*HEADER    RNA                                     30-APR-04   1T4X              
*TITLE     THE FIRST LEFT-HANDED RNA STRUCTURE OF (CGCGCG)2, Z-RNA,              
*TITLE    2 NMR, 12 STRUCTURES, DETERMINED IN HIGH SALT                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RNA (5'-R(*CP*GP*CP*GP*CP*G)-3');                          
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: AUTOMATED SOLID-PHASE SYNTHESIS USING 2'-O-           
*SOURCE   4 TBDMSI-PROTECTED RIBONUCLEOSIDE PHOSHORAMIDITES.                     
*KEYWDS    LEFT-HANDED RNA DUPLEX, Z-RNA                                         
*EXPDTA    NMR, 12 STRUCTURES                                                    
*AUTHOR    M.POPENDA, J.MILECKI, R.W.ADAMIAK                                     
*REVDAT   3   14-SEP-04 1T4X    1       TRUNCATED CONSTRAINT FILE UPDATE
*REVDAT   2   10-AUG-04 1T4X    1       JRNL                                     
*REVDAT   1   03-AUG-04 1T4X    0                                                


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assign (resid  11 and name H4' ) (resid  12 and name H1'  )  4.00  0.58  0.58
assign (resid  11 and name H4' ) (resid  12 and name H3'  )  4.01  0.57  0.57
assign (resid  11 and name H5'') (resid  12 and name H1'  )  3.65  0.52  0.52
assign (resid  11 and name H5' ) (resid  12 and name H3'  )  4.83  0.70  0.70
assign (resid  11 and name H5' ) (resid  12 and name H5'' )  4.82  0.69  0.69
assign (resid  11 and name H5' ) (resid  12 and name H5'  )  5.02  0.71  0.71
assign (resid  11 and name H5' ) (resid  12 and name H8   )  4.57  0.65  0.65
assign (resid  11 and name H5'') (resid  12 and name H8   )  4.98  0.72  0.72
assign (resid  11 and name H6  ) (resid  12 and name H8   )  5.10  0.72  0.72
assign (resid  12 and name H1' ) (resid  12 and name H8   )  2.64  0.38  0.38
assign (resid  12 and name H2' ) (resid  12 and name H1'  )  3.08  0.43  0.43
assign (resid  12 and name H2' ) (resid  12 and name H8   )  3.89  0.56  0.56
assign (resid  12 and name H3' ) (resid  12 and name H1'  )  3.67  0.53  0.53
assign (resid  12 and name H4' ) (resid  12 and name H2'  )  3.73  0.53  0.53
assign (resid  12 and name H4' ) (resid  12 and name H3'  )  3.31  0.48  0.48
assign (resid  12 and name H5' ) (resid  12 and name H3'  )  2.91  0.90  0.90

