       1.314 -22.678   1.431  1.00  0.00           C  
HETATM   79  C1  X34 B   4       1.488 -21.404   0.575  1.00  0.00           C  
HETATM   80  O5  X34 B   4       0.945 -21.600  -0.711  1.00  0.00           O  
HETATM   81  C6  X34 B   4      -0.909 -21.976  -2.192  1.00  0.00           C  
HETATM   82  O3  X34 B   4      -0.420 -24.248   2.298  1.00  0.00           O  
HETATM   83  O2  X34 B   4       1.933 -22.543   2.707  1.00  0.00           O  
HETATM   84  S1  X34 B   4      -1.074 -25.623  -1.140  1.00  0.00           S  
HETATM   85  O6  X34 B   4      -1.695 -26.169   0.068  1.00  0.00           O  
HETATM   86  O7  X34 B   4      -2.026 -25.013  -2.068  1.00  0.00           O1-
HETATM   87  O8  X34 B   4      -0.124 -26.537  -1.778  1.00  0.00           O  
HETATM   88  O4  X34 B   4      -0.119 -24.366  -0.613  1.00  0.00           O  
HETATM   89  H5  X34 B   4      -1.015 -21.129  -0.249  1.00  0.00           H  
HETATM   90  H4  X34 B   4      -1.814 -23.407   0.096  1.00  0.00           H  
HETATM   91  H3  X34 B   4      -0.738 -22.286   1.965  1.00  0.00           H  
HETATM   92  H2  X34 B   4       1.872 -23.468   0.920  1.00  0.00           H  
HETATM   93  H1  X34 B   4       2.552 -21.193   0.414  1.00  0.00           H  
HETATM   94  H63 X34 B   4      -0.347 -22.715  -2.763  1.00  0.00           H  
HETATM   95  H62 X34 B   4      -0.764 -21.008  -2.671  1.00  0.00           H  
HETATM   96  H61 X34 B   4      -1.968 -22.225  -2.271  1.00  0.00           H  
HETATM   97  HO3 X34 B   4      -0.224 -24.021   3.220  1.00  0.00           H  
HETATM   98  HO2 X34 B   4       1.929 -23.411   3.137  1.00  0.00           H  
ENDMDL                                                                          
MODEL        2                                                                  
HETATM    1  C5  X6Y B   1       7.153 -10.836   3.182  1.00  0.00           C  
HETATM    2  C6  X6Y B   1       7.927 -10.835   4.510  1.00  0.00           C  
HETATM    3  C2  X6Y B   1       4.768 -10.835   1.542  1.00  0.00           C  
HETATM    4  C4  X6Y B   1       6.492 -12.198   2.832  1.00  0.00           C  
HETATM    5  C3  X6Y B   1       5.655 -12.064   1.542  1.00  0.00           C  
HETATM    6  C1  X6Y B   1       5.474  -9.555   2.040  1.00  0.00           C  
HETATM    7  O5  X6Y B   1       6.169  -9.790   3.239  1.00  0.00           O  
HETATM    8  O4  X6Y B   1       5.714 -12.736   3.903  1.00  0.00           O  
HETATM    9  O1  X6Y B   1       6.318  -9.085   1.069  1.00  0.00           O  
HETATM   10  O3  X6Y B   1       4.909 -13.256   1.241  1.00  0.00           O  
HETATM   11  S1  X6Y B   1       2.405 -10.443   0.408  1.00  0.00           S  
HETATM   12  O6  X6Y B   1       1.926 -11.735   0.898  1.00  0.00           O1-
HETATM   13  O7  X6Y B   1       2.215  -9.333   1.345  1.00  0.00           O  
HETATM   14  O8  X6Y B   1       2.017 -10.140  -0.970  1.00  0.00           O  
HETATM   15  O2  X6Y B   1       4.051 -10.628   0.321  1.00  0.00           O  
HETATM   16  H5  X6Y B   1       7.881 -10.599   2.402  1.00  0.00           H  
HETATM   17  H61 X6Y B   1       7.261 -10.989   5.360  1.00  0.00           H  
HETATM   18  H63 X6Y B   1       8.440  -9.885   4.662  1.00  0.00           H  
HETATM   19  H62 X6Y B   1       8.680 -11.623   4.529  1.00  0.00           H  
HETATM   20  H2  X6Y B   1       4.113 -11.151   2.302  1.00  0.00           H  
HETATM   21  H4  X6Y B   1       7.293 -12.904   2.629  1.00  0.00           H  
HETATM   22  H3  X6Y B   1       6.268 -11.796   0.735  1.00  0.00           H  
HETATM   23  H1  X6Y B   1       4.749  -8.795   2.337  1.00  0.00           H  
HETATM   24  HO4 X6Y B   1       5.376 -13.600   3.623  1.00  0.00           H  
HETATM   25  HO1 X6Y B   1       6.485  -8.161   1.292  1.00  0.00           H  
HETATM   26  C5  X6Y B   2       4.285 -13.483  -1.572  1.00  0.00           C  
HETATM   27  C6  X6Y B   2       4.542 -12.818  -2.934  1.00  0.00           C  
HETATM   28  C2  X6Y B   2       4.656 -15.502   0.463  1.00  0.00           C  
HETATM   29  C4  X6Y B   2       3.435 -14.778  -1.645  1.00  0.00           C  
HETATM   30  C3  X6Y B   2       3.301 -15.366  -0.220  1.00  0.00           C  
HETATM   31  C1  X6Y B   2       5.489 -14.197   0.377  1.00  0.00           C  
HETATM   32  O5  X6Y B   2       5.557 -13.707  -0.941  1.00  0.00           O  
HETATM   33  O4  X6Y B   2       3.950 -15.735  -2.572  1.00  0.00           O  
HETATM   34  O3  X6Y B   2       2.603 -16.621  -0.173  1.00  0.00           O  
HETATM   35  S1  X6Y B   2       5.556 -17.062   2.407  1.00  0.00           S  
HETATM   36  O6  X6Y B   2       5.149 -17.225   3.802  1.00  0.00           O1-
HETATM   37  O7  X6Y B   2       5.328 -18.244   1.574  1.00  0.00           O  
HETATM   38  O8  X6Y B   2       6.877 -16.455   2.233  1.00  0.00           O  
HETATM   39  O2  X6Y B   2       4.500 -15.927   1.818  1.00  0.00           O  
HETATM   40  H5  X6Y B   2       3.727 -12.761  -0.975  1.00  0.00           H  
HETATM   41  H61 X6Y B   2       5.170 -13.443  -3.570  1.00  0.00           H  
HETATM   42  H63 X6Y B   2       5.046 -11.860  -2.810  1.00  0.00           H  
HETATM   43  H62 X6Y B   2       3.608 -12.632  -3.465  1.00  0.00           H  
HETATM   44  H2  X6Y B   2       5.124 -16.274  -0.120  1.00  0.00           H  
HETATM   45  H4  X6Y B   2       2.443 -14.508  -2.011  1.00  0.00           H  
HETATM   46  H3  X6Y B   2       2.803 -14.671   0.425  1.00  0.00           H  
HETATM   47  H1  X6Y B   2       6.538 -14.377   0.642  1.00  0.00           H  
HETATM   48  HO4 X6Y B   2       3.219 -16.362  -2.789  1.00  0.00           H  
HETATM   49  C5  X2Y B   3       0.781 -16.466   2.105  1.00  0.00           C  
HETATM   50  C4  X2Y B   3       0.039 -17.818   2.113  1.00  0.00           C  
HETATM   51  C3  X2Y B   3       0.684 -18.714   1.031  1.00  0.00           C  
HETATM   52  C2  X2Y B   3       0.682 -18.034  -0.329  1.00  0.00           C  
HETATM   53  C1  X2Y B   3       1.209 -16.578  -0.258  1.00  0.00           C  
HETATM   54  O5  X2Y B   3       0.656 -15.851   0.815  1.00  0.00           O  
HETATM   55  C6  X2Y B   3       0.255 -15.474   3.151  1.00  0.00           C  
HETATM   56  O3  X2Y B   3       0.082 -20.018   1.023  1.00  0.00           O  
HETATM   57  S1  X2Y B   3       1.100 -18.494  -2.924  1.00  0.00           S  
HETATM   58  O6  X2Y B   3      -0.340 -18.278  -3.058  1.00  0.00           O1-
HETATM   59  O7  X2Y B   3       1.594 -19.685  -3.615  1.00  0.00           O  
HETATM   60  O8  X2Y B   3       1.909 -17.297  -3.158  1.00  0.00           O  
HETATM   61  O2  X2Y B   3       1.331 -18.842  -1.315  1.00  0.00           O  
HETATM   62  S2  X2Y B   3      -2.516 -18.279   2.758  1.00  0.00           S  
HETATM   63  O9  X2Y B   3      -2.144 -17.949   4.134  1.00  0.00           O1-
HETATM   64  O10 X2Y B   3      -2.437 -19.705   2.440  1.00  0.00           O  
HETATM   65  O11 X2Y B   3      -3.754 -17.642   2.306  1.00  0.00           O  
HETATM   66  O4  X2Y B   3      -1.344 -17.576   1.818  1.00  0.00           O  
HETATM   67  H5  X2Y B   3       1.839 -16.634   2.324  1.00  0.00           H  
HETATM   68  H4  X2Y B   3       0.133 -18.281   3.100  1.00  0.00           H  
HETATM   69  H3  X2Y B   3       1.743 -18.796   1.139  1.00  0.00           H  
HETATM   70  H2  X2Y B   3      -0.356 -18.000  -0.542  1.00  0.00           H  
HETATM   71  H1  X2Y B   3       0.884 -16.021  -1.140  1.00  0.00           H  
HETATM   72  H61 X2Y B   3      -0.787 -15.214   2.965  1.00  0.00           H  
HETATM   73  H63 X2Y B   3       0.833 -14.550   3.135  1.00  0.00           H  
HETATM   74  H62 X2Y B   3       0.321 -15.888   4.158  1.00  0.00           H  
HETATM   75  C5  X34 B   4       1.349 -22.041  -0.552  1.00  0.00           C  
HETATM   76  C4  X34 B   4       0.427 -23.267  -0.311  1.00  0.00           C  
HETATM   77  C3  X34 B   4      -0.709 -22.834   0.635  1.00  0.00           C  
HETATM   78  C2  X34 B   4      -0.102 -22.241   1.930  1.00  0.00           C  
HETATM   79  C1  X34 B   4       0.836 -21.064   1.586  1.00  0.00           C  
HETATM   80  O5  X34 B   4       1.836 -21.481   0.683  1.00  0.00           O  
HETATM   81  C6  X34 B   4       2.567 -22.341  -1.436  1.00  0.00           C  
HETATM   82  O3  X34 B   4      -1.629 -23.892   0.872  1.00  0.00           O  
HETATM   83  O2  X34 B   4      -1.059 -21.893   2.923  1.00  0.00           O  
HETATM   84  S1  X34 B   4       1.254 -25.797  -0.585  1.00  0.00           S  
HETATM   85  O6  X34 B   4      -0.126 -26.281  -0.647  1.00  0.00           O  
HETATM   86  O7  X34 B   4       1.817 -25.454  -1.891  1.00  0.00           O1-
HETATM   87  O8  X34 B   4       2.132 -26.628   0.241  1.00  0.00           O  
HETATM   88  O4  X34 B   4       1.177 -24.356   0.244  1.00  0.00           O  
HETATM   89  H5  X34 B   4       0.761 -21.283  -1.074  1.00  0.00           H  
HETATM   90  H4  X34 B   4      -0.032 -23.584  -1.248  1.00  0.00           H  
HETATM   91  H3  X34 B   4      -1.292 -22.048   0.145  1.00  0.00           H  
HETATM   92  H2  X34 B   4       0.519 -23.009   2.400  1.00  0.00           H  
HETATM   93  H1  X34 B   4       1.378 -20.741   2.484  1.00  0.00           H  
HETATM   94  H63 X34 B   4       3.240 -23.053  -0.959  1.00  0.00           H  
HETATM   95  H62 X34 B   4       3.133 -21.431  -1.636  1.00  0.00           H  
HETATM   96  H61 X34 B   4       2.264 -22.756  -2.398  1.00  0.00           H  
HETATM   97  HO3 X34 B   4      -2.180 -23.616   1.617  1.00  0.00           H  
HETATM   98  HO2 X34 B   4      -1.571 -21.110   2.613  1.00  0.00           H  
ENDMDL                                                                          
MODEL        3                                                                  
HETATM    1  C5  X6Y B   1       7.346 -10.786   2.980  1.00  0.00           C  
HETATM    2  C6  X6Y B   1       8.286 -10.738   4.195  1.00  0.00           C  
HETATM    3  C2  X6Y B   1       4.772 -10.926   1.664  1.00  0.00           C  
HETATM    4  C4  X6Y B   1       6.744 -12.189   2.692  1.00  0.00           C  
HETATM    5  C3  X6Y B   1       5.710 -12.109   1.540  1.00  0.00           C  