dihs.tbl
assign (resid 1 and name O5') (resid 1 and name C5')
       (resid 1 and name C4') (resid 1 and name C3')
       1  50.00  10.0 2
assign (resid 1 and name C5') (resid 1 and name C4')
       (resid 1 and name C3') (resid 1 and name O3')
       1 155.00  10.0 2
assign (resid 1 and name C4') (resid 1 and name C3')
       (resid 1 and name C2') (resid 1 and name C1')
       1 -35.00  10.0 2
assign (resid 1 and name C3') (resid 1 and name C2')
       (resid 1 and name C1') (resid 1 and name O4')
       1  23.40  10.0 2
assign (resid 1 and name O4') (resid 1 and name C1')
       (resid 1 and name N1) (resid 1 and name C2)
       1 -160.00  10.0 2
assign (resid 1 and name C4') (resid 1 and name C3')
       (resid 1 and name O3') (resid 2 and name P  )
       1 -80.00  10.0 2
assign (resid 1 and name C3') (resid 1 and name O3')
       (resid 2 and name P  ) (resid 2 and name O5')
       1  80.00  10.0 2
assign (resid 1 and name O3') (resid 2 and name P  )
       (resid 2 and name O5') (resid 2 and name C5')
       1  60.00  20.0 2
assign (resid 2 and name P  ) (resid 2 and name O5')
       (resid 2 and name C5') (resid 2 and name C4')
       1 -167.50  10.0 2
assign (resid 2 and name O5') (resid 2 and name C5')
       (resid 2 and name C4') (resid 2 and name C3')
       1 170.00  20.0 2
assign (resid 2 and name C5') (resid 2 and name C4')
       (resid 2 and name C3') (resid 2 and name O3')
       1  77.50  10.0 2
assign (resid 2 and name C4') (resid 2 and name C3')
       (resid 2 and name C2') (resid 2 and name C1')
       1  32.90  10.0 2
assign (resid 2 and name C3') (resid 2 and name C2')
       (resid 2 and name C1') (resid 2 and name O4')
       1  -9.20  10.0 2
assign (resid 2 and name O4') (resid 2 and name C1')
       (resid 2 and name N9) (resid 2 and name C4)
       1  55.00  15.0 2
assign (resid 2 and name C4') (resid 2 and name C3')
       (resid 2 and name O3') (resid 3 and name P  )
       1 -131.00  41.0 2
assign (resid 2 and name C3') (resid 2 and name O3')
       (resid 3 and name P  ) (resid 3 and name O5')
       1 -10.00  80.0 2
assign (resid 2 and name O3') (resid 3 and name P  )
       (resid 3 and name O5') (resid 3 and name C5')
       1 -160.00  50.0 2
assign (resid 3 and name P  ) (resid 3 and name O5')
       (resid 3 and name C5') (resid 3 and name C4')
       1 166.00  34.0 2
assign (resid 3 and name O5') (resid 3 and name C5')
       (resid 3 and name C4') (resid 3 and name C3')
       1  60.00  10.0 2
assign (resid 3 and name C5') (resid 3 and name C4')
       (resid 3 and name C3') (resid 3 and name O3')
       1 133.60  10.0 2
assign (resid 3 and name C4') (resid 3 and name C3')
       (resid 3 and name C2') (resid 3 and name C1')
       1 -26.40  10.0 2
assign (resid 3 and name C3') (resid 3 and name C2')
       (resid 3 and name C1') (resid 3 and name O4')
       1  40.00  10.0 2
assign (resid 3 and name O4') (resid 3 and name C1')
       (resid 3 and name N1) (resid 3 and name C2)
       1 -150.00  10.0 2
assign (resid 3 and name C4') (resid 3 and name C3')
       (resid 3 and name O3') (resid 4 and name P  )
       1 -75.00  10.0 2
assign (resid 3 and name C3') (resid 3 and name O3')
       (resid 4 and name P  ) (resid 4 and name O5')
       1  80.00  10.0 2
assign (resid 3 and name O3') (resid 4 and name P  )
       (resid 4 and name O5') (resid 4 and name C5')
       1  75.00  15.0 2
assign (resid 4 and name P  ) (resid 4 and name O5')
       (resid 4 and name C5') (resid 4 and name C4')
       1 -167.50  10.0 2
assign (resid 4 and name O5') (resid 4 and name C5')
       (resid 4 and name C4') (resid 4 and name C3')
       1 160.00  10.0 2
assign (resid 4 and name C5') (resid 4 and name C4')
       (resid 4 and name C3') (resid 4 and name O3')
       1  85.00  10.0 2
assign (resid 4 and name C4') (resid 4 and name C3')
       (resid 4 and name C2') (resid 4 and name C1')
       1  28.80  10.0 2
assign (resid 4 and name C3') (resid 4 and name C2')
       (resid 4 and name C1') (resid 4 and name O4')
       1  -8.60  10.0 2
assign (resid 4 and name O4') (resid 4 and name C1')
       (resid 4 and name N9) (resid 4 and name C4)
       1  55.00  10.0 2
assign (resid 4 and name C4') (resid 4 and name C3')
       (resid 4 and name O3') (resid 5 and name P  )
       1 -126.00  46.0 2
assign (resid 4 and name C3') (resid 4 and name O3')
       (resid 5 and name P  ) (resid 5 and name O5')
       1 -10.00  90.0 2
assign (resid 4 and name O3') (resid 5 and name P  )
       (resid 5 and name O5') (resid 5 and name C5')
       1 -160.00  70.0 2
assign (resid 5 and name P  ) (resid 5 and name O5')
       (resid 5 and name C5') (resid 5 and name C4')
       1 176.00  44.0 2
assign (resid 5 and name O5') (resid 5 and name C5')
       (resid 5 and name C4') (resid 5 and name C3')
       1  55.00  15.0 2
assign (resid 5 and name C5') (resid 5 and name C4')
       (resid 5 and name C3') (resid 5 and name O3')
       1 145.00  15.0 2
assign (resid 5 and name C4') (resid 5 and name C3')
       (resid 5 and name C2') (resid 5 and name C1')
       1 -40.00  10.0 2
assign (resid 5 and name C3') (resid 5 and name C2')
       (resid 5 and name C1') (resid 5 and name O4')
       1  30.00  10.0 2
assign (resid 5 and name O4') (resid 5 and name C1')
       (resid 5 and name N1) (resid 5 and name C2)
       1 -135.00  15.0 2
assign (resid 5 and name C4') (resid 5 and name C3')
       (resid 5 and name O3') (resid 6 and name P  )
       1 -80.00  10.0 2
assign (resid 5 and name C3') (resid 5 and name O3')
       (resid 6 and name P  ) (resid 6 and name O5')
       1  65.00  15.0 2
assign (resid 5 and name O3') (resid 6 and name P  )
       (resid 6 and name O5') (resid 6 and name C5')
       1 150.00  90.0 2
assign (resid 6 and name P  ) (resid 6 and name O5')
       (resid 6 and name C5') (resid 6 and name C4')
       1 180.00  15.0 2
assign (resid 6 and name O5') (resid 6 and name C5')
       (resid 6 and name C4') (resid 6 and name C3')
       1 120.00  70.0 2
assign (resid 6 and name C5') (resid 6 and name C4')
       (resid 6 and name C3') (resid 6 and name O3')
       1  82.50  10.0 2
assign (resid 6 and name C4') (resid 6 and name C3')
       (resid 6 and name C2') (resid 6 and name C1')
       1  29.50  10.0 2
assign (resid 6 and name C3') (resid 6 and name C2')
       (resid 6 and name C1') (resid 6 and name O4')
       1  -4.20  15.0 2
assign (resid 6 and name O4') (resid 6 and name C1')
       (resid 6 and name N9) (resid 6 and name C4)
       1  45.00  15.0 2
assign (resid 7 and name O5') (resid 7 and name C5')
       (resid 7 and name C4') (resid 7 and name C3')
       1  50.00  10.0 2
assign (resid 7 and name C5') (resid 7 and name C4')
       (resid 7 and name C3') (resid 7 and name O3')
       1 155.00  10.0 2
assign (resid 7 and name C4') (resid 7 and name C3')
       (resid 7 and name C2') (resid 7 and name C1')
       1 -35.00  10.0 2
assign (resid 7 and name C3') (resid 7 and name C2')
       (resid 7 and name C1') (resid 7 and name O4')
       1  23.40  10.0 2
assign (resid 7 and name O4') (resid 7 and name C1')
       (resid 7 and name N1) (resid 7 and name C2)
       1 -160.00  10.0 2
assign (resid 7 and name C4') (resid 7 and name C3')
       (resid 7 and name O3') (resid 8 and name P  )
       1 -80.00  10.0 2
assign (resid 7 and name C3') (resid 7 and name O3')
       (resid 8 and name P  ) (resid 8 and name O5')
       1  80.00  10.0 2
assign (resid 7 and name O3') (resid 8 and name P  )
       (resid 8 and name O5') (resid 8 and name C5')
       1  60.00  20.0 2
assign (resid 8 and name P  ) (resid 8 and name O5')
       (resid 8 and name C5') (resid 8 and name C4')
       1 -167.50  10.0 2
assign (resid 8 and name O5') (resid 8 and name C5')
       (resid 8 and name C4') (resid 8 and name C3')
       1 170.00  20.0 2
assign (resid 8 and name C5') (resid 8 and name C4')
       (resid 8 and name C3') (resid 8 and name O3')
       1  77.50  10.0 2
assign (resid 8 and name C4') (resid 8 and name C3')
       (resid 8 and name C2') (resid 8 and name C1')
       1  32.90  10.0 2
assign (resid 8 and name C3') (resid 8 and name C2')
       (resid 8 and name C1') (resid 8 and name O4')
       1  -9.20  10.0 2
assign (resid 8 and name O4') (resid 8 and name C1')
       (resid 8 and name N9) (resid 8 and name C4)
       1  55.00  15.0 2
assign (resid 8 and name C4') (resid 8 and name C3')
       (resid 8 and name O3') (resid 9 and name P  )
       1 -131.00  41.0 2
assign (resid 8 and name C3') (resid 8 and name O3')
       (resid 9 and name P  ) (resid 9 and name O5')
       1 -10.00  80.0 2
assign (resid 8 and name O3') (resid 9 and name P  )
       (resid 9 and name O5') (resid 9 and name C5')
       1 -160.00  50.0 2
assign (resid 9 and name P  ) (resid 9 and name O5')
       (resid 9 and name C5') (resid 9 and name C4')
       1 166.00  34.0 2
assign (resid 9 and name O5') (resid 9 and name C5')
       (resid 9 and name C4') (resid 9 and name C3')
       1  60.00  10.0 2
assign (resid 9 and name C5') (resid 9 and name C4')
       (resid 9 and name C3') (resid 9 and name O3')
       1 133.60  10.0 2
assign (resid 9 and name C4') (resid 9 and name C3')
       (resid 9 and name C2') (resid 9 and name C1')
       1 -26.40  10.0 2
assign (resid 9 and name C3') (resid 9 and name C2')
       (resid 9 and name C1') (resid 9 and name O4')
       1  40.00  10.0 2
assign (resid 9 and name O4') (resid 9 and name C1')
       (resid 9 and name N1) (resid 9 and name C2)
       1 -150.00  10.0 2
assign (resid 9 and name C4') (resid 9 and name C3')
       (resid 9 and name O3') (resid 10 and name P  )
       1 -75.00  10.0 2
assign (resid 9 and name C3') (resid 9 and name O3')
       (resid 10 and name P  ) (resid 10 and name O5')
       1  80.00  10.0 2
assign (resid 9 and name O3') (resid 10 and name P  )
       (resid 10 and name O5') (resid 10 and name C5')
       1  75.00  15.0 2
assign (resid 10 and name P  ) (resid 10 and name O5')
       (resid 10 and name C5') (resid 10 and name C4')
       1 -167.50  10.0 2
assign (resid 10 and name O5') (resid 10 and name C5')
       (resid 10 and name C4') (resid 10 and name C3')
       1 160.00  10.0 2
assign (resid 10 and name C5') (resid 10 and name C4')
       (resid 10 and name C3') (resid 10 and name O3')
       1  85.00  10.0 2
assign (resid 10 and name C4') (resid 10 and name C3')
       (resid 10 and name C2') (resid 10 and name C1')
       1  28.80  10.0 2
assign (resid 10 and name C3') (resid 10 and name C2')
       (resid 10 and name C1') (resid 10 and name O4')
       1  -8.60  10.0 2
assign (resid 10 and name O4') (resid 10 and name C1')
       (resid 10 and name N9) (resid 10 and name C4)
       1  55.00  10.0 2
assign (resid 10 and name C4') (resid 10 and name C3')
       (resid 10 and name O3') (resid 11 and name P  )
       1 -126.00  46.0 2
assign (resid 10 and name C3') (resid 10 and name O3')
       (resid 11 and name P  ) (resid 11 and name O5')
       1 -10.00  90.0 2
assign (resid 10 and name O3') (resid 11 and name P  )
       (resid 11 and name O5') (resid 11 and name C5')
       1 -160.00  70.0 2
assign (resid 11 and name P  ) (resid 11 and name O5')
       (resid 11 and name C5') (resid 11 and name C4')
       1 176.00  44.0 2
assign (resid 11 and name O5') (resid 11 and name C5')
       (resid 11 and name C4') (resid 11 and name C3')
       1  55.00  15.0 2
assign (resid 11 and name C5') (resid 11 and name C4')
       (resid 11 and name C3') (resid 11 and name O3')
       1 145.00  15.0 2
assign (resid 11 and name C4') (resid 11 and name C3')
       (resid 11 and name C2') (resid 11 and name C1')
       1 -40.00  10.0 2
assign (resid 11 and name C3') (resid 11 and name C2')
       (resid 11 and name C1') (resid 11 and name O4')
       1  30.00  10.0 2
assign (resid 11 and name O4') (resid 11 and name C1')
       (resid 11 and name N1) (resid 11 and name C2)
       1 -135.00  15.0 2
assign (resid 11 and name C4') (resid 11 and name C3')
       (resid 11 and name O3') (resid 12 and name P  )
       1 -80.00  10.0 2
assign (resid 11 and name C3') (resid 11 and name O3')
       (resid 12 and name P  ) (resid 12 and name O5')
       1  65.00  15.0 2
assign (resid 11 and name O3') (resid 12 and name P  )
       (resid 12 and name O5') (resid 12 and name C5')
       1 150.00  90.0 2
assign (resid 12 and name P  ) (resid 12 and name O5')
       (resid 12 and name C5') (resid 12 and name C4')
       1 180.00  15.0 2
assign (resid 12 and name O5') (resid 12 and name C5')
       (resid 12 and name C4') (resid 12 and name C3')
       1 120.00  70.0 2
assign (resid 12 and name C5') (resid 12 and name C4')
       (resid 12 and name C3') (resid 12 and name O3')
       1  82.50  10.0 2
assign (resid 12 and name C4') (resid 12 and name C3')
       (resid 12 and name C2') (resid 12 and name C1')
       1  29.50  10.0 2
assign (resid 12 and name C3') (resid 12 and name C2')
       (resid 12 and name C1') (resid 12 and name O4')
       1  -4.20  15.0 2
assign (resid 12 and name O4') (resid 12 and name C1')
       (resid 12 and name N9) (resid 12 and name C4)
       1  45.00  15.0 2

hbnd.tbl
! hydrogen bons

! C1-G12
assign (resid   1 and name N4   )
     (resid  12 and name O6   )  2.72  0.20  0.20
assign (resid   1 and name N3   )
     (resid  12 and name N1   )  2.91  0.20  0.20
assign (resid   1 and name O2   )
     (resid  12 and name N2   )  3.08  0.20  0.20

! G2-C11
assign (resid  11 and name N4   )
     (resid   2 and name O6   )  2.72  0.20  0.20
assign (resid  11 and name N3   )
     (resid   2 and name N1   )  2.91  0.20  0.20
assign (resid  11 and name O2   )
     (resid   2 and name N2   )  3.08  0.20  0.20

! C3-G10
assign (resid   3 and name N4   )
     (resid  10 and name O6   )  2.72  0.20  0.20
assign (resid   3 and name N3   )
     (resid  10 and name N1   )  2.91  0.20  0.20
assign (resid   3 and name O2   )
     (resid  10 and name N2   )  3.08  0.20  0.20

! G4-C9
assign (resid   9 and name N4   )
     (resid   4 and name O6   )  2.72  0.20  0.20
assign (resid   9 and name N3   )
     (resid   4 and name N1   )  2.91  0.20  0.20
assign (resid   9 and name O2   )
     (resid   4 and name N2   )  3.08  0.20  0.20

! C5-G8
assign (resid   5 and name N4   )
     (resid   8 and name O6   )  2.72  0.20  0.20
assign (resid   5 and name N3   )
     (resid   8 and name N1   )  2.91  0.20  0.20
assign (resid   5 and name O2   )
     (resid   8 and name N2   )  3.08  0.20  0.20

! G6-C7
assign (resid   7 and name N4   )
     (resid   6 and name O6   )  2.72  0.20  0.20
assign (resid   7 and name N3   )
     (resid   6 and name N1   )  2.91  0.20  0.20
assign (resid   7 and name O2   )
     (resid   6 and name N2   )  3.08  0.20  0.20

plnr.tbl
group
    selection=(
	(resid 1 and name N1) or
	(resid 1 and name N3) or
	(resid 1 and name C5) or
	(resid 12 and name N1) or
	(resid 12 and name N3) or
	(resid 12 and name C5)
    )
    weight=$planarweight
end

group
    selection=(
	(resid 2 and name N1) or
	(resid 2 and name N3) or
	(resid 2 and name C5) or
	(resid 11 and name N1) or
	(resid 11 and name N3) or
	(resid 11 and name C5)
    )
    weight=$planarweight
end

group
    selection=(
	(resid 3 and name N1) or
	(resid 3 and name N3) or
	(resid 3 and name C5) or
	(resid 10 and name N1) or
	(resid 10 and name N3) or
	(resid 10 and name C5)
    )
    weight=$planarweight
end

group
    selection=(
	(resid 4 and name N1) or
	(resid 4 and name N3) or
	(resid 4 and name C5) or
	(resid 9 and name N1) or
	(resid 9 and name N3) or
	(resid 9 and name C5)
    )
    weight=$planarweight
end

group
    selection=(
	(resid 5 and name N1) or
	(resid 5 and name N3) or
	(resid 5 and name C5) or
	(resid 8 and name N1) or
	(resid 8 and name N3) or
	(resid 8 and name C5)
    )
    weight=$planarweight
end