HETATM    6  C1  X6Y B   1       5.461  -9.610   2.081  1.00  0.00           C  
HETATM    7  O5  X6Y B   1       6.311  -9.809   3.181  1.00  0.00           O  
HETATM    8  O4  X6Y B   1       6.196 -12.822   3.846  1.00  0.00           O  
HETATM    9  O1  X6Y B   1       6.145  -9.089   1.015  1.00  0.00           O  
HETATM   10  O3  X6Y B   1       4.959 -13.318   1.323  1.00  0.00           O  
HETATM   11  S1  X6Y B   1       2.262 -10.709   0.840  1.00  0.00           S  
HETATM   12  O6  X6Y B   1       1.952 -12.046   1.343  1.00  0.00           O1-
HETATM   13  O7  X6Y B   1       2.100  -9.639   1.827  1.00  0.00           O  
HETATM   14  O8  X6Y B   1       1.684 -10.411  -0.471  1.00  0.00           O  
HETATM   15  O2  X6Y B   1       3.894 -10.751   0.548  1.00  0.00           O  
HETATM   16  H5  X6Y B   1       7.948 -10.493   2.117  1.00  0.00           H  
HETATM   17  H61 X6Y B   1       7.749 -10.940   5.123  1.00  0.00           H  
HETATM   18  H63 X6Y B   1       8.751  -9.756   4.290  1.00  0.00           H  
HETATM   19  H62 X6Y B   1       9.085 -11.474   4.105  1.00  0.00           H  
HETATM   20  H2  X6Y B   1       4.240 -11.283   2.498  1.00  0.00           H  
HETATM   21  H4  X6Y B   1       7.572 -12.816   2.367  1.00  0.00           H  
HETATM   22  H3  X6Y B   1       6.186 -11.838   0.648  1.00  0.00           H  
HETATM   23  H1  X6Y B   1       4.736  -8.895   2.475  1.00  0.00           H  
HETATM   24  HO4 X6Y B   1       6.191 -13.790   3.659  1.00  0.00           H  
HETATM   25  HO1 X6Y B   1       6.285  -8.157   1.224  1.00  0.00           H  
HETATM   26  C5  X6Y B   2       4.253 -13.486  -1.501  1.00  0.00           C  
HETATM   27  C6  X6Y B   2       4.497 -12.781  -2.845  1.00  0.00           C  
HETATM   28  C2  X6Y B   2       4.623 -15.546   0.503  1.00  0.00           C  
HETATM   29  C4  X6Y B   2       3.411 -14.782  -1.606  1.00  0.00           C  
HETATM   30  C3  X6Y B   2       3.274 -15.393  -0.192  1.00  0.00           C  
HETATM   31  C1  X6Y B   2       5.479 -14.249   0.417  1.00  0.00           C  
HETATM   32  O5  X6Y B   2       5.528 -13.732  -0.892  1.00  0.00           O  
HETATM   33  O4  X6Y B   2       3.936 -15.719  -2.547  1.00  0.00           O  
HETATM   34  O3  X6Y B   2       2.567 -16.644  -0.168  1.00  0.00           O  
HETATM   35  S1  X6Y B   2       5.713 -16.586   2.707  1.00  0.00           S  
HETATM   36  O6  X6Y B   2       5.101 -17.381   3.771  1.00  0.00           O1-
HETATM   37  O7  X6Y B   2       6.510 -17.365   1.758  1.00  0.00           O  
HETATM   38  O8  X6Y B   2       6.369 -15.367   3.181  1.00  0.00           O  
HETATM   39  O2  X6Y B   2       4.414 -16.036   1.831  1.00  0.00           O  
HETATM   40  H5  X6Y B   2       3.699 -12.784  -0.878  1.00  0.00           H  
HETATM   41  H61 X6Y B   2       5.116 -13.388  -3.507  1.00  0.00           H  
HETATM   42  H63 X6Y B   2       5.006 -11.828  -2.698  1.00  0.00           H  
HETATM   43  H62 X6Y B   2       3.558 -12.577  -3.360  1.00  0.00           H  
HETATM   44  H2  X6Y B   2       5.084 -16.322  -0.077  1.00  0.00           H  
HETATM   45  H4  X6Y B   2       2.420 -14.507  -1.973  1.00  0.00           H  
HETATM   46  H3  X6Y B   2       2.772 -14.707   0.462  1.00  0.00           H  
HETATM   47  H1  X6Y B   2       6.533 -14.431   0.643  1.00  0.00           H  
HETATM   48  HO4 X6Y B   2       3.213 -16.350  -2.777  1.00  0.00           H  
HETATM   49  C5  X2Y B   3       0.648 -16.465   2.034  1.00  0.00           C  
HETATM   50  C4  X2Y B   3      -0.099 -17.815   2.019  1.00  0.00           C  
HETATM   51  C3  X2Y B   3       0.592 -18.721   0.975  1.00  0.00           C  
HETATM   52  C2  X2Y B   3       0.651 -18.053  -0.389  1.00  0.00           C  
HETATM   53  C1  X2Y B   3       1.177 -16.598  -0.307  1.00  0.00           C  
HETATM   54  O5  X2Y B   3       0.583 -15.860   0.736  1.00  0.00           O  
HETATM   55  C6  X2Y B   3       0.079 -15.464   3.048  1.00  0.00           C  
HETATM   56  O3  X2Y B   3      -0.007 -20.026   0.952  1.00  0.00           O  
HETATM   57  S1  X2Y B   3       1.178 -18.548  -2.959  1.00  0.00           S  
HETATM   58  O6  X2Y B   3       1.929 -17.311  -3.170  1.00  0.00           O1-
HETATM   59  O7  X2Y B   3      -0.266 -18.415  -3.164  1.00  0.00           O  
HETATM   60  O8  X2Y B   3       1.765 -19.719  -3.612  1.00  0.00           O  
HETATM   61  O2  X2Y B   3       1.348 -18.869  -1.337  1.00  0.00           O  
HETATM   62  S2  X2Y B   3      -2.682 -18.272   2.547  1.00  0.00           S  
HETATM   63  O9  X2Y B   3      -2.373 -17.941   3.938  1.00  0.00           O1-
HETATM   64  O10 X2Y B   3      -2.591 -19.698   2.234  1.00  0.00           O  
HETATM   65  O11 X2Y B   3      -3.896 -17.633   2.037  1.00  0.00           O  
HETATM   66  O4  X2Y B   3      -1.467 -17.571   1.661  1.00  0.00           O  
HETATM   67  H5  X2Y B   3       1.695 -16.635   2.301  1.00  0.00           H  
HETATM   68  H4  X2Y B   3      -0.051 -18.270   3.013  1.00  0.00           H  
HETATM   69  H3  X2Y B   3       1.644 -18.803   1.132  1.00  0.00           H  
HETATM   70  H2  X2Y B   3      -0.375 -18.023  -0.651  1.00  0.00           H  
HETATM   71  H1  X2Y B   3       0.888 -16.046  -1.204  1.00  0.00           H  
HETATM   72  H61 X2Y B   3      -0.954 -15.204   2.815  1.00  0.00           H  
HETATM   73  H63 X2Y B   3       0.659 -14.541   3.049  1.00  0.00           H  
HETATM   74  H62 X2Y B   3       0.100 -15.869   4.060  1.00  0.00           H  
HETATM   75  C5  X34 B   4       1.354 -22.061  -0.527  1.00  0.00           C  
HETATM   76  C4  X34 B   4       0.426 -23.290  -0.322  1.00  0.00           C  
HETATM   77  C3  X34 B   4      -0.762 -22.852   0.555  1.00  0.00           C  
HETATM   78  C2  X34 B   4      -0.231 -22.240   1.874  1.00  0.00           C  
HETATM   79  C1  X34 B   4       0.719 -21.062   1.567  1.00  0.00           C  
HETATM   80  O5  X34 B   4       1.770 -21.484   0.727  1.00  0.00           O  
HETATM   81  C6  X34 B   4       2.619 -22.363  -1.340  1.00  0.00           C  
HETATM   82  O3  X34 B   4      -1.688 -23.913   0.755  1.00  0.00           O  
HETATM   83  O2  X34 B   4      -1.243 -21.884   2.808  1.00  0.00           O  
HETATM   84  S1  X34 B   4       1.282 -25.817  -0.517  1.00  0.00           S  
HETATM   85  O6  X34 B   4      -0.089 -26.311  -0.648  1.00  0.00           O  
HETATM   86  O7  X34 B   4       1.914 -25.487  -1.794  1.00  0.00           O1-
HETATM   87  O8  X34 B   4       2.118 -26.632   0.367  1.00  0.00           O  
HETATM   88  O4  X34 B   4       1.151 -24.367   0.289  1.00  0.00           O  
HETATM   89  H5  X34 B   4       0.791 -21.313  -1.088  1.00  0.00           H  
HETATM   90  H4  X34 B   4       0.021 -23.621  -1.278  1.00  0.00           H  
HETATM   91  H3  X34 B   4      -1.322 -22.076   0.024  1.00  0.00           H  
HETATM   92  H2  X34 B   4       0.366 -22.998   2.387  1.00  0.00           H  
HETATM   93  H1  X34 B   4       1.210 -20.724   2.489  1.00  0.00           H  
HETATM   94  H63 X34 B   4       3.270 -23.065  -0.818  1.00  0.00           H  
HETATM   95  H62 X34 B   4       3.190 -21.452  -1.521  1.00  0.00           H  
HETATM   96  H61 X34 B   4       2.371 -22.792  -2.311  1.00  0.00           H  
HETATM   97  HO3 X34 B   4      -2.281 -23.631   1.464  1.00  0.00           H  
HETATM   98  HO2 X34 B   4      -1.737 -21.104   2.463  1.00  0.00           H  
ENDMDL                                                                          
MODEL        4                                                                  
HETATM    1  C5  X6Y B   1       7.323 -10.765   2.992  1.00  0.00           C  
HETATM    2  C6  X6Y B   1       8.260 -10.714   4.210  1.00  0.00           C  
HETATM    3  C2  X6Y B   1       4.754 -10.924   1.671  1.00  0.00           C  
HETATM    4  C4  X6Y B   1       6.737 -12.173   2.695  1.00  0.00           C  
HETATM    5  C3  X6Y B   1       5.703 -12.098   1.543  1.00  0.00           C  
HETATM    6  C1  X6Y B   1       5.429  -9.604   2.096  1.00  0.00           C  
HETATM    7  O5  X6Y B   1       6.279  -9.800   3.196  1.00  0.00           O  
HETATM    8  O4  X6Y B   1       6.195 -12.819   3.845  1.00  0.00           O  
HETATM    9  O1  X6Y B   1       6.110  -9.071   1.034  1.00  0.00           O  
HETATM   10  O3  X6Y B   1       4.963 -13.312   1.321  1.00  0.00           O  
HETATM   11  S1  X6Y B   1       2.243 -10.723   0.842  1.00  0.00           S  
HETATM   12  O6  X6Y B   1       1.943 -12.065   1.340  1.00  0.00           O1-
HETATM   13  O7  X6Y B   1       2.071  -9.659   1.833  1.00  0.00           O  
HETATM   14  O8  X6Y B   1       1.666 -10.425  -0.469  1.00  0.00           O  
HETATM   15  O2  X6Y B   1       3.876 -10.753   0.553  1.00  0.00           O  
HETATM   16  H5  X6Y B   1       7.925 -10.462   2.132  1.00  0.00           H  
HETATM   17  H61 X6Y B   1       7.723 -10.927   5.135  1.00  0.00           H  
HETATM   18  H63 X6Y B   1       8.714  -9.728   4.312  1.00  0.00           H  
HETATM   19  H62 X6Y B   1       9.068 -11.441   4.117  1.00  0.00           H  
HETATM   20  H2  X6Y B   1       4.223 -11.291   2.502  1.00  0.00           H  
HETATM   21  H4  X6Y B   1       7.572 -12.788   2.369  1.00  0.00           H  
HETATM   22  H3  X6Y B   1       6.177 -11.819   0.652  1.00  0.00           H  
HETATM   23  H1  X6Y B   1       4.696  -8.897   2.491  1.00  0.00           H  
HETATM   24  HO4 X6Y B   1       6.207 -13.787   3.652  1.00  0.00           H  
HETATM   25  HO1 X6Y B   1       6.241  -8.138   1.248  1.00  0.00           H  
HETATM   26  C5  X6Y B   2       4.261 -13.481  -1.503  1.00  0.00           C  
HETATM   27  C6  X6Y B   2       4.499 -12.775  -2.847  1.00  0.00           C  
HETATM   28  C2  X6Y B   2       4.648 -15.541   0.498  1.00  0.00           C  
HETATM   29  C4  X6Y B   2       3.427 -14.783  -1.607  1.00  0.00           C  
HETATM   30  C3  X6Y B   2       3.296 -15.396  -0.193  1.00  0.00           C  
HETATM   31  C1  X6Y B   2       5.492 -14.237   0.415  1.00  0.00           C  
HETATM   32  O5  X6Y B   2       5.538 -13.719  -0.894  1.00  0.00           O  
HETATM   33  O4  X6Y B   2       3.957 -15.716  -2.549  1.00  0.00           O  
HETATM   34  O3  X6Y B   2       2.593 -16.650  -0.168  1.00  0.00           O  
HETATM   35  S1  X6Y B   2       5.757 -16.576   2.694  1.00  0.00           S  
HETATM   36  O6  X6Y B   2       6.410 -15.351   3.157  1.00  0.00           O1-
HETATM   37  O7  X6Y B   2       5.157 -17.369   3.769  1.00  0.00           O  
HETATM   38  O8  X6Y B   2       6.550 -17.359   1.745  1.00  0.00           O  
HETATM   39  O2  X6Y B   2       4.449 -16.039   1.825  1.00  0.00           O  
HETATM   40  H5  X6Y B   2       3.702 -12.783  -0.879  1.00  0.00           H  
HETATM   41  H61 X6Y B   2       5.122 -13.378  -3.508  1.00  0.00           H  
HETATM   42  H63 X6Y B   2       5.002 -11.819  -2.700  1.00  0.00           H  
HETATM   43  H62 X6Y B   2       3.558 -12.577  -3.361  1.00  0.00           H  
HETATM   44  H2  X6Y B   2       5.115 -16.311  -0.086  1.00  0.00           H  
HETATM   45  H4  X6Y B   2       2.434 -14.514  -1.972  1.00  0.00           H  
HETATM   46  H3  X6Y B   2       2.793 -14.713   0.463  1.00  0.00           H  
HETATM   47  H1  X6Y B   2       6.547 -14.410   0.641  1.00  0.00           H  
HETATM   48  HO4 X6Y B   2       3.238 -16.353  -2.778  1.00  0.00           H  
HETATM   49  C5  X2Y B   3       0.669 -16.469   2.031  1.00  0.00           C  
HETATM   50  C4  X2Y B   3      -0.079 -17.818   2.017  1.00  0.00           C  
HETATM   51  C3  X2Y B   3       0.615 -18.727   0.977  1.00  0.00           C  
HETATM   52  C2  X2Y B   3       0.678 -18.063  -0.389  1.00  0.00           C  
HETATM   53  C1  X2Y B   3       1.203 -16.607  -0.309  1.00  0.00           C  
HETATM   54  O5  X2Y B   3       0.606 -15.867   0.731  1.00  0.00           O  
HETATM   55  C6  X2Y B   3       0.100 -15.464   3.041  1.00  0.00           C  
HETATM   56  O3  X2Y B   3       0.012 -20.030   0.957  1.00  0.00           O  
HETATM   57  S1  X2Y B   3       1.211 -18.562  -2.957  1.00  0.00           S  
HETATM   58  O6  X2Y B   3       1.962 -17.324  -3.167  1.00  0.00           O1-
HETATM   59  O7  X2Y B   3      -0.232 -18.431  -3.165  1.00  0.00           O  
HETATM   60  O8  X2Y B   3       1.802 -19.732  -3.606  1.00  0.00           O  
HETATM   61  O2  X2Y B   3       1.378 -18.880  -1.334  1.00  0.00           O  
HETATM   62  S2  X2Y B   3      -2.665 -18.267   2.540  1.00  0.00           S  
HETATM   63  O9  X2Y B   3      -2.559 -19.697   2.258  1.00  0.00           O1-
HETATM   64  O10 X2Y B   3      -3.878 -17.646   2.006  1.00  0.00           O  
HETATM   65  O11 X2Y B   3      -2.374 -17.903   3.927  1.00  0.00           O  
HETATM   66  O4  X2Y B   3      -1.445 -17.573   1.653  1.00  0.00           O  
HETATM   67  H5  X2Y B   3       1.716 -16.638   2.299  1.00  0.00           H  
HETATM   68  H4  X2Y B   3      -0.035 -18.270   3.012  1.00  0.00           H  
HETATM   69  H3  X2Y B   3       1.667 -18.809   1.137  1.00  0.00           H  
HETATM   70  H2  X2Y B   3      -0.348 -18.034  -0.653  1.00  0.00           H  
HETATM   71  H1  X2Y B   3       0.914 -16.057  -1.208  1.00  0.00           H  
HETATM   72  H61 X2Y B   3      -0.933 -15.204   2.806  1.00  0.00           H  
HETATM   73  H63 X2Y B   3       0.681 -14.541   3.040  1.00  0.00           H  
HETATM   74  H62 X2Y B   3       0.120 -15.866   4.054  1.00  0.00           H  
HETATM   75  C5  X34 B   4       1.331 -22.078  -0.538  1.00  0.00           C  
HETATM   76  C4  X34 B   4       0.389 -23.294  -0.321  1.00  0.00           C  
HETATM   77  C3  X34 B   4      -0.780 -22.843   0.574  1.00  0.00           C  
HETATM   78  C2  X34 B   4      -0.221 -22.240   1.885  1.00  0.00           C  
HETATM   79  C1  X34 B   4       0.737 -21.072   1.565  1.00  0.00           C  
HETATM   80  O5  X34 B   4       1.771 -21.506   0.711  1.00  0.00           O  
HETATM   81  C6  X34 B   4       2.582 -22.397  -1.366  1.00  0.00           C  
HETATM   82  O3  X34 B   4      -1.717 -23.892   0.786  1.00  0.00           O  
HETATM   83  O2  X34 B   4      -1.213 -21.876   2.837  1.00  0.00           O  
HETATM   84  S1  X34 B   4       1.206 -25.833  -0.535  1.00  0.00           S  
HETATM   85  O6  X34 B   4      -0.175 -26.306  -0.648  1.00  0.00           O  
HETATM   86  O7  X34 B   4       1.824 -25.509  -1.820  1.00  0.00           O1-
HETATM   87  O8  X34 B   4       2.043 -26.662   0.335  1.00  0.00           O  
HETATM   88  O4  X34 B   4       1.108 -24.383   0.276  1.00  0.00           O  
HETATM   89  H5  X34 B   4       0.772 -21.321  -1.092  1.00  0.00           H  
HETATM   90  H4  X34 B   4      -0.034 -23.617  -1.272  1.00  0.00           H  
HETATM   91  H3  X34 B   4      -1.338 -22.058   0.053  1.00  0.00           H  
HETATM   92  H2  X34 B   4       0.376 -23.006   2.387  1.00  0.00           H  
HETATM   93  H1  X34 B   4       1.242 -20.740   2.481  1.00  0.00           H  
HETATM   94  H63 X34 B   4       3.229 -23.109  -0.852  1.00  0.00           H  
HETATM   95  H62 X34 B   4       3.164 -21.494  -1.553  1.00  0.00           H  
HETATM   96  H61 X34 B   4       2.316 -22.822  -2.334  1.00  0.00           H  
HETATM   97  HO3 X34 B   4      -2.295 -23.602   1.504  1.00  0.00           H  
HETATM   98  HO2 X34 B   4      -1.711 -21.096   2.497  1.00  0.00           H  
ENDMDL                                                                          
MODEL        5                                                                  
HETATM    1  C5  X6Y B   1       7.353 -10.795   2.979  1.00  0.00           C  
HETATM    2  C6  X6Y B   1       8.296 -10.753   4.193  1.00  0.00           C  
HETATM    3  C2  X6Y B   1       4.777 -10.929   1.669  1.00  0.00           C  
HETATM    4  C4  X6Y B   1       6.751 -12.197   2.685  1.00  0.00           C  
HETATM    5  C3  X6Y B   1       5.713 -12.112   1.537  1.00  0.00           C  
HETATM    6  C1  X6Y B   1       5.466  -9.615   2.091  1.00  0.00           C  
HETATM    7  O5  X6Y B   1       6.319  -9.820   3.187  1.00  0.00           O  
HETATM    8  O4  X6Y B   1       6.209 -12.839   3.837  1.00  0.00           O  
HETATM    9  O1  X6Y B   1       6.148  -9.089   1.026  1.00  0.00           O  
HETATM   10  O3  X6Y B   1       4.961 -13.319   1.318  1.00  0.00           O  
HETATM   11  S1  X6Y B   1       2.265 -10.702   0.850  1.00  0.00           S  
HETATM   12  O6  X6Y B   1       1.951 -12.039   1.350  1.00  0.00           O1-
HETATM   13  O7  X6Y B   1       2.109  -9.634   1.841  1.00  0.00           O  
HETATM   14  O8  X6Y B   1       1.685 -10.397  -0.459  1.00  0.00           O  
HETATM   15  O2  X6Y B   1       3.896 -10.749   0.555  1.00  0.00           O  
HETATM   16  H5  X6Y B   1       7.954 -10.498   2.116  1.00  0.00           H  
HETATM   17  H61 X6Y B   1       7.761 -10.960   5.120  1.00  0.00           H  
HETATM   18  H63 X6Y B   1       8.761  -9.772   4.292  1.00  0.00           H  
HETATM   19  H62 X6Y B   1       9.095 -11.489   4.097  1.00  0.00           H  
HETATM   20  H2  X6Y B   1       4.246 -11.290   2.502  1.00  0.00           H  
HETATM   21  H4  X6Y B   1       7.579 -12.820   2.354  1.00  0.00           H  
HETATM   22  H3  X6Y B   1       6.187 -11.837   0.644  1.00  0.00           H  
HETATM   23  H1  X6Y B   1       4.742  -8.902   2.489  1.00  0.00           H  
HETATM   24  HO4 X6Y B   1       6.211 -13.806   3.643  1.00  0.00           H  
HETATM   25  HO1 X6Y B   1       6.289  -8.158   1.239  1.00  0.00           H  
HETATM   26  C5  X6Y B   2       4.244 -13.482  -1.503  1.00  0.00           C  
HETATM   27  C6  X6Y B   2       4.482 -12.775  -2.846  1.00  0.00           C  
HETATM   28  C2  X6Y B   2       4.623 -15.546   0.496  1.00  0.00           C  
HETATM   29  C4  X6Y B   2       3.402 -14.778  -1.606  1.00  0.00           C  
HETATM   30  C3  X6Y B   2       3.270 -15.392  -0.193  1.00  0.00           C  
HETATM   31  C1  X6Y B   2       5.478 -14.249   0.409  1.00  0.00           C  
HETATM   32  O5  X6Y B   2       5.522 -13.730  -0.900  1.00  0.00           O  
HETATM   33  O4  X6Y B   2       3.925 -15.713  -2.551  1.00  0.00           O  
HETATM   34  O3  X6Y B   2       2.563 -16.643  -0.167  1.00  0.00           O  
HETATM   35  S1  X6Y B   2       5.729 -16.591   2.688  1.00  0.00           S  
HETATM   36  O6  X6Y B   2       6.397 -15.373   3.147  1.00  0.00           O1-
HETATM   37  O7  X6Y B   2       5.125 -17.375   3.766  1.00  0.00           O  
HETATM   38  O8  X6Y B   2       6.509 -17.384   1.736  1.00  0.00           O  
HETATM   39  O2  X6Y B   2       4.423 -16.041   1.824  1.00  0.00           O  
HETATM   40  H5  X6Y B   2       3.692 -12.781  -0.875  1.00  0.00           H  
HETATM   41  H61 X6Y B   2       5.098 -13.380  -3.512  1.00  0.00           H  
HETATM   42  H63 X6Y B   2       4.991 -11.822  -2.699  1.00  0.00           H  
HETATM   43  H62 X6Y B   2       3.540 -12.569  -3.357  1.00  0.00           H  
HETATM   44  H2  X6Y B   2       5.082 -16.320  -0.089  1.00  0.00           H  
HETATM   45  H4  X6Y B   2       2.410 -14.503  -1.969  1.00  0.00           H  
HETATM   46  H3  X6Y B   2       2.771 -14.707   0.465  1.00  0.00           H  
HETATM   47  H1  X6Y B   2       6.533 -14.431   0.630  1.00  0.00           H  
HETATM   48  HO4 X6Y B   2       3.203 -16.346  -2.779  1.00  0.00           H  
HETATM   49  C5  X2Y B   3       0.634 -16.460   2.029  1.00  0.00           C  
HETATM   50  C4  X2Y B   3      -0.113 -17.810   2.012  1.00  0.00           C  
HETATM   51  C3  X2Y B   3       0.586 -18.717   0.974  1.00  0.00           C  
HETATM   52  C2  X2Y B   3       0.648 -18.052  -0.392  1.00  0.00           C  
HETATM   53  C1  X2Y B   3       1.173 -16.597  -0.310  1.00  0.00           C  
HETATM   54  O5  X2Y B   3       0.576 -15.857   0.729  1.00  0.00           O  
HETATM   55  C6  X2Y B   3       0.059 -15.456   3.037  1.00  0.00           C  
HETATM   56  O3  X2Y B   3      -0.008 -20.024   0.952  1.00  0.00           O  
HETATM   57  S1  X2Y B   3       1.179 -18.554  -2.959  1.00  0.00           S  
HETATM   58  O6  X2Y B   3       1.925 -17.313  -3.172  1.00  0.00           O1-
HETATM   59  O7  X2Y B   3      -0.265 -18.427  -3.167  1.00  0.00           O  
HETATM   60  O8  X2Y B   3       1.772 -19.723  -3.608  1.00  0.00           O  