group
    selection=(
	(resid 6 and name N1) or
	(resid 6 and name N3) or
	(resid 6 and name C5) or
	(resid 7 and name N1) or
	(resid 7 and name N3) or
	(resid 7 and name C5)
    )
    weight=$planarweight
end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    C   1          1H5*        C   1  20.017  -1.904   7.165
    2   2H5*    C   1          2H5*        C   1  20.147  -3.258   8.300
    3    H4*    C   1           H4*        C   1  18.059  -3.484   7.305
    4    H3*    C   1           H3*        C   1  19.576  -5.630   7.156
    5    H2*    C   1          1H2*        C   1  20.761  -5.184   5.114
    6   2HO*    C   1          2HO*        C   1  18.427  -6.651   4.723
    7    H1*    C   1           H1*        C   1  18.286  -4.176   3.665
    8   1H4     C   1          1H4         C   1  23.575  -0.788   1.612
    9   2H4     C   1          2H4         C   1  23.130  -1.843   0.287
   10    H5     C   1           H5         C   1  22.470  -0.858   3.768
   11    H6     C   1           H6         C   1  20.720  -1.945   5.075
   12    H5T    C   1           H5T        C   1  22.024  -3.348   7.236
   13   1H5*    G   2          1H5*        G   2  14.654  -4.077   6.767
   14   2H5*    G   2          2H5*        G   2  16.203  -3.859   5.940
   15    H4*    G   2           H4*        G   2  15.154  -2.060   8.123
   16    H3*    G   2           H3*        G   2  14.875  -1.780   5.127
   17    H2*    G   2          1H2*        G   2  15.352   0.528   5.342
   18   2HO*    G   2          2HO*        G   2  13.799   0.272   7.419
   19    H1*    G   2           H1*        G   2  16.920   0.211   7.796
   20    H8     G   2           H8         G   2  18.880   1.624   7.177
   21    H1     G   2           H1         G   2  19.080  -0.776   1.234
   22   1H2     G   2          1H2         G   2  16.332  -2.628   2.232
   23   2H2     G   2          2H2         G   2  17.462  -2.241   0.952
   24   1H5*    C   3          1H5*        C   3  10.714  -1.199   3.546
   25   2H5*    C   3          2H5*        C   3  11.098  -2.869   3.095
   26    H4*    C   3           H4*        C   3  11.067  -1.263   1.210
   27    H3*    C   3           H3*        C   3  12.885  -3.352   1.567
   28    H2*    C   3          1H2*        C   3  14.799  -1.984   1.975
   29   2HO*    C   3          2HO*        C   3  14.360  -2.481  -0.666
   30    H1*    C   3           H1*        C   3  13.499   0.146   0.158
   31   1H4     C   3          1H4         C   3  18.009   3.314   3.809
   32   2H4     C   3          2H4         C   3  18.585   3.364   2.157
   33    H5     C   3           H5         C   3  16.015   2.083   4.452
   34    H6     C   3           H6         C   3  14.247   0.595   3.661
   35   1H5*    G   4          1H5*        G   4   9.038  -1.641  -1.805
   36   2H5*    G   4          2H5*        G   4  10.560  -0.901  -1.276
   37    H4*    G   4           H4*        G   4   7.859  -0.698   0.035
   38    H3*    G   4           H3*        G   4   9.579   1.269  -1.457
   39    H2*    G   4          1H2*        G   4   8.935   2.967   0.046
   40   2HO*    G   4          2HO*        G   4   6.628   1.630  -0.073
   41    H1*    G   4           H1*        G   4   8.529   1.197   2.313
   42    H8     G   4           H8         G   4   9.891   2.494   3.978
   43    H1     G   4           H1         G   4  14.561   3.534  -0.290
   44   1H2     G   4          1H2         G   4  12.543   1.798  -2.478
   45   2H2     G   4          2H2         G   4  14.048   2.654  -2.216
   46   1H5*    C   5          1H5*        C   5   7.157   3.625  -4.538
   47   2H5*    C   5          2H5*        C   5   7.840   2.421  -5.648
   48    H4*    C   5           H4*        C   5   8.783   4.537  -6.161
   49    H3*    C   5           H3*        C   5  10.409   2.411  -5.822
   50    H2*    C   5          1H2*        C   5  10.948   2.863  -3.493
   51   2HO*    C   5          2HO*        C   5  12.768   4.304  -5.159
   52    H1*    C   5           H1*        C   5  11.180   5.817  -4.341
   53   1H4     C   5          1H4         C   5  10.632   5.864   2.244
   54   2H4     C   5          2H4         C   5  12.004   6.864   1.809
   55    H5     C   5           H5         C   5   9.350   4.635   0.589
   56    H6     C   5           H6         C   5   9.184   4.053  -1.780
   57   1H5*    G   6          1H5*        G   6   9.452   6.180  -9.148
   58   2H5*    G   6          2H5*        G   6   9.543   6.083  -7.379
   59    H4*    G   6           H4*        G   6   7.113   5.366  -9.011
   60    H3*    G   6           H3*        G   6   7.838   8.005  -7.766
   61    H2*    G   6          1H2*        G   6   5.571   8.274  -7.055
   62   2HO*    G   6          2HO*        G   6   5.070   6.984  -9.275
   63    H1*    G   6           H1*        G   6   5.159   5.545  -6.383
   64    H8     G   6           H8         G   6   4.450   6.343  -4.077
   65    H1     G   6           H1         G   6  10.228   8.915  -3.021
   66   1H2     G   6          1H2         G   6  10.828   8.181  -6.346
   67   2H2     G   6          2H2         G   6  11.436   8.861  -4.852
   68    H3T    G   6           H3T        G   6   7.849   7.733 -10.004
   69   1H5*    C   7          1H5*        C   7  16.135  12.626   0.378
   70   2H5*    C   7          2H5*        C   7  16.334  14.285  -0.209
   71    H4*    C   7           H4*        C   7  17.187  12.898  -1.880
   72    H3*    C   7           H3*        C   7  15.398  14.659  -2.686
   73    H2*    C   7          1H2*        C   7  13.377  13.394  -2.378
   74   2HO*    C   7          2HO*        C   7  14.483  12.943  -4.930
   75    H1*    C   7           H1*        C   7  14.586  10.837  -3.498
   76   1H4     C   7          1H4         C   7  10.294   9.321   1.292
   77   2H4     C   7          2H4         C   7   9.584   8.747  -0.202
   78    H5     C   7           H5         C   7  12.361  10.574   1.362
   79    H6     C   7           H6         C   7  14.164  11.519   0.023
   80    H5T    C   7           H5T        C   7  14.160  14.343  -0.731
   81   1H5*    G   8          1H5*        G   8  19.271  11.659  -4.404
   82   2H5*    G   8          2H5*        G   8  17.672  11.457  -3.672
   83    H4*    G   8           H4*        G   8  20.304  11.535  -2.195
   84    H3*    G   8           H3*        G   8  18.577   9.176  -2.979
   85    H2*    G   8          1H2*        G   8  19.167   8.178  -0.903
   86   2HO*    G   8          2HO*        G   8  21.482   9.298  -1.452
   87    H1*    G   8           H1*        G   8  19.467  10.731   0.475
   88    H8     G   8           H8         G   8  18.059  10.204   2.469
   89    H1     G   8           H1         G   8  13.508   7.489  -1.134
   90   1H2     G   8          1H2         G   8  15.575   8.291  -3.790
   91   2H2     G   8          2H2         G   8  14.069   7.573  -3.254
   92   1H5*    C   9          1H5*        C   9  20.584   6.119  -5.549
   93   2H5*    C   9          2H5*        C   9  19.318   6.750  -6.615
   94    H4*    C   9           H4*        C   9  18.911   4.464  -5.761
   95    H3*    C   9           H3*        C   9  16.989   6.509  -6.004
   96    H2*    C   9          1H2*        C   9  16.497   6.675  -3.682
   97   2HO*    C   9          2HO*        C   9  15.257   4.389  -3.302
   98    H1*    C   9           H1*        C   9  17.362   3.726  -3.425
   99   1H4     C   9          1H4         C   9  17.720   6.213   2.683
  100   2H4     C   9          2H4         C   9  16.352   5.116   2.671
  101    H5     C   9           H5         C   9  18.958   6.763   0.650