HETATM   61  O2  X2Y B   3       1.348 -18.869  -1.336  1.00  0.00           O  
HETATM   62  S2  X2Y B   3      -2.698 -18.273   2.523  1.00  0.00           S  
HETATM   63  O9  X2Y B   3      -2.586 -19.701   2.230  1.00  0.00           O1-
HETATM   64  O10 X2Y B   3      -3.912 -17.653   1.990  1.00  0.00           O  
HETATM   65  O11 X2Y B   3      -2.414 -17.921   3.915  1.00  0.00           O  
HETATM   66  O4  X2Y B   3      -1.479 -17.568   1.647  1.00  0.00           O  
HETATM   67  H5  X2Y B   3       1.679 -16.628   2.301  1.00  0.00           H  
HETATM   68  H4  X2Y B   3      -0.070 -18.263   3.007  1.00  0.00           H  
HETATM   69  H3  X2Y B   3       1.637 -18.794   1.135  1.00  0.00           H  
HETATM   70  H2  X2Y B   3      -0.378 -18.023  -0.656  1.00  0.00           H  
HETATM   71  H1  X2Y B   3       0.886 -16.047  -1.210  1.00  0.00           H  
HETATM   72  H61 X2Y B   3      -0.972 -15.197   2.798  1.00  0.00           H  
HETATM   73  H63 X2Y B   3       0.639 -14.533   3.039  1.00  0.00           H  
HETATM   74  H62 X2Y B   3       0.075 -15.859   4.050  1.00  0.00           H  
HETATM   75  C5  X34 B   4       1.360 -22.060  -0.516  1.00  0.00           C  
HETATM   76  C4  X34 B   4       0.434 -23.289  -0.309  1.00  0.00           C  
HETATM   77  C3  X34 B   4      -0.757 -22.852   0.565  1.00  0.00           C  
HETATM   78  C2  X34 B   4      -0.228 -22.235   1.883  1.00  0.00           C  
HETATM   79  C1  X34 B   4       0.720 -21.056   1.574  1.00  0.00           C  
HETATM   80  O5  X34 B   4       1.773 -21.479   0.737  1.00  0.00           O  
HETATM   81  C6  X34 B   4       2.627 -22.362  -1.326  1.00  0.00           C  
HETATM   82  O3  X34 B   4      -1.681 -23.914   0.767  1.00  0.00           O  
HETATM   83  O2  X34 B   4      -1.241 -21.881   2.816  1.00  0.00           O  
HETATM   84  S1  X34 B   4       1.295 -25.816  -0.498  1.00  0.00           S  
HETATM   85  O6  X34 B   4      -0.076 -26.312  -0.631  1.00  0.00           O  
HETATM   86  O7  X34 B   4       1.929 -25.487  -1.774  1.00  0.00           O1-
HETATM   87  O8  X34 B   4       2.130 -26.628   0.390  1.00  0.00           O  
HETATM   88  O4  X34 B   4       1.160 -24.364   0.305  1.00  0.00           O  
HETATM   89  H5  X34 B   4       0.797 -21.314  -1.081  1.00  0.00           H  
HETATM   90  H4  X34 B   4       0.031 -23.624  -1.266  1.00  0.00           H  
HETATM   91  H3  X34 B   4      -1.317 -22.078   0.031  1.00  0.00           H  
HETATM   92  H2  X34 B   4       0.371 -22.991   2.398  1.00  0.00           H  
HETATM   93  H1  X34 B   4       1.207 -20.714   2.496  1.00  0.00           H  
HETATM   94  H63 X34 B   4       3.278 -23.061  -0.801  1.00  0.00           H  
HETATM   95  H62 X34 B   4       3.196 -21.450  -1.509  1.00  0.00           H  
HETATM   96  H61 X34 B   4       2.382 -22.794  -2.297  1.00  0.00           H  
HETATM   97  HO3 X34 B   4      -2.275 -23.629   1.474  1.00  0.00           H  
HETATM   98  HO2 X34 B   4      -1.737 -21.102   2.470  1.00  0.00           H  
ENDMDL                                                                          
MODEL        6                                                                  
HETATM    1  C5  X6Y B   1       6.954 -11.277   3.803  1.00  0.00           C  
HETATM    2  C6  X6Y B   1       7.627 -11.496   5.168  1.00  0.00           C  
HETATM    3  C2  X6Y B   1       4.696 -10.960   2.020  1.00  0.00           C  
HETATM    4  C4  X6Y B   1       6.291 -12.551   3.210  1.00  0.00           C  
HETATM    5  C3  X6Y B   1       5.553 -12.203   1.899  1.00  0.00           C  
HETATM    6  C1  X6Y B   1       5.392  -9.790   2.750  1.00  0.00           C  
HETATM    7  O5  X6Y B   1       5.991 -10.219   3.946  1.00  0.00           O  
HETATM    8  O4  X6Y B   1       5.425 -13.216   4.133  1.00  0.00           O  
HETATM    9  O1  X6Y B   1       6.314  -9.211   1.919  1.00  0.00           O  
HETATM   10  O3  X6Y B   1       4.805 -13.313   1.374  1.00  0.00           O  
HETATM   11  S1  X6Y B   1       2.428 -10.339   0.798  1.00  0.00           S  
HETATM   12  O6  X6Y B   1       1.893 -11.675   1.057  1.00  0.00           O1-
HETATM   13  O7  X6Y B   1       2.189  -9.374   1.874  1.00  0.00           O  
HETATM   14  O8  X6Y B   1       2.145  -9.826  -0.543  1.00  0.00           O  
HETATM   15  O2  X6Y B   1       4.073 -10.553   0.798  1.00  0.00           O  
HETATM   16  H5  X6Y B   1       7.742 -10.953   3.119  1.00  0.00           H  
HETATM   17  H61 X6Y B   1       6.897 -11.750   5.937  1.00  0.00           H  
HETATM   18  H63 X6Y B   1       8.149 -10.595   5.493  1.00  0.00           H  
HETATM   19  H62 X6Y B   1       8.359 -12.303   5.122  1.00  0.00           H  
HETATM   20  H2  X6Y B   1       3.982 -11.362   2.679  1.00  0.00           H  
HETATM   21  H4  X6Y B   1       7.089 -13.245   2.960  1.00  0.00           H  
HETATM   22  H3  X6Y B   1       6.230 -11.842   1.184  1.00  0.00           H  
HETATM   23  H1  X6Y B   1       4.663  -9.058   3.104  1.00  0.00           H  
HETATM   24  HO4 X6Y B   1       5.081 -14.013   3.700  1.00  0.00           H  
HETATM   25  HO1 X6Y B   1       6.485  -8.335   2.287  1.00  0.00           H  
HETATM   26  C5  X6Y B   2       4.388 -13.099  -1.479  1.00  0.00           C  
HETATM   27  C6  X6Y B   2       4.760 -12.245  -2.702  1.00  0.00           C  
HETATM   28  C2  X6Y B   2       4.558 -15.408   0.252  1.00  0.00           C  
HETATM   29  C4  X6Y B   2       3.521 -14.343  -1.810  1.00  0.00           C  
HETATM   30  C3  X6Y B   2       3.265 -15.125  -0.501  1.00  0.00           C  
HETATM   31  C1  X6Y B   2       5.426 -14.135   0.422  1.00  0.00           C  
HETATM   32  O5  X6Y B   2       5.603 -13.457  -0.800  1.00  0.00           O  
HETATM   33  O4  X6Y B   2       4.096 -15.167  -2.826  1.00  0.00           O  
HETATM   34  O3  X6Y B   2       2.575 -16.361  -0.695  1.00  0.00           O  
HETATM   35  S1  X6Y B   2       5.034 -17.465   1.866  1.00  0.00           S  
HETATM   36  O6  X6Y B   2       6.435 -17.270   1.489  1.00  0.00           O1-
HETATM   37  O7  X6Y B   2       4.819 -17.626   3.304  1.00  0.00           O  
HETATM   38  O8  X6Y B   2       4.318 -18.446   1.047  1.00  0.00           O  
HETATM   39  O2  X6Y B   2       4.305 -16.013   1.523  1.00  0.00           O  
HETATM   40  H5  X6Y B   2       3.800 -12.459  -0.821  1.00  0.00           H  
HETATM   41  H61 X6Y B   2       5.422 -12.786  -3.378  1.00  0.00           H  
HETATM   42  H63 X6Y B   2       5.272 -11.332  -2.396  1.00  0.00           H  
HETATM   43  H62 X6Y B   2       3.873 -11.953  -3.264  1.00  0.00           H  
HETATM   44  H2  X6Y B   2       5.048 -16.100  -0.407  1.00  0.00           H  
HETATM   45  H4  X6Y B   2       2.564 -13.996  -2.206  1.00  0.00           H  
HETATM   46  H3  X6Y B   2       2.718 -14.530   0.201  1.00  0.00           H  
HETATM   47  H1  X6Y B   2       6.446 -14.391   0.733  1.00  0.00           H  
HETATM   48  HO4 X6Y B   2       3.388 -15.758  -3.177  1.00  0.00           H  
HETATM   49  C5  X2Y B   3       0.533 -16.461   1.384  1.00  0.00           C  
HETATM   50  C4  X2Y B   3      -0.041 -17.887   1.220  1.00  0.00           C  
HETATM   51  C3  X2Y B   3       0.770 -18.584   0.103  1.00  0.00           C  
HETATM   52  C2  X2Y B   3       0.763 -17.785  -1.186  1.00  0.00           C  
HETATM   53  C1  X2Y B   3       1.200 -16.330  -0.929  1.00  0.00           C  
HETATM   54  O5  X2Y B   3       0.497 -15.742   0.142  1.00  0.00           O  
HETATM   55  C6  X2Y B   3      -0.203 -15.618   2.434  1.00  0.00           C  
HETATM   56  O3  X2Y B   3       0.378 -19.954  -0.053  1.00  0.00           O  
HETATM   57  S1  X2Y B   3       1.400 -17.929  -3.778  1.00  0.00           S  
HETATM   58  O6  X2Y B   3       2.158 -16.677  -3.795  1.00  0.00           O1-
HETATM   59  O7  X2Y B   3      -0.035 -17.765  -4.018  1.00  0.00           O  
HETATM   60  O8  X2Y B   3       2.016 -19.007  -4.553  1.00  0.00           O  
HETATM   61  O2  X2Y B   3       1.510 -18.458  -2.206  1.00  0.00           O  
HETATM   62  S2  X2Y B   3      -2.525 -18.667   1.788  1.00  0.00           S  
HETATM   63  O9  X2Y B   3      -2.101 -20.064   1.706  1.00  0.00           O1-
HETATM   64  O10 X2Y B   3      -3.808 -18.392   1.139  1.00  0.00           O  
HETATM   65  O11 X2Y B   3      -2.400 -18.086   3.125  1.00  0.00           O  
HETATM   66  O4  X2Y B   3      -1.427 -17.831   0.863  1.00  0.00           O  
HETATM   67  H5  X2Y B   3       1.573 -16.540   1.712  1.00  0.00           H  
HETATM   68  H4  X2Y B   3       0.055 -18.422   2.174  1.00  0.00           H  
HETATM   69  H3  X2Y B   3       1.814 -18.514   0.295  1.00  0.00           H  
HETATM   70  H2  X2Y B   3      -0.261 -17.774  -1.448  1.00  0.00           H  
HETATM   71  H1  X2Y B   3       0.944 -15.703  -1.785  1.00  0.00           H  
HETATM   72  H61 X2Y B   3      -1.239 -15.440   2.145  1.00  0.00           H  
HETATM   73  H63 X2Y B   3       0.277 -14.647   2.558  1.00  0.00           H  
HETATM   74  H62 X2Y B   3      -0.207 -16.111   3.406  1.00  0.00           H  
HETATM   75  C5  X34 B   4      -0.125 -22.762  -0.241  1.00  0.00           C  
HETATM   76  C4  X34 B   4       0.402 -23.342   1.097  1.00  0.00           C  
HETATM   77  C3  X34 B   4       0.909 -22.170   1.955  1.00  0.00           C  
HETATM   78  C2  X34 B   4       1.969 -21.340   1.185  1.00  0.00           C  
HETATM   79  C1  X34 B   4       1.399 -20.912  -0.198  1.00  0.00           C  
HETATM   80  O5  X34 B   4       0.902 -22.017  -0.916  1.00  0.00           O  
HETATM   81  C6  X34 B   4      -0.648 -23.824  -1.217  1.00  0.00           C  
HETATM   82  O3  X34 B   4       1.359 -22.604   3.233  1.00  0.00           O  
HETATM   83  O2  X34 B   4       2.463 -20.267   1.987  1.00  0.00           O  
HETATM   84  S1  X34 B   4       1.248 -25.867   1.359  1.00  0.00           S  
HETATM   85  O6  X34 B   4       1.136 -25.792   2.817  1.00  0.00           O  
HETATM   86  O7  X34 B   4       0.027 -26.327   0.698  1.00  0.00           O1-
HETATM   87  O8  X34 B   4       2.464 -26.538   0.896  1.00  0.00           O  
HETATM   88  O4  X34 B   4       1.448 -24.294   0.853  1.00  0.00           O  
HETATM   89  H5  X34 B   4      -0.963 -22.094  -0.025  1.00  0.00           H  
HETATM   90  H4  X34 B   4      -0.410 -23.827   1.641  1.00  0.00           H  
HETATM   91  H3  X34 B   4       0.063 -21.505   2.160  1.00  0.00           H  
HETATM   92  H2  X34 B   4       2.831 -21.982   0.980  1.00  0.00           H  
HETATM   93  H1  X34 B   4       2.183 -20.560  -0.879  1.00  0.00           H  
HETATM   94  H63 X34 B   4       0.147 -24.500  -1.533  1.00  0.00           H  
HETATM   95  H62 X34 B   4      -1.063 -23.360  -2.113  1.00  0.00           H  
HETATM   96  H61 X34 B   4      -1.437 -24.424  -0.763  1.00  0.00           H  
HETATM   97  HO3 X34 B   4       1.816 -21.845   3.624  1.00  0.00           H  
HETATM   98  HO2 X34 B   4       3.185 -19.801   1.519  1.00  0.00           H  
ENDMDL                                                                          
MODEL        7                                                                  
HETATM    1  C5  X6Y B   1       6.536 -10.221   3.413  1.00  0.00           C  
HETATM    2  C6  X6Y B   1       7.120 -10.028   4.821  1.00  0.00           C  
HETATM    3  C2  X6Y B   1       4.410 -10.661   1.499  1.00  0.00           C  
HETATM    4  C4  X6Y B   1       6.115 -11.682   3.093  1.00  0.00           C  
HETATM    5  C3  X6Y B   1       5.444 -11.748   1.704  1.00  0.00           C  
HETATM    6  C1  X6Y B   1       4.866  -9.266   1.977  1.00  0.00           C  
HETATM    7  O5  X6Y B   1       5.421  -9.325   3.266  1.00  0.00           O  
HETATM    8  O4  X6Y B   1       5.283 -12.261   4.101  1.00  0.00           O  
HETATM    9  O1  X6Y B   1       5.760  -8.741   1.082  1.00  0.00           O  
HETATM   10  O3  X6Y B   1       4.909 -13.049   1.406  1.00  0.00           O  
HETATM   11  S1  X6Y B   1       2.187 -10.692   0.057  1.00  0.00           S  
HETATM   12  O6  X6Y B   1       1.832 -12.009   0.586  1.00  0.00           O1-
HETATM   13  O7  X6Y B   1       1.721  -9.568   0.872  1.00  0.00           O  
HETATM   14  O8  X6Y B   1       1.946 -10.535  -1.379  1.00  0.00           O  
HETATM   15  O2  X6Y B   1       3.839 -10.634   0.187  1.00  0.00           O  
HETATM   16  H5  X6Y B   1       7.321  -9.931   2.711  1.00  0.00           H  
HETATM   17  H61 X6Y B   1       6.375 -10.223   5.593  1.00  0.00           H  
HETATM   18  H63 X6Y B   1       7.478  -9.007   4.958  1.00  0.00           H  
HETATM   19  H62 X6Y B   1       7.963 -10.699   4.994  1.00  0.00           H  
HETATM   20  H2  X6Y B   1       3.709 -11.020   2.196  1.00  0.00           H  
HETATM   21  H4  X6Y B   1       7.024 -12.278   3.046  1.00  0.00           H  
HETATM   22  H3  X6Y B   1       6.118 -11.446   0.960  1.00  0.00           H  
HETATM   23  H1  X6Y B   1       4.013  -8.600   2.121  1.00  0.00           H  
HETATM   24  HO4 X6Y B   1       5.120 -13.185   3.859  1.00  0.00           H  
HETATM   25  HO1 X6Y B   1       5.771  -7.790   1.250  1.00  0.00           H  
HETATM   26  C5  X6Y B   2       4.722 -13.530  -1.445  1.00  0.00           C  
HETATM   27  C6  X6Y B   2       5.080 -12.914  -2.807  1.00  0.00           C  
HETATM   28  C2  X6Y B   2       5.057 -15.351   0.776  1.00  0.00           C  
HETATM   29  C4  X6Y B   2       4.081 -14.941  -1.532  1.00  0.00           C  
HETATM   30  C3  X6Y B   2       3.812 -15.448  -0.097  1.00  0.00           C  
HETATM   31  C1  X6Y B   2       5.719 -13.949   0.699  1.00  0.00           C  
HETATM   32  O5  X6Y B   2       5.907 -13.529  -0.633  1.00  0.00           O  
HETATM   33  O4  X6Y B   2       4.867 -15.863  -2.288  1.00  0.00           O  
HETATM   34  O3  X6Y B   2       3.272 -16.779  -0.036  1.00  0.00           O  
HETATM   35  S1  X6Y B   2       5.897 -16.575   2.972  1.00  0.00           S  
HETATM   36  O6  X6Y B   2       7.081 -15.717   2.966  1.00  0.00           O1-
HETATM   37  O7  X6Y B   2       5.289 -16.749   4.293  1.00  0.00           O  
HETATM   38  O8  X6Y B   2       6.054 -17.821   2.219  1.00  0.00           O  
HETATM   39  O2  X6Y B   2       4.758 -15.716   2.125  1.00  0.00           O  
HETATM   40  H5  X6Y B   2       3.989 -12.866  -0.987  1.00  0.00           H  
HETATM   41  H61 X6Y B   2       5.873 -13.476  -3.302  1.00  0.00           H  
HETATM   42  H63 X6Y B   2       5.425 -11.887  -2.690  1.00  0.00           H  
HETATM   43  H62 X6Y B   2       4.216 -12.898  -3.472  1.00  0.00           H  
HETATM   44  H2  X6Y B   2       5.700 -16.085   0.328  1.00  0.00           H  
HETATM   45  H4  X6Y B   2       3.131 -14.846  -2.061  1.00  0.00           H  
HETATM   46  H3  X6Y B   2       3.140 -14.785   0.412  1.00  0.00           H  
HETATM   47  H1  X6Y B   2       6.735 -13.965   1.108  1.00  0.00           H  
HETATM   48  HO4 X6Y B   2       4.285 -16.620  -2.537  1.00  0.00           H  
HETATM   49  C5  X2Y B   3       1.104 -16.627   1.878  1.00  0.00           C  
HETATM   50  C4  X2Y B   3       0.524 -18.053   1.961  1.00  0.00           C  
HETATM   51  C3  X2Y B   3       1.404 -18.990   1.094  1.00  0.00           C  
HETATM   52  C2  X2Y B   3       1.588 -18.450  -0.326  1.00  0.00           C  
HETATM   53  C1  X2Y B   3       1.918 -16.937  -0.350  1.00  0.00           C  
HETATM   54  O5  X2Y B   3       1.101 -16.188   0.515  1.00  0.00           O  
HETATM   55  C6  X2Y B   3       0.329 -15.589   2.700  1.00  0.00           C  
HETATM   56  O3  X2Y B   3       0.906 -20.326   1.269  1.00  0.00           O  
HETATM   57  S1  X2Y B   3       2.547 -19.067  -2.746  1.00  0.00           S  
HETATM   58  O6  X2Y B   3       3.237 -17.798  -2.976  1.00  0.00           O1-
HETATM   59  O7  X2Y B   3       1.143 -19.060  -3.155  1.00  0.00           O  
HETATM   60  O8  X2Y B   3       3.300 -20.237  -3.197  1.00  0.00           O  
HETATM   61  O2  X2Y B   3       2.519 -19.226  -1.091  1.00  0.00           O  
HETATM   62  S2  X2Y B   3      -2.046 -18.595   2.447  1.00  0.00           S  
HETATM   63  O9  X2Y B   3      -1.746 -20.007   2.677  1.00  0.00           O1-
HETATM   64  O10 X2Y B   3      -3.255 -18.366   1.654  1.00  0.00           O  
HETATM   65  O11 X2Y B   3      -1.960 -17.765   3.649  1.00  0.00           O  
HETATM   66  O4  X2Y B   3      -0.822 -18.052   1.464  1.00  0.00           O  
HETATM   67  H5  X2Y B   3       2.128 -16.635   2.259  1.00  0.00           H  
HETATM   68  H4  X2Y B   3       0.515 -18.378   3.008  1.00  0.00           H  
HETATM   69  H3  X2Y B   3       2.426 -18.999   1.394  1.00  0.00           H  
HETATM   70  H2  X2Y B   3       0.615 -18.592  -0.716  1.00  0.00           H  
HETATM   71  H1  X2Y B   3       1.692 -16.524  -1.336  1.00  0.00           H  
HETATM   72  H61 X2Y B   3      -0.696 -15.483   2.344  1.00  0.00           H  
HETATM   73  H63 X2Y B   3       0.803 -14.609   2.634  1.00  0.00           H  
HETATM   74  H62 X2Y B   3       0.289 -15.867   3.754  1.00  0.00           H  
HETATM   75  C5  X34 B   4      -0.465 -21.903  -0.653  1.00  0.00           C  
HETATM   76  C4  X34 B   4      -0.708 -23.236   0.102  1.00  0.00           C  
HETATM   77  C3  X34 B   4      -0.124 -23.095   1.519  1.00  0.00           C  
HETATM   78  C2  X34 B   4       1.366 -22.675   1.449  1.00  0.00           C  
HETATM   79  C1  X34 B   4       1.521 -21.391   0.599  1.00  0.00           C  
HETATM   80  O5  X34 B   4       0.935 -21.566  -0.672  1.00  0.00           O  
HETATM   81  C6  X34 B   4      -0.967 -21.911  -2.102  1.00  0.00           C  
HETATM   82  O3  X34 B   4      -0.342 -24.261   2.305  1.00  0.00           O  
HETATM   83  O2  X34 B   4       1.955 -22.550   2.742  1.00  0.00           O  
HETATM   84  S1  X34 B   4      -1.049 -25.582  -1.138  1.00  0.00           S  
HETATM   85  O6  X34 B   4      -1.622 -26.178   0.070  1.00  0.00           O  
HETATM   86  O7  X34 B   4      -2.040 -24.958  -2.015  1.00  0.00           O1-
HETATM   87  O8  X34 B   4      -0.107 -26.460  -1.836  1.00  0.00           O  
HETATM   88  O4  X34 B   4      -0.096 -24.328  -0.600  1.00  0.00           O  
HETATM   89  H5  X34 B   4      -1.011 -21.109  -0.138  1.00  0.00           H  
HETATM   90  H4  X34 B   4      -1.778 -23.422   0.199  1.00  0.00           H  
HETATM   91  H3  X34 B   4      -0.665 -22.296   2.036  1.00  0.00           H  
HETATM   92  H2  X34 B   4       1.926 -23.462   0.934  1.00  0.00           H  
HETATM   93  H1  X34 B   4       2.578 -21.182   0.402  1.00  0.00           H  
HETATM   94  H63 X34 B   4      -0.422 -22.634  -2.708  1.00  0.00           H  
HETATM   95  H62 X34 B   4      -0.840 -20.931  -2.564  1.00  0.00           H  
HETATM   96  H61 X34 B   4      -2.027 -22.162  -2.152  1.00  0.00           H  
HETATM   97  HO3 X34 B   4       0.164 -24.134   3.120  1.00  0.00           H  
HETATM   98  HO2 X34 B   4       2.918 -22.509   2.640  1.00  0.00           H  
ENDMDL                                                                          
MODEL        8                                                                  
HETATM    1  C5  X6Y B   1       7.140 -10.738   3.259  1.00  0.00           C  
HETATM    2  C6  X6Y B   1       7.935 -10.679   4.575  1.00  0.00           C  
HETATM    3  C2  X6Y B   1       4.731 -10.971   1.676  1.00  0.00           C  
HETATM    4  C4  X6Y B   1       6.653 -12.162   2.867  1.00  0.00           C  
HETATM    5  C3  X6Y B   1       5.725 -12.119   1.619  1.00  0.00           C  
HETATM    6  C1  X6Y B   1       5.310  -9.636   2.187  1.00  0.00           C  
HETATM    7  O5  X6Y B   1       6.040  -9.824   3.370  1.00  0.00           O  
HETATM    8  O4  X6Y B   1       6.051 -12.880   3.941  1.00  0.00           O  
HETATM    9  O1  X6Y B   1       6.084  -9.066   1.208  1.00  0.00           O  
HETATM   10  O3  X6Y B   1       5.029 -13.352   1.333  1.00  0.00           O  
HETATM   11  S1  X6Y B   1       2.300 -10.682   0.661  1.00  0.00           S  
HETATM   12  O6  X6Y B   1       1.902 -11.995   1.167  1.00  0.00           O1-
HETATM   13  O7  X6Y B   1       2.103  -9.584   1.610  1.00  0.00           O  
HETATM   14  O8  X6Y B   1       1.833 -10.394  -0.696  1.00  0.00           O  
HETATM   15  O2  X6Y B   1       3.947 -10.795   0.494  1.00  0.00           O  