  102    H6     C   9           H6         C   9  19.083   6.403  -1.765
  103   1H5*    G  10          1H5*        G  10  18.440   1.822  -8.255
  104   2H5*    G  10          2H5*        G  10  18.030   2.224  -6.577
  105    H4*    G  10           H4*        G  10  20.724   2.426  -7.913
  106    H3*    G  10           H3*        G  10  19.602   0.536  -5.871
  107    H2*    G  10          1H2*        G  10  21.570   0.662  -4.585
  108   2HO*    G  10          2HO*        G  10  22.637   0.674  -7.039
  109    H1*    G  10           H1*        G  10  22.387   3.305  -5.506
  110    H8     G  10           H8         G  10  22.959   4.229  -3.242
  111    H1     G  10           H1         G  10  17.645   1.777  -0.628
  112   1H2     G  10          1H2         G  10  17.067   0.468  -3.779
  113   2H2     G  10          2H2         G  10  16.515   0.633  -2.125
  114   1H5*    C  11          1H5*        C  11  20.577  -3.739  -6.410
  115   2H5*    C  11          2H5*        C  11  19.094  -3.768  -7.382
  116    H4*    C  11           H4*        C  11  18.654  -4.993  -5.428
  117    H3*    C  11           H3*        C  11  16.950  -3.013  -6.051
  118    H2*    C  11          1H2*        C  11  18.011  -1.313  -4.663
  119   2HO*    C  11          2HO*        C  11  15.784  -2.515  -3.655
  120    H1*    C  11           H1*        C  11  18.218  -3.506  -2.506
  121   1H4     C  11          1H4         C  11  22.511   1.175  -0.692
  122   2H4     C  11          2H4         C  11  21.495   0.826   0.691
  123    H5     C  11           H5         C  11  22.155   0.150  -2.861
  124    H6     C  11           H6         C  11  20.737  -1.373  -4.140
  125   1H5*    G  12          1H5*        G  12  17.140  -7.911  -4.490
  126   2H5*    G  12          2H5*        G  12  17.948  -6.405  -4.011
  127    H4*    G  12           H4*        G  12  18.835  -8.166  -6.289
  128    H3*    G  12           H3*        G  12  19.710  -8.229  -3.410
  129    H2*    G  12          1H2*        G  12  21.965  -8.556  -4.130
  130   2HO*    G  12          2HO*        G  12  20.754  -9.828  -6.118
  131    H1*    G  12           H1*        G  12  21.780  -6.838  -6.398
  132    H8     G  12           H8         G  12  23.826  -5.613  -5.525
  133    H1     G  12           H1         G  12  20.782  -4.060  -0.102
  134   1H2     G  12          1H2         G  12  18.290  -6.163  -1.257
  135   2H2     G  12          2H2         G  12  18.847  -5.093   0.013
  136    H3T    G  12           H3T        G  12  19.299 -10.214  -3.627
  Start of MODEL    2
    1   1H5*    C   1          1H5*        C   1  19.881  -1.827   7.224
    2   2H5*    C   1          2H5*        C   1  20.030  -3.185   8.351
    3    H4*    C   1           H4*        C   1  17.960  -3.434   7.304
    4    H3*    C   1           H3*        C   1  19.523  -5.558   7.229
    5    H2*    C   1          1H2*        C   1  20.730  -5.134   5.194
    6   2HO*    C   1          2HO*        C   1  18.425  -6.639   4.803
    7    H1*    C   1           H1*        C   1  18.251  -4.186   3.707
    8   1H4     C   1          1H4         C   1  23.537  -0.841   1.574
    9   2H4     C   1          2H4         C   1  23.053  -1.889   0.257
   10    H5     C   1           H5         C   1  22.466  -0.893   3.748
   11    H6     C   1           H6         C   1  20.726  -1.956   5.086
   12    H5T    C   1           H5T        C   1  21.431  -4.187   6.961
   13   1H5*    G   2          1H5*        G   2  14.544  -4.100   6.845
   14   2H5*    G   2          2H5*        G   2  16.052  -3.872   5.948
   15    H4*    G   2           H4*        G   2  14.960  -2.039   8.083
   16    H3*    G   2           H3*        G   2  14.882  -1.792   5.065
   17    H2*    G   2          1H2*        G   2  15.242   0.541   5.332
   18   2HO*    G   2          2HO*        G   2  13.639   0.182   7.373
   19    H1*    G   2           H1*        G   2  16.751   0.244   7.811
   20    H8     G   2           H8         G   2  18.694   1.685   7.192
   21    H1     G   2           H1         G   2  19.071  -0.881   1.330
   22   1H2     G   2          1H2         G   2  16.369  -2.793   2.345
   23   2H2     G   2          2H2         G   2  17.512  -2.410   1.074
   24   1H5*    C   3          1H5*        C   3  10.821  -1.427   3.264
   25   2H5*    C   3          2H5*        C   3  11.305  -3.045   2.728
   26    H4*    C   3           H4*        C   3  11.294  -1.312   0.954
   27    H3*    C   3           H3*        C   3  13.187  -3.348   1.267
   28    H2*    C   3          1H2*        C   3  15.011  -1.916   1.835
   29   2HO*    C   3          2HO*        C   3  14.667  -2.205  -0.874
   30    H1*    C   3           H1*        C   3  13.656   0.237   0.086
   31   1H4     C   3          1H4         C   3  17.985   3.420   3.947
   32   2H4     C   3          2H4         C   3  18.609   3.511   2.313
   33    H5     C   3           H5         C   3  15.985   2.135   4.497
   34    H6     C   3           H6         C   3  14.274   0.632   3.607
   35   1H5*    G   4          1H5*        G   4   9.323  -1.649  -2.093
   36   2H5*    G   4          2H5*        G   4  10.789  -0.840  -1.510
   37    H4*    G   4           H4*        G   4   8.078  -0.905  -0.201
   38    H3*    G   4           H3*        G   4   9.618   1.249  -1.618
   39    H2*    G   4          1H2*        G   4   8.969   2.830   0.002
   40   2HO*    G   4          2HO*        G   4   6.708   1.433  -0.152
   41    H1*    G   4           H1*        G   4   8.666   0.939   2.186
   42    H8     G   4           H8         G   4   9.993   2.234   3.889
   43    H1     G   4           H1         G   4  14.566   3.611  -0.387
   44   1H2     G   4          1H2         G   4  12.581   1.884  -2.616
   45   2H2     G   4          2H2         G   4  14.056   2.789  -2.343
   46   1H5*    C   5          1H5*        C   5   7.109   3.636  -4.562
   47   2H5*    C   5          2H5*        C   5   7.830   2.485  -5.701
   48    H4*    C   5           H4*        C   5   8.729   4.657  -6.104
   49    H3*    C   5           H3*        C   5  10.380   2.530  -5.894
   50    H2*    C   5          1H2*        C   5  10.928   2.865  -3.546
   51   2HO*    C   5          2HO*        C   5  12.716   4.387  -5.165
   52    H1*    C   5           H1*        C   5  11.119   5.860  -4.254
   53   1H4     C   5          1H4         C   5  10.656   5.637   2.332
   54   2H4     C   5          2H4         C   5  12.055   6.611   1.923
   55    H5     C   5           H5         C   5   9.326   4.511   0.639
   56    H6     C   5           H6         C   5   9.125   4.034  -1.752
   57   1H5*    G   6          1H5*        G   6   9.365   6.411  -9.073
   58   2H5*    G   6          2H5*        G   6   9.462   6.260  -7.308
   59    H4*    G   6           H4*        G   6   7.043   5.553  -8.964
   60    H3*    G   6           H3*        G   6   7.731   8.154  -7.625
   61    H2*    G   6          1H2*        G   6   5.471   8.361  -6.871
   62   2HO*    G   6          2HO*        G   6   4.963   7.132  -9.131
   63    H1*    G   6           H1*        G   6   5.104   5.610  -6.286
   64    H8     G   6           H8         G   6   4.439   6.354  -3.938
   65    H1     G   6           H1         G   6  10.259   8.855  -2.939
   66   1H2     G   6          1H2         G   6  10.771   8.220  -6.299
   67   2H2     G   6          2H2         G   6  11.422   8.852  -4.801
   68    H3T    G   6           H3T        G   6   7.732   8.074  -9.830
   69   1H5*    C   7          1H5*        C   7  16.125  12.572   0.355