HETATM   16  H5  X6Y B   1       7.818 -10.387   2.479  1.00  0.00           H  
HETATM   17  H61 X6Y B   1       7.318 -10.965   5.427  1.00  0.00           H  
HETATM   18  H63 X6Y B   1       8.307  -9.671   4.761  1.00  0.00           H  
HETATM   19  H62 X6Y B   1       8.795 -11.348   4.546  1.00  0.00           H  
HETATM   20  H2  X6Y B   1       4.140 -11.377   2.445  1.00  0.00           H  
HETATM   21  H4  X6Y B   1       7.568 -12.697   2.628  1.00  0.00           H  
HETATM   22  H3  X6Y B   1       6.272 -11.827   0.777  1.00  0.00           H  
HETATM   23  H1  X6Y B   1       4.513  -8.966   2.518  1.00  0.00           H  
HETATM   24  HO4 X6Y B   1       6.096 -13.834   3.695  1.00  0.00           H  
HETATM   25  HO1 X6Y B   1       6.079  -8.115   1.376  1.00  0.00           H  
HETATM   26  C5  X6Y B   2       4.282 -13.415  -1.504  1.00  0.00           C  
HETATM   27  C6  X6Y B   2       4.491 -12.643  -2.816  1.00  0.00           C  
HETATM   28  C2  X6Y B   2       4.722 -15.549   0.406  1.00  0.00           C  
HETATM   29  C4  X6Y B   2       3.474 -14.728  -1.657  1.00  0.00           C  
HETATM   30  C3  X6Y B   2       3.361 -15.393  -0.266  1.00  0.00           C  
HETATM   31  C1  X6Y B   2       5.551 -14.228   0.366  1.00  0.00           C  
HETATM   32  O5  X6Y B   2       5.569 -13.658  -0.921  1.00  0.00           O  
HETATM   33  O4  X6Y B   2       4.021 -15.610  -2.639  1.00  0.00           O  
HETATM   34  O3  X6Y B   2       2.674 -16.656  -0.282  1.00  0.00           O  
HETATM   35  S1  X6Y B   2       5.874 -16.603   2.571  1.00  0.00           S  
HETATM   36  O6  X6Y B   2       6.414 -15.369   3.141  1.00  0.00           O1-
HETATM   37  O7  X6Y B   2       5.320 -17.521   3.567  1.00  0.00           O  
HETATM   38  O8  X6Y B   2       6.748 -17.245   1.586  1.00  0.00           O  
HETATM   39  O2  X6Y B   2       4.543 -16.107   1.711  1.00  0.00           O  
HETATM   40  H5  X6Y B   2       3.712 -12.765  -0.844  1.00  0.00           H  
HETATM   41  H61 X6Y B   2       5.091 -13.216  -3.525  1.00  0.00           H  
HETATM   42  H63 X6Y B   2       5.006 -11.699  -2.634  1.00  0.00           H  
HETATM   43  H62 X6Y B   2       3.539 -12.411  -3.294  1.00  0.00           H  
HETATM   44  H2  X6Y B   2       5.185 -16.294  -0.214  1.00  0.00           H  
HETATM   45  H4  X6Y B   2       2.477 -14.461  -2.011  1.00  0.00           H  
HETATM   46  H3  X6Y B   2       2.854 -14.742   0.418  1.00  0.00           H  
HETATM   47  H1  X6Y B   2       6.612 -14.410   0.546  1.00  0.00           H  
HETATM   48  HO4 X6Y B   2       3.346 -16.302  -2.840  1.00  0.00           H  
HETATM   49  C5  X2Y B   3       0.757 -16.428   1.878  1.00  0.00           C  
HETATM   50  C4  X2Y B   3       0.049 -17.801   1.917  1.00  0.00           C  
HETATM   51  C3  X2Y B   3       0.735 -18.723   0.880  1.00  0.00           C  
HETATM   52  C2  X2Y B   3       0.781 -18.091  -0.502  1.00  0.00           C  
HETATM   53  C1  X2Y B   3       1.285 -16.631  -0.450  1.00  0.00           C  
HETATM   54  O5  X2Y B   3       0.646 -15.882   0.556  1.00  0.00           O  
HETATM   55  C6  X2Y B   3       0.172 -15.404   2.859  1.00  0.00           C  
HETATM   56  O3  X2Y B   3       0.151 -20.032   0.895  1.00  0.00           O  
HETATM   57  S1  X2Y B   3       1.342 -18.574  -3.067  1.00  0.00           S  
HETATM   58  O6  X2Y B   3       2.153 -17.370  -3.249  1.00  0.00           O1-
HETATM   59  O7  X2Y B   3      -0.089 -18.370  -3.293  1.00  0.00           O  
HETATM   60  O8  X2Y B   3       1.887 -19.759  -3.729  1.00  0.00           O  
HETATM   61  O2  X2Y B   3       1.469 -18.922  -1.445  1.00  0.00           O  
HETATM   62  S2  X2Y B   3      -2.492 -18.250   2.593  1.00  0.00           S  
HETATM   63  O9  X2Y B   3      -2.263 -19.694   2.564  1.00  0.00           O1-
HETATM   64  O10 X2Y B   3      -3.753 -17.831   1.981  1.00  0.00           O  
HETATM   65  O11 X2Y B   3      -2.226 -17.630   3.892  1.00  0.00           O  
HETATM   66  O4  X2Y B   3      -1.334 -17.625   1.583  1.00  0.00           O  
HETATM   67  H5  X2Y B   3       1.811 -16.558   2.137  1.00  0.00           H  
HETATM   68  H4  X2Y B   3       0.127 -18.219   2.927  1.00  0.00           H  
HETATM   69  H3  X2Y B   3       1.786 -18.814   1.040  1.00  0.00           H  
HETATM   70  H2  X2Y B   3      -0.246 -18.074  -0.753  1.00  0.00           H  
HETATM   71  H1  X2Y B   3       1.011 -16.108  -1.369  1.00  0.00           H  
HETATM   72  H61 X2Y B   3      -0.875 -15.194   2.639  1.00  0.00           H  
HETATM   73  H63 X2Y B   3       0.716 -14.461   2.805  1.00  0.00           H  
HETATM   74  H62 X2Y B   3       0.231 -15.762   3.887  1.00  0.00           H  
HETATM   75  C5  X34 B   4       1.076 -22.200  -0.691  1.00  0.00           C  
HETATM   76  C4  X34 B   4       0.186 -23.371  -0.185  1.00  0.00           C  
HETATM   77  C3  X34 B   4      -0.741 -22.841   0.927  1.00  0.00           C  
HETATM   78  C2  X34 B   4       0.101 -22.152   2.030  1.00  0.00           C  
HETATM   79  C1  X34 B   4       0.975 -21.045   1.410  1.00  0.00           C  
HETATM   80  O5  X34 B   4       1.792 -21.584   0.396  1.00  0.00           O  
HETATM   81  C6  X34 B   4       2.113 -22.621  -1.741  1.00  0.00           C  
HETATM   82  O3  X34 B   4      -1.606 -23.855   1.424  1.00  0.00           O  
HETATM   83  O2  X34 B   4      -0.661 -21.689   3.138  1.00  0.00           O  
HETATM   84  S1  X34 B   4       0.893 -25.941  -0.423  1.00  0.00           S  
HETATM   85  O6  X34 B   4      -0.483 -26.384  -0.191  1.00  0.00           O  
HETATM   86  O7  X34 B   4       1.206 -25.705  -1.832  1.00  0.00           O1-
HETATM   87  O8  X34 B   4       1.895 -26.743   0.282  1.00  0.00           O  
HETATM   88  O4  X34 B   4       1.002 -24.447   0.302  1.00  0.00           O  
HETATM   89  H5  X34 B   4       0.433 -21.452  -1.160  1.00  0.00           H  
HETATM   90  H4  X34 B   4      -0.445 -23.738  -0.996  1.00  0.00           H  
HETATM   91  H3  X34 B   4      -1.402 -22.082   0.496  1.00  0.00           H  
HETATM   92  H2  X34 B   4       0.797 -22.882   2.450  1.00  0.00           H  
HETATM   93  H1  X34 B   4       1.683 -20.636   2.141  1.00  0.00           H  
HETATM   94  H63 X34 B   4       2.807 -23.360  -1.342  1.00  0.00           H  
HETATM   95  H62 X34 B   4       2.701 -21.765  -2.070  1.00  0.00           H  
HETATM   96  H61 X34 B   4       1.633 -23.050  -2.620  1.00  0.00           H  
HETATM   97  HO3 X34 B   4      -2.075 -23.474   2.179  1.00  0.00           H  
HETATM   98  HO2 X34 B   4      -1.235 -20.945   2.839  1.00  0.00           H  
ENDMDL                                                                          
MODEL        9                                                                  
HETATM    1  C5  X6Y B   1       6.927 -10.667   3.636  1.00  0.00           C  
HETATM    2  C6  X6Y B   1       7.693 -10.658   4.969  1.00  0.00           C  
HETATM    3  C2  X6Y B   1       4.560 -10.840   1.980  1.00  0.00           C  
HETATM    4  C4  X6Y B   1       6.449 -12.075   3.183  1.00  0.00           C  
HETATM    5  C3  X6Y B   1       5.571 -11.966   1.910  1.00  0.00           C  
HETATM    6  C1  X6Y B   1       5.114  -9.524   2.563  1.00  0.00           C  
HETATM    7  O5  X6Y B   1       5.822  -9.756   3.753  1.00  0.00           O  
HETATM    8  O4  X6Y B   1       5.791 -12.813   4.211  1.00  0.00           O  
HETATM    9  O1  X6Y B   1       5.903  -8.903   1.631  1.00  0.00           O  
HETATM   10  O3  X6Y B   1       4.926 -13.191   1.518  1.00  0.00           O  
HETATM   11  S1  X6Y B   1       2.169 -10.657   0.849  1.00  0.00           S  
HETATM   12  O6  X6Y B   1       1.753 -10.332  -0.515  1.00  0.00           O1-
HETATM   13  O7  X6Y B   1       1.845 -12.021   1.267  1.00  0.00           O  
HETATM   14  O8  X6Y B   1       1.844  -9.631   1.842  1.00  0.00           O  
HETATM   15  O2  X6Y B   1       3.826 -10.638   0.769  1.00  0.00           O  
HETATM   16  H5  X6Y B   1       7.622 -10.289   2.882  1.00  0.00           H  
HETATM   17  H61 X6Y B   1       7.049 -10.947   5.800  1.00  0.00           H  
HETATM   18  H63 X6Y B   1       8.086  -9.665   5.186  1.00  0.00           H  
HETATM   19  H62 X6Y B   1       8.536 -11.349   4.944  1.00  0.00           H  
HETATM   20  H2  X6Y B   1       3.946 -11.277   2.714  1.00  0.00           H  
HETATM   21  H4  X6Y B   1       7.346 -12.636   2.935  1.00  0.00           H  
HETATM   22  H3  X6Y B   1       6.145 -11.610   1.109  1.00  0.00           H  
HETATM   23  H1  X6Y B   1       4.306  -8.871   2.897  1.00  0.00           H  
HETATM   24  HO4 X6Y B   1       5.867 -13.764   3.964  1.00  0.00           H  
HETATM   25  HO1 X6Y B   1       5.963  -7.981   1.912  1.00  0.00           H  
HETATM   26  C5  X6Y B   2       4.610 -13.195  -1.381  1.00  0.00           C  
HETATM   27  C6  X6Y B   2       4.987 -12.384  -2.630  1.00  0.00           C  
HETATM   28  C2  X6Y B   2       4.830 -15.371   0.521  1.00  0.00           C  
HETATM   29  C4  X6Y B   2       3.869 -14.522  -1.683  1.00  0.00           C  
HETATM   30  C3  X6Y B   2       3.580 -15.240  -0.344  1.00  0.00           C  
HETATM   31  C1  X6Y B   2       5.613 -14.031   0.634  1.00  0.00           C  
HETATM   32  O5  X6Y B   2       5.805 -13.421  -0.621  1.00  0.00           O  
HETATM   33  O4  X6Y B   2       4.572 -15.360  -2.602  1.00  0.00           O  
HETATM   34  O3  X6Y B   2       2.956 -16.525  -0.501  1.00  0.00           O  
HETATM   35  S1  X6Y B   2       5.674 -16.506   2.786  1.00  0.00           S  
HETATM   36  O6  X6Y B   2       4.970 -17.388   3.716  1.00  0.00           O1-
HETATM   37  O7  X6Y B   2       6.627 -17.191   1.911  1.00  0.00           O  
HETATM   38  O8  X6Y B   2       6.201 -15.290   3.409  1.00  0.00           O  
HETATM   39  O2  X6Y B   2       4.474 -15.960   1.776  1.00  0.00           O  
HETATM   40  H5  X6Y B   2       3.936 -12.569  -0.795  1.00  0.00           H  
HETATM   41  H61 X6Y B   2       5.724 -12.909  -3.239  1.00  0.00           H  
HETATM   42  H63 X6Y B   2       5.415 -11.420  -2.352  1.00  0.00           H  
HETATM   43  H62 X6Y B   2       4.114 -12.189  -3.254  1.00  0.00           H  