   70   2H5*    C   7          2H5*        C   7  16.386  14.233  -0.204
   71    H4*    C   7           H4*        C   7  17.198  12.899  -1.915
   72    H3*    C   7           H3*        C   7  15.376  14.630  -2.699
   73    H2*    C   7          1H2*        C   7  13.378  13.337  -2.331
   74   2HO*    C   7          2HO*        C   7  14.405  13.047  -4.910
   75    H1*    C   7           H1*        C   7  14.596  10.804  -3.499
   76   1H4     C   7          1H4         C   7  10.445   9.166   1.370
   77   2H4     C   7          2H4         C   7   9.707   8.601  -0.113
   78    H5     C   7           H5         C   7  12.491  10.453   1.408
   79    H6     C   7           H6         C   7  14.246  11.445   0.037
   80    H5T    C   7           H5T        C   7  14.213  14.353  -0.770
   81   1H5*    G   8          1H5*        G   8  19.153  11.587  -4.487
   82   2H5*    G   8          2H5*        G   8  17.587  11.453  -3.673
   83    H4*    G   8           H4*        G   8  20.258  11.565  -2.274
   84    H3*    G   8           H3*        G   8  18.617   9.145  -3.056
   85    H2*    G   8          1H2*        G   8  19.235   8.165  -0.982
   86   2HO*    G   8          2HO*        G   8  21.518   9.327  -1.535
   87    H1*    G   8           H1*        G   8  19.473  10.723   0.399
   88    H8     G   8           H8         G   8  18.129  10.106   2.410
   89    H1     G   8           H1         G   8  13.559   7.375  -1.158
   90   1H2     G   8          1H2         G   8  15.549   8.277  -3.836
   91   2H2     G   8          2H2         G   8  14.070   7.515  -3.283
   92   1H5*    C   9          1H5*        C   9  20.616   6.114  -5.635
   93   2H5*    C   9          2H5*        C   9  19.358   6.789  -6.685
   94    H4*    C   9           H4*        C   9  18.917   4.492  -5.871
   95    H3*    C   9           H3*        C   9  17.028   6.556  -6.105
   96    H2*    C   9          1H2*        C   9  16.589   6.758  -3.768
   97   2HO*    C   9          2HO*        C   9  15.126   4.750  -4.952
   98    H1*    C   9           H1*        C   9  17.328   3.770  -3.535
   99   1H4     C   9          1H4         C   9  17.742   6.222   2.594
  100   2H4     C   9          2H4         C   9  16.387   5.111   2.582
  101    H5     C   9           H5         C   9  18.975   6.783   0.557
  102    H6     C   9           H6         C   9  19.092   6.433  -1.860
  103   1H5*    G  10          1H5*        G  10  18.371   1.789  -8.230
  104   2H5*    G  10          2H5*        G  10  17.993   2.255  -6.563
  105    H4*    G  10           H4*        G  10  20.669   2.357  -7.942
  106    H3*    G  10           H3*        G  10  19.540   0.576  -5.806
  107    H2*    G  10          1H2*        G  10  21.564   0.667  -4.599
  108   2HO*    G  10          2HO*        G  10  22.548   0.611  -7.071
  109    H1*    G  10           H1*        G  10  22.375   3.291  -5.530
  110    H8     G  10           H8         G  10  22.916   4.230  -3.257
  111    H1     G  10           H1         G  10  17.555   1.796  -0.726
  112   1H2     G  10          1H2         G  10  17.021   0.492  -3.881
  113   2H2     G  10          2H2         G  10  16.446   0.661  -2.236
  114   1H5*    C  11          1H5*        C  11  20.390  -3.776  -6.362
  115   2H5*    C  11          2H5*        C  11  18.801  -3.767  -7.148
  116    H4*    C  11           H4*        C  11  18.639  -4.962  -5.097
  117    H3*    C  11           H3*        C  11  16.827  -3.042  -5.672
  118    H2*    C  11          1H2*        C  11  17.929  -1.276  -4.407
  119   2HO*    C  11          2HO*        C  11  16.811  -1.921  -2.080
  120    H1*    C  11           H1*        C  11  18.382  -3.435  -2.252
  121   1H4     C  11          1H4         C  11  22.549   1.441  -0.681
  122   2H4     C  11          2H4         C  11  21.580   1.091   0.736
  123    H5     C  11           H5         C  11  22.159   0.350  -2.822
  124    H6     C  11           H6         C  11  20.741  -1.242  -4.021
  125   1H5*    G  12          1H5*        G  12  17.115  -7.950  -4.188
  126   2H5*    G  12          2H5*        G  12  17.979  -6.468  -3.735
  127    H4*    G  12           H4*        G  12  18.642  -8.192  -6.116
  128    H3*    G  12           H3*        G  12  19.775  -8.273  -3.333
  129    H2*    G  12          1H2*        G  12  21.966  -8.569  -4.246
  130   2HO*    G  12          2HO*        G  12  20.653  -9.867  -6.105
  131    H1*    G  12           H1*        G  12  21.605  -6.796  -6.433
  132    H8     G  12           H8         G  12  23.700  -5.601  -5.595
  133    H1     G  12           H1         G  12  20.791  -4.096  -0.085
  134   1H2     G  12          1H2         G  12  18.272  -6.194  -1.194
  135   2H2     G  12          2H2         G  12  18.862  -5.134   0.070
  136    H3T    G  12           H3T        G  12  18.588  -9.986  -3.867
  Start of MODEL    3
    1   1H5*    C   1          1H5*        C   1  19.924  -1.894   7.235
    2   2H5*    C   1          2H5*        C   1  20.055  -3.258   8.357
    3    H4*    C   1           H4*        C   1  17.976  -3.474   7.331
    4    H3*    C   1           H3*        C   1  19.506  -5.620   7.216
    5    H2*    C   1          1H2*        C   1  20.694  -5.195   5.170
    6   2HO*    C   1          2HO*        C   1  18.353  -6.650   4.784
    7    H1*    C   1           H1*        C   1  18.215  -4.191   3.721
    8   1H4     C   1          1H4         C   1  23.528  -0.899   1.575
    9   2H4     C   1          2H4         C   1  23.017  -1.928   0.251
   10    H5     C   1           H5         C   1  22.478  -0.961   3.757
   11    H6     C   1           H6         C   1  20.734  -2.014   5.100
   12    H5T    C   1           H5T        C   1  21.956  -3.243   7.284
   13   1H5*    G   2          1H5*        G   2  14.571  -4.098   6.787
   14   2H5*    G   2          2H5*        G   2  16.119  -3.882   5.960
   15    H4*    G   2           H4*        G   2  15.007  -2.053   8.087
   16    H3*    G   2           H3*        G   2  14.897  -1.796   5.074
   17    H2*    G   2          1H2*        G   2  15.304   0.528   5.330
   18   2HO*    G   2          2HO*        G   2  13.701   0.203   7.376
   19    H1*    G   2           H1*        G   2  16.810   0.217   7.813
   20    H8     G   2           H8         G   2  18.776   1.630   7.207
   21    H1     G   2           H1         G   2  19.097  -0.876   1.315
   22   1H2     G   2          1H2         G   2  16.374  -2.764   2.320
   23   2H2     G   2          2H2         G   2  17.519  -2.380   1.050
   24   1H5*    C   3          1H5*        C   3  10.833  -1.379   3.301
   25   2H5*    C   3          2H5*        C   3  11.306  -3.000   2.763
   26    H4*    C   3           H4*        C   3  11.303  -1.269   0.990
   27    H3*    C   3           H3*        C   3  13.185  -3.315   1.301
   28    H2*    C   3          1H2*        C   3  15.017  -1.890   1.863
   29   2HO*    C   3          2HO*        C   3  14.665  -2.173  -0.850
   30    H1*    C   3           H1*        C   3  13.667   0.266   0.113
   31   1H4     C   3          1H4         C   3  18.038   3.424   3.950
   32   2H4     C   3          2H4         C   3  18.652   3.514   2.311
   33    H5     C   3           H5         C   3  16.034   2.149   4.513
   34    H6     C   3           H6         C   3  14.309   0.659   3.633
   35   1H5*    G   4          1H5*        G   4   9.323  -1.625  -2.068
   36   2H5*    G   4          2H5*        G   4  10.790  -0.814  -1.488
   37    H4*    G   4           H4*        G   4   8.078  -0.869  -0.179
   38    H3*    G   4           H3*        G   4   9.620   1.272  -1.610
   39    H2*    G   4          1H2*        G   4   8.981   2.865   0.000
   40   2HO*    G   4          2HO*        G   4   6.714   1.467  -0.134
   41    H1*    G   4           H1*        G   4   8.671   0.990   2.198
   42    H8     G   4           H8         G   4  10.003   2.288   3.892
   43    H1     G   4           H1         G   4  14.576   3.630  -0.395
   44   1H2     G   4          1H2         G   4  12.585   1.895  -2.613
   45   2H2     G   4          2H2         G   4  14.063   2.797  -2.349
   46   1H5*    C   5          1H5*        C   5   7.089   3.623  -4.584
   47   2H5*    C   5          2H5*        C   5   7.793   2.448  -5.709
   48    H4*    C   5           H4*        C   5   8.697   4.602  -6.172
   49    H3*    C   5           H3*        C   5  10.349   2.484  -5.924
   50    H2*    C   5          1H2*        C   5  10.895   2.859  -3.581
   51   2HO*    C   5          2HO*        C   5  12.690   4.316  -5.249
   52    H1*    C   5           H1*        C   5  11.105   5.840  -4.342
   53   1H4     C   5          1H4         C   5  10.619   5.729   2.245
   54   2H4     C   5          2H4         C   5  12.019   6.698   1.825
   55    H5     C   5           H5         C   5   9.295   4.573   0.567
   56    H6     C   5           H6         C   5   9.102   4.055  -1.814
   57   1H5*    G   6          1H5*        G   6   9.343   6.365  -9.108
   58   2H5*    G   6          2H5*        G   6   9.449   6.205  -7.344
   59    H4*    G   6           H4*        G   6   7.012   5.525  -8.981
   60    H3*    G   6           H3*        G   6   7.729   8.124  -7.651
   61    H2*    G   6          1H2*        G   6   5.471   8.349  -6.897
   62   2HO*    G   6          2HO*        G   6   4.952   7.116  -9.153
   63    H1*    G   6           H1*        G   6   5.089   5.600  -6.305
   64    H8     G   6           H8         G   6   4.426   6.337  -3.959
   65    H1     G   6           H1         G   6  10.237   8.857  -2.956
   66   1H2     G   6          1H2         G   6  10.754   8.224  -6.317
   67   2H2     G   6          2H2         G   6  11.403   8.859  -4.818
   68    H3T    G   6           H3T        G   6   7.703   7.900  -9.906
   69   1H5*    C   7          1H5*        C   7  16.108  12.545   0.384
   70   2H5*    C   7          2H5*        C   7  16.370  14.210  -0.162
   71    H4*    C   7           H4*        C   7  17.181  12.885  -1.882
   72    H3*    C   7           H3*        C   7  15.368  14.629  -2.654
   73    H2*    C   7          1H2*        C   7  13.365  13.341  -2.285
   74   2HO*    C   7          2HO*        C   7  14.383  13.024  -4.876
   75    H1*    C   7           H1*        C   7  14.572  10.817  -3.486
   76   1H4     C   7          1H4         C   7  10.413   9.143   1.367
   77   2H4     C   7          2H4         C   7   9.673   8.597  -0.123
   78    H5     C   7           H5         C   7  12.467  10.419   1.417
   79    H6     C   7           H6         C   7  14.225  11.419   0.056
   80    H5T    C   7           H5T        C   7  14.312  14.497   0.045
   81   1H5*    G   8          1H5*        G   8  19.142  11.593  -4.457
   82   2H5*    G   8          2H5*        G   8  17.575  11.451  -3.647
   83    H4*    G   8           H4*        G   8  20.243  11.567  -2.240
   84    H3*    G   8           H3*        G   8  18.615   9.143  -3.039
   85    H2*    G   8          1H2*        G   8  19.229   8.157  -0.967
   86   2HO*    G   8          2HO*        G   8  21.509   9.336  -1.505
   87    H1*    G   8           H1*        G   8  19.450  10.709   0.427
   88    H8     G   8           H8         G   8  18.103  10.073   2.429
   89    H1     G   8           H1         G   8  13.547   7.362  -1.170
   90   1H2     G   8          1H2         G   8  15.549   8.274  -3.838
   91   2H2     G   8          2H2         G   8  14.067   7.511  -3.294
   92   1H5*    C   9          1H5*        C   9  20.628   6.131  -5.622
   93   2H5*    C   9          2H5*        C   9  19.367   6.804  -6.670
   94    H4*    C   9           H4*        C   9  18.932   4.505  -5.863
   95    H3*    C   9           H3*        C   9  17.040   6.566  -6.087
   96    H2*    C   9          1H2*        C   9  16.605   6.763  -3.749
   97   2HO*    C   9          2HO*        C   9  15.138   4.763  -4.938
   98    H1*    C   9           H1*        C   9  17.346   3.774  -3.524
   99   1H4     C   9          1H4         C   9  17.775   6.217   2.607
  100   2H4     C   9          2H4         C   9  16.412   5.115   2.595
  101    H5     C   9           H5         C   9  19.010   6.773   0.570
  102    H6     C   9           H6         C   9  19.123   6.423  -1.847
  103   1H5*    G  10          1H5*        G  10  18.374   1.802  -8.228
  104   2H5*    G  10          2H5*        G  10  18.001   2.265  -6.558
  105    H4*    G  10           H4*        G  10  20.675   2.366  -7.943
  106    H3*    G  10           H3*        G  10  19.546   0.582  -5.808
  107    H2*    G  10          1H2*        G  10  21.571   0.668  -4.604
  108   2HO*    G  10          2HO*        G  10  22.549   0.630  -7.088
  109    H1*    G  10           H1*        G  10  22.388   3.291  -5.541
  110    H8     G  10           H8         G  10  22.949   4.228  -3.274
  111    H1     G  10           H1         G  10  17.594   1.822  -0.704
  112   1H2     G  10          1H2         G  10  17.033   0.517  -3.854
  113   2H2     G  10          2H2         G  10  16.469   0.691  -2.205
  114   1H5*    C  11          1H5*        C  11  20.403  -3.760  -6.361
  115   2H5*    C  11          2H5*        C  11  18.820  -3.763  -7.159
  116    H4*    C  11           H4*        C  11  18.639  -4.957  -5.115
  117    H3*    C  11           H3*        C  11  16.833  -3.035  -5.685
  118    H2*    C  11          1H2*        C  11  17.950  -1.271  -4.428
  119   2HO*    C  11          2HO*        C  11  16.814  -1.934  -2.100
  120    H1*    C  11           H1*        C  11  18.382  -3.425  -2.263
  121   1H4     C  11          1H4         C  11  22.585   1.420  -0.697
  122   2H4     C  11          2H4         C  11  21.619   1.071   0.723
  123    H5     C  11           H5         C  11  22.180   0.340  -2.839
  124    H6     C  11           H6         C  11  20.752  -1.243  -4.036
  125   1H5*    G  12          1H5*        G  12  17.115  -7.929  -4.166
  126   2H5*    G  12          2H5*        G  12  17.988  -6.444  -3.739
  127    H4*    G  12           H4*        G  12  18.625  -8.197  -6.107
  128    H3*    G  12           H3*        G  12  19.771  -8.268  -3.329
  129    H2*    G  12          1H2*        G  12  21.957  -8.579  -4.247
  130   2HO*    G  12          2HO*        G  12  20.811  -8.823  -6.842
  131    H1*    G  12           H1*        G  12  21.606  -6.809  -6.435
  132    H8     G  12           H8         G  12  23.697  -5.611  -5.592
  133    H1     G  12           H1         G  12  20.769  -4.103  -0.092
  134   1H2     G  12          1H2         G  12  18.255  -6.202  -1.212
  135   2H2     G  12          2H2         G  12  18.836  -5.141   0.055
  136    H3T    G  12           H3T        G  12  19.970 -10.402  -4.964
  Start of MODEL    4
    1   1H5*    C   1          1H5*        C   1  19.962  -2.167   7.151
    2   2H5*    C   1          2H5*        C   1  20.040  -3.462   8.359
    3    H4*    C   1           H4*        C   1  17.951  -3.672   7.359
    4    H3*    C   1           H3*        C   1  19.390  -5.877   7.339
    5    H2*    C   1          1H2*        C   1  20.607  -5.565   5.285
    6   2HO*    C   1          2HO*        C   1  18.239  -6.990   4.960