HETATM   44  H2  X6Y B   2       5.410 -16.083  -0.035  1.00  0.00           H  
HETATM   45  H4  X6Y B   2       2.922 -14.272  -2.165  1.00  0.00           H  
HETATM   46  H3  X6Y B   2       2.952 -14.632   0.276  1.00  0.00           H  
HETATM   47  H1  X6Y B   2       6.637 -14.177   0.988  1.00  0.00           H  
HETATM   48  HO4 X6Y B   2       3.923 -16.001  -2.978  1.00  0.00           H  
HETATM   49  C5  X2Y B   3       0.765 -16.633   1.421  1.00  0.00           C  
HETATM   50  C4  X2Y B   3       0.115 -18.019   1.219  1.00  0.00           C  
HETATM   51  C3  X2Y B   3       0.970 -18.796   0.188  1.00  0.00           C  
HETATM   52  C2  X2Y B   3       1.181 -18.007  -1.095  1.00  0.00           C  
HETATM   53  C1  X2Y B   3       1.597 -16.541  -0.829  1.00  0.00           C  
HETATM   54  O5  X2Y B   3       0.821 -15.929   0.174  1.00  0.00           O  
HETATM   55  C6  X2Y B   3       0.024 -15.741   2.425  1.00  0.00           C  
HETATM   56  O3  X2Y B   3       0.397 -20.093  -0.034  1.00  0.00           O  
HETATM   57  S1  X2Y B   3       2.071 -18.273  -3.600  1.00  0.00           S  
HETATM   58  O6  X2Y B   3       2.756 -16.979  -3.618  1.00  0.00           O1-
HETATM   59  O7  X2Y B   3       0.663 -18.211  -3.993  1.00  0.00           O  
HETATM   60  O8  X2Y B   3       2.824 -19.352  -4.240  1.00  0.00           O  
HETATM   61  O2  X2Y B   3       2.047 -18.706  -1.996  1.00  0.00           O  
HETATM   62  S2  X2Y B   3      -2.476 -18.545   1.576  1.00  0.00           S  
HETATM   63  O9  X2Y B   3      -2.381 -17.968   2.917  1.00  0.00           O1-
HETATM   64  O10 X2Y B   3      -2.218 -19.984   1.529  1.00  0.00           O  
HETATM   65  O11 X2Y B   3      -3.667 -18.131   0.831  1.00  0.00           O  
HETATM   66  O4  X2Y B   3      -1.223 -17.859   0.729  1.00  0.00           O  
HETATM   67  H5  X2Y B   3       1.781 -16.770   1.803  1.00  0.00           H  
HETATM   68  H4  X2Y B   3       0.077 -18.544   2.181  1.00  0.00           H  
HETATM   69  H3  X2Y B   3       1.990 -18.877   0.490  1.00  0.00           H  
HETATM   70  H2  X2Y B   3       0.198 -18.009  -1.490  1.00  0.00           H  
HETATM   71  H1  X2Y B   3       1.398 -15.931  -1.713  1.00  0.00           H  
HETATM   72  H61 X2Y B   3      -0.986 -15.513   2.084  1.00  0.00           H  
HETATM   73  H63 X2Y B   3       0.547 -14.795   2.564  1.00  0.00           H  
HETATM   74  H62 X2Y B   3      -0.054 -16.222   3.400  1.00  0.00           H  
HETATM   75  C5  X34 B   4      -0.534 -22.724  -0.579  1.00  0.00           C  
HETATM   76  C4  X34 B   4      -0.257 -23.494   0.741  1.00  0.00           C  
HETATM   77  C3  X34 B   4       0.376 -22.513   1.756  1.00  0.00           C  
HETATM   78  C2  X34 B   4       1.628 -21.838   1.133  1.00  0.00           C  
HETATM   79  C1  X34 B   4       1.264 -21.183  -0.224  1.00  0.00           C  
HETATM   80  O5  X34 B   4       0.664 -22.114  -1.091  1.00  0.00           O  
HETATM   81  C6  X34 B   4      -1.125 -23.595  -1.695  1.00  0.00           C  
HETATM   82  O3  X34 B   4       0.628 -23.123   3.023  1.00  0.00           O  
HETATM   83  O2  X34 B   4       2.302 -20.946   2.015  1.00  0.00           O  
HETATM   84  S1  X34 B   4       0.082 -26.145   0.846  1.00  0.00           S  
HETATM   85  O6  X34 B   4      -0.172 -26.149   2.287  1.00  0.00           O  
HETATM   86  O7  X34 B   4      -1.122 -26.323   0.035  1.00  0.00           O1-
HETATM   87  O8  X34 B   4       1.201 -27.000   0.443  1.00  0.00           O  
HETATM   88  O4  X34 B   4       0.614 -24.607   0.497  1.00  0.00           O  
HETATM   89  H5  X34 B   4      -1.267 -21.940  -0.373  1.00  0.00           H  
HETATM   90  H4  X34 B   4      -1.207 -23.856   1.139  1.00  0.00           H  
HETATM   91  H3  X34 B   4      -0.361 -21.730   1.956  1.00  0.00           H  
HETATM   92  H2  X34 B   4       2.357 -22.620   0.903  1.00  0.00           H  
HETATM   93  H1  X34 B   4       2.156 -20.893  -0.791  1.00  0.00           H  
HETATM   94  H63 X34 B   4      -0.426 -24.372  -2.006  1.00  0.00           H  
HETATM   95  H62 X34 B   4      -1.364 -22.994  -2.573  1.00  0.00           H  
HETATM   96  H61 X34 B   4      -2.045 -24.082  -1.370  1.00  0.00           H  
HETATM   97  HO3 X34 B   4       0.870 -22.430   3.655  1.00  0.00           H  
HETATM   98  HO2 X34 B   4       2.689 -21.467   2.734  1.00  0.00           H  
ENDMDL                                                                          
MODEL       10                                                                  
HETATM    1  C5  X6Y B   1       6.725 -10.123   3.225  1.00  0.00           C  
HETATM    2  C6  X6Y B   1       7.444  -9.856   4.558  1.00  0.00           C  
HETATM    3  C2  X6Y B   1       4.431 -10.707   1.562  1.00  0.00           C  
HETATM    4  C4  X6Y B   1       6.347 -11.613   2.991  1.00  0.00           C  
HETATM    5  C3  X6Y B   1       5.509 -11.762   1.696  1.00  0.00           C  
HETATM    6  C1  X6Y B   1       4.884  -9.283   1.941  1.00  0.00           C  
HETATM    7  O5  X6Y B   1       5.564  -9.278   3.170  1.00  0.00           O  
HETATM    8  O4  X6Y B   1       5.700 -12.221   4.107  1.00  0.00           O  
HETATM    9  O1  X6Y B   1       5.665  -8.765   0.942  1.00  0.00           O  
HETATM   10  O3  X6Y B   1       4.953 -13.073   1.488  1.00  0.00           O  
HETATM   11  S1  X6Y B   1       2.073 -10.857   0.358  1.00  0.00           S  
HETATM   12  O6  X6Y B   1       1.685 -10.781  -1.051  1.00  0.00           O1-
HETATM   13  O7  X6Y B   1       1.815 -12.155   0.982  1.00  0.00           O  
HETATM   14  O8  X6Y B   1       1.655  -9.709   1.165  1.00  0.00           O  
HETATM   15  O2  X6Y B   1       3.727 -10.746   0.317  1.00  0.00           O  
HETATM   16  H5  X6Y B   1       7.421  -9.824   2.438  1.00  0.00           H  
HETATM   17  H61 X6Y B   1       6.791 -10.052   5.409  1.00  0.00           H  
HETATM   18  H63 X6Y B   1       7.769  -8.817   4.624  1.00  0.00           H  
HETATM   19  H62 X6Y B   1       8.328 -10.486   4.662  1.00  0.00           H  
HETATM   20  H2  X6Y B   1       3.819 -11.062   2.341  1.00  0.00           H  
HETATM   21  H4  X6Y B   1       7.285 -12.148   2.857  1.00  0.00           H  
HETATM   22  H3  X6Y B   1       6.087 -11.498   0.863  1.00  0.00           H  
HETATM   23  H1  X6Y B   1       4.027  -8.639   2.149  1.00  0.00           H  
HETATM   24  HO4 X6Y B   1       5.840 -13.192   4.017  1.00  0.00           H  
HETATM   25  HO1 X6Y B   1       5.659  -7.809   1.074  1.00  0.00           H  
HETATM   26  C5  X6Y B   2       4.736 -13.555  -1.385  1.00  0.00           C  
HETATM   27  C6  X6Y B   2       5.106 -12.925  -2.737  1.00  0.00           C  
HETATM   28  C2  X6Y B   2       5.024 -15.383   0.845  1.00  0.00           C  
HETATM   29  C4  X6Y B   2       4.098 -14.962  -1.491  1.00  0.00           C  
HETATM   30  C3  X6Y B   2       3.800 -15.471  -0.062  1.00  0.00           C  
HETATM   31  C1  X6Y B   2       5.719 -13.993   0.764  1.00  0.00           C  
HETATM   32  O5  X6Y B   2       5.915 -13.573  -0.567  1.00  0.00           O  
HETATM   33  O4  X6Y B   2       4.899 -15.883  -2.233  1.00  0.00           O  
HETATM   34  O3  X6Y B   2       3.253 -16.800  -0.020  1.00  0.00           O  
HETATM   35  S1  X6Y B   2       5.852 -16.093   3.282  1.00  0.00           S  
HETATM   36  O6  X6Y B   2       5.170 -16.869   4.317  1.00  0.00           O1-
HETATM   37  O7  X6Y B   2       6.877 -16.838   2.549  1.00  0.00           O  
HETATM   38  O8  X6Y B   2       6.279 -14.764   3.724  1.00  0.00           O  
HETATM   39  O2  X6Y B   2       4.659 -15.789   2.168  1.00  0.00           O  
HETATM   40  H5  X6Y B   2       4.002 -12.893  -0.924  1.00  0.00           H  
HETATM   41  H61 X6Y B   2       5.897 -13.487  -3.235  1.00  0.00           H  
HETATM   42  H63 X6Y B   2       5.459 -11.902  -2.606  1.00  0.00           H  
HETATM   43  H62 X6Y B   2       4.245 -12.893  -3.406  1.00  0.00           H  
HETATM   44  H2  X6Y B   2       5.665 -16.134   0.424  1.00  0.00           H  
HETATM   45  H4  X6Y B   2       3.159 -14.865  -2.038  1.00  0.00           H  
HETATM   46  H3  X6Y B   2       3.118 -14.808   0.433  1.00  0.00           H  
HETATM   47  H1  X6Y B   2       6.738 -14.014   1.160  1.00  0.00           H  
HETATM   48  HO4 X6Y B   2       4.321 -16.639  -2.496  1.00  0.00           H  
HETATM   49  C5  X2Y B   3       1.033 -16.644   1.837  1.00  0.00           C  
HETATM   50  C4  X2Y B   3       0.450 -18.070   1.905  1.00  0.00           C  
HETATM   51  C3  X2Y B   3       1.350 -19.007   1.059  1.00  0.00           C  
HETATM   52  C2  X2Y B   3       1.573 -18.467  -0.354  1.00  0.00           C  
HETATM   53  C1  X2Y B   3       1.907 -16.955  -0.368  1.00  0.00           C  
HETATM   54  O5  X2Y B   3       1.069 -16.204   0.475  1.00  0.00           O  
HETATM   55  C6  X2Y B   3       0.238 -15.606   2.639  1.00  0.00           C  
HETATM   56  O3  X2Y B   3       0.840 -20.342   1.211  1.00  0.00           O  
HETATM   57  S1  X2Y B   3       2.593 -19.088  -2.748  1.00  0.00           S  
HETATM   58  O6  X2Y B   3       3.285 -17.817  -2.962  1.00  0.00           O1-
HETATM   59  O7  X2Y B   3       1.199 -19.085  -3.193  1.00  0.00           O  
HETATM   60  O8  X2Y B   3       3.360 -20.257  -3.178  1.00  0.00           O  
HETATM   61  O2  X2Y B   3       2.522 -19.245  -1.094  1.00  0.00           O  
HETATM   62  S2  X2Y B   3      -2.133 -18.597   2.336  1.00  0.00           S  
HETATM   63  O9  X2Y B   3      -2.066 -17.761   3.534  1.00  0.00           O1-
HETATM   64  O10 X2Y B   3      -1.845 -20.010   2.581  1.00  0.00           O  
HETATM   65  O11 X2Y B   3      -3.322 -18.370   1.514  1.00  0.00           O  
HETATM   66  O4  X2Y B   3      -0.883 -18.069   1.376  1.00  0.00           O  
HETATM   67  H5  X2Y B   3       2.047 -16.655   2.246  1.00  0.00           H  
HETATM   68  H4  X2Y B   3       0.414 -18.394   2.952  1.00  0.00           H  
HETATM   69  H3  X2Y B   3       2.363 -19.017   1.388  1.00  0.00           H  
HETATM   70  H2  X2Y B   3       0.610 -18.607  -0.769  1.00  0.00           H  
HETATM   71  H1  X2Y B   3       1.707 -16.541  -1.359  1.00  0.00           H  
HETATM   72  H61 X2Y B   3      -0.777 -15.498   2.254  1.00  0.00           H  
HETATM   73  H63 X2Y B   3       0.715 -14.627   2.587  1.00  0.00           H  
HETATM   74  H62 X2Y B   3       0.169 -15.885   3.690  1.00  0.00           H  
HETATM   75  C5  X34 B   4      -0.454 -21.941  -0.741  1.00  0.00           C  
HETATM   76  C4  X34 B   4      -0.733 -23.259   0.033  1.00  0.00           C  
HETATM   77  C3  X34 B   4      -0.188 -23.106   1.472  1.00  0.00           C  
HETATM   78  C2  X34 B   4       1.307 -22.687   1.423  1.00  0.00           C  
HETATM   79  C1  X34 B   4       1.485 -21.410   0.570  1.00  0.00           C  
HETATM   80  O5  X34 B   4       0.945 -21.602  -0.717  1.00  0.00           O  
HETATM   81  C6  X34 B   4      -0.903 -21.977  -2.207  1.00  0.00           C  
HETATM   82  O3  X34 B   4      -0.431 -24.259   2.279  1.00  0.00           O  
HETATM   83  O2  X34 B   4       1.920 -22.554   2.702  1.00  0.00           O  
HETATM   84  S1  X34 B   4      -1.065 -25.627  -1.166  1.00  0.00           S  
HETATM   85  O6  X34 B   4      -1.690 -26.178   0.038  1.00  0.00           O  
HETATM   86  O7  X34 B   4      -2.015 -25.017  -2.095  1.00  0.00           O1-
HETATM   87  O8  X34 B   4      -0.112 -26.538  -1.803  1.00  0.00           O  
HETATM   88  O4  X34 B   4      -0.115 -24.370  -0.632  1.00  0.00           O  
HETATM   89  H5  X34 B   4      -1.017 -21.136  -0.262  1.00  0.00           H  
HETATM   90  H4  X34 B   4      -1.814 -23.416   0.073  1.00  0.00           H  
HETATM   91  H3  X34 B   4      -0.747 -22.297   1.948  1.00  0.00           H  
HETATM   92  H2  X34 B   4       1.867 -23.476   0.913  1.00  0.00           H  
HETATM   93  H1  X34 B   4       2.549 -21.201   0.411  1.00  0.00           H  
HETATM   94  H63 X34 B   4      -0.337 -22.713  -2.778  1.00  0.00           H  
HETATM   95  H62 X34 B   4      -0.757 -21.007  -2.682  1.00  0.00           H  
HETATM   96  H61 X34 B   4      -1.961 -22.228  -2.291  1.00  0.00           H  
HETATM   97  HO3 X34 B   4      -0.235 -24.036   3.202  1.00  0.00           H  
HETATM   98  HO2 X34 B   4       1.919 -23.424   3.129  1.00  0.00           H  
ENDMDL                                                                          
CONECT    1    2    4    7   16                                                 
CONECT    2    1   17   18   19                                                 
CONECT    3    5    6   15   20                                                 
CONECT    4    1    5    8   21                                                 
CONECT    5    3    4   10   22                                                 
CONECT    6    3    7    9   23                                                 
CONECT    7    1    6                                                           
CONECT    8    4   24                                                           
CONECT    9    6   25                                                           
CONECT   10    5   31                                                           
CONECT   11   12   13   14   15                                                 
CONECT   12   11                                                                
CONECT   13   11                                                                
CONECT   14   11                                                                
CONECT   15    3   11                                                           
CONECT   16    1                                                                
CONECT   17    2                                                                
CONECT   18    2                                                                
CONECT   19    2                                                                
CONECT   20    3                                                                
CONECT   21    4                                                                
CONECT   22    5                                                                
CONECT   23    6                                                                
CONECT   24    8                                                                
CONECT   25    9                                                                
CONECT   26   27   29   32   40                                                 
CONECT   27   26   41   42   43                                                 
CONECT   28   30   31   39   44                                                 
CONECT   29   26   30   33   45                                                 
CONECT   30   28   29   34   46                                                 
CONECT   31   10   28   32   47                                                 
CONECT   32   26   31                                                           
CONECT   33   29   48                                                           
CONECT   34   30   53                                                           
CONECT   35   36   37   38   39                                                 
CONECT   36   35                                                                
CONECT   37   35                                                                
CONECT   38   35                                                                
CONECT   39   28   35                                                           
CONECT   40   26                                                                
CONECT   41   27                                                                
CONECT   42   27                                                                
CONECT   43   27                                                                
CONECT   44   28                                                                
CONECT   45   29                                                                
CONECT   46   30                                                                
CONECT   47   31                                                                
CONECT   48   33                                                                
CONECT   49   50   54   55   67                                                 
CONECT   50   49   51   66   68                                                 
CONECT   51   50   52   56   69                                                 
CONECT   52   51   53   61   70                                                 
CONECT   53   34   52   54   71                                                 
CONECT   54   49   53                                                           
CONECT   55   49   72   73   74                                                 
CONECT   56   51   79                                                           
CONECT   57   58   59   60   61                                                 
CONECT   58   57                                                                
CONECT   59   57                                                                
CONECT   60   57                                                                
CONECT   61   52   57                                                           
CONECT   62   63   64   65   66                                                 
CONECT   63   62                                                                
CONECT   64   62                                                                
CONECT   65   62                                                                
CONECT   66   50   62                                                           
CONECT   67   49                                                                
CONECT   68   50                                                                
CONECT   69   51                                                                
CONECT   70   52                                                                
CONECT   71   53                                                                
CONECT   72   55                                                                
CONECT   73   55                                                                
CONECT   74   55                                                                
CONECT   75   76   80   81   89                                                 
CONECT   76   75   77   88   90                                                 
CONECT   77   76   78   82   91                                                 
CONECT   78   77   79   83   92                                                 
CONECT   79   56   78   80   93                                                 
CONECT   80   75   79                                                           
CONECT   81   75   94   95   96                                                 
CONECT   82   77   97                                                           
CONECT   83   78   98                                                           
CONECT   84   85   86   87   88                                                 
CONECT   85   84                                                                
CONECT   86   84                                                                
CONECT   87   84                                                                
CONECT   88   76   84                                                           
CONECT   89   75                                                                
CONECT   90   76                                                                
CONECT   91   77                                                                
CONECT   92   78                                                                
CONECT   93   79                                                                
CONECT   94   81                                                                
CONECT   95   81                                                                
CONECT   96   81                                                                
CONECT   97   82                                                                
CONECT   98   83                                                                
MASTER       71    0    4    0    0    0    0    6   61    0   98    0          
END