    7    H1*    C   1           H1*        C   1  18.150  -4.579   3.782
    8   1H4     C   1          1H4         C   1  23.499  -1.470   1.469
    9   2H4     C   1          2H4         C   1  22.943  -2.512   0.177
   10    H5     C   1           H5         C   1  22.494  -1.458   3.667
   11    H6     C   1           H6         C   1  20.749  -2.428   5.066
   12    H5T    C   1           H5T        C   1  21.955  -3.403   7.168
   13   1H5*    G   2          1H5*        G   2  14.528  -4.150   6.865
   14   2H5*    G   2          2H5*        G   2  16.078  -4.017   6.019
   15    H4*    G   2           H4*        G   2  15.069  -2.102   8.123
   16    H3*    G   2           H3*        G   2  14.946  -1.881   5.107
   17    H2*    G   2          1H2*        G   2  15.424   0.435   5.346
   18   2HO*    G   2          2HO*        G   2  13.826   0.193   7.390
   19    H1*    G   2           H1*        G   2  16.960   0.082   7.802
   20    H8     G   2           H8         G   2  18.934   1.452   7.128
   21    H1     G   2           H1         G   2  19.125  -1.211   1.303
   22   1H2     G   2          1H2         G   2  16.385  -3.021   2.380
   23   2H2     G   2          2H2         G   2  17.522  -2.688   1.089
   24   1H5*    C   3          1H5*        C   3  10.913  -1.384   3.303
   25   2H5*    C   3          2H5*        C   3  11.430  -2.978   2.727
   26    H4*    C   3           H4*        C   3  11.438  -1.202   1.006
   27    H3*    C   3           H3*        C   3  13.384  -3.196   1.326
   28    H2*    C   3          1H2*        C   3  15.159  -1.717   1.928
   29   2HO*    C   3          2HO*        C   3  14.845  -1.964  -0.788
   30    H1*    C   3           H1*        C   3  13.734   0.424   0.220
   31   1H4     C   3          1H4         C   3  17.909   3.725   4.142
   32   2H4     C   3          2H4         C   3  18.524   3.881   2.508
   33    H5     C   3           H5         C   3  15.982   2.321   4.675
   34    H6     C   3           H6         C   3  14.339   0.761   3.753
   35   1H5*    G   4          1H5*        G   4   9.481  -1.587  -2.053
   36   2H5*    G   4          2H5*        G   4  10.917  -0.727  -1.466
   37    H4*    G   4           H4*        G   4   8.205  -0.887  -0.164
   38    H3*    G   4           H3*        G   4   9.662   1.318  -1.585
   39    H2*    G   4          1H2*        G   4   8.997   2.879   0.047
   40   2HO*    G   4          2HO*        G   4   6.768   1.418  -0.086
   41    H1*    G   4           H1*        G   4   8.744   0.980   2.233
   42    H8     G   4           H8         G   4  10.058   2.282   3.935
   43    H1     G   4           H1         G   4  14.562   3.807  -0.364
   44   1H2     G   4          1H2         G   4  12.605   2.049  -2.593
   45   2H2     G   4          2H2         G   4  14.059   2.986  -2.322
   46   1H5*    C   5          1H5*        C   5   7.105   3.577  -4.593
   47   2H5*    C   5          2H5*        C   5   7.873   2.413  -5.689
   48    H4*    C   5           H4*        C   5   8.724   4.604  -6.127
   49    H3*    C   5           H3*        C   5  10.417   2.519  -5.866
   50    H2*    C   5          1H2*        C   5  10.920   2.897  -3.513
   51   2HO*    C   5          2HO*        C   5  12.707   4.405  -5.144
   52    H1*    C   5           H1*        C   5  11.072   5.883  -4.267
   53   1H4     C   5          1H4         C   5  10.506   5.790   2.312
   54   2H4     C   5          2H4         C   5  11.902   6.770   1.906
   55    H5     C   5           H5         C   5   9.218   4.610   0.621
   56    H6     C   5           H6         C   5   9.064   4.080  -1.762
   57   1H5*    G   6          1H5*        G   6   9.338   6.326  -9.122
   58   2H5*    G   6          2H5*        G   6   9.434   6.223  -7.353
   59    H4*    G   6           H4*        G   6   7.039   5.419  -8.998
   60    H3*    G   6           H3*        G   6   7.658   8.060  -7.706
   61    H2*    G   6          1H2*        G   6   5.391   8.224  -6.964
   62   2HO*    G   6          2HO*        G   6   4.921   6.941  -9.201
   63    H1*    G   6           H1*        G   6   5.092   5.478  -6.324
   64    H8     G   6           H8         G   6   4.400   6.262  -3.996
   65    H1     G   6           H1         G   6  10.168   8.895  -3.030
   66   1H2     G   6          1H2         G   6  10.703   8.200  -6.375
   67   2H2     G   6          2H2         G   6  11.337   8.876  -4.888
   68    H3T    G   6           H3T        G   6   7.624   7.689  -9.988
   69   1H5*    C   7          1H5*        C   7  15.926  12.789   0.182
   70   2H5*    C   7          2H5*        C   7  16.229  14.434  -0.402
   71    H4*    C   7           H4*        C   7  17.066  13.088  -2.075
   72    H3*    C   7           H3*        C   7  15.232  14.760  -2.945
   73    H2*    C   7          1H2*        C   7  13.250  13.447  -2.555
   74   2HO*    C   7          2HO*        C   7  14.301  13.141  -5.112
   75    H1*    C   7           H1*        C   7  14.521  10.901  -3.636
   76   1H4     C   7          1H4         C   7  10.352   9.322   1.238
   77   2H4     C   7          2H4         C   7   9.633   8.713  -0.238
   78    H5     C   7           H5         C   7  12.380  10.638   1.257
   79    H6     C   7           H6         C   7  14.131  11.623  -0.123
   80    H5T    C   7           H5T        C   7  14.072  14.562  -1.050
   81   1H5*    G   8          1H5*        G   8  19.011  11.663  -4.587
   82   2H5*    G   8          2H5*        G   8  17.447  11.595  -3.760
   83    H4*    G   8           H4*        G   8  20.101  11.774  -2.341
   84    H3*    G   8           H3*        G   8  18.555   9.288  -3.110
   85    H2*    G   8          1H2*        G   8  19.124   8.376  -0.994
   86   2HO*    G   8          2HO*        G   8  21.405   9.507  -1.509
   87    H1*    G   8           H1*        G   8  19.281  10.973   0.330
   88    H8     G   8           H8         G   8  17.923  10.362   2.333
   89    H1     G   8           H1         G   8  13.464   7.470  -1.250
   90   1H2     G   8          1H2         G   8  15.474   8.355  -3.915
   91   2H2     G   8          2H2         G   8  14.003   7.576  -3.366
   92   1H5*    C   9          1H5*        C   9  20.645   6.252  -5.572
   93   2H5*    C   9          2H5*        C   9  19.393   6.891  -6.650
   94    H4*    C   9           H4*        C   9  18.963   4.607  -5.796
   95    H3*    C   9           H3*        C   9  17.057   6.641  -6.097
   96    H2*    C   9          1H2*        C   9  16.609   6.904  -3.764
   97   2HO*    C   9          2HO*        C   9  15.161   4.848  -4.901
   98    H1*    C   9           H1*        C   9  17.349   3.921  -3.461
   99   1H4     C   9          1H4         C   9  17.685   6.506   2.618
  100   2H4     C   9          2H4         C   9  16.337   5.386   2.618
  101    H5     C   9           H5         C   9  18.940   7.026   0.586
  102    H6     C   9           H6         C   9  19.085   6.624  -1.822
  103   1H5*    G  10          1H5*        G  10  18.451   1.830  -8.125
  104   2H5*    G  10          2H5*        G  10  18.042   2.298  -6.464
  105    H4*    G  10           H4*        G  10  20.739   2.412  -7.799
  106    H3*    G  10           H3*        G  10  19.580   0.633  -5.681
  107    H2*    G  10          1H2*        G  10  21.561   0.759  -4.416
  108   2HO*    G  10          2HO*        G  10  22.616   0.727  -6.882
  109    H1*    G  10           H1*        G  10  22.396   3.372  -5.368
  110    H8     G  10           H8         G  10  22.877   4.376  -3.111
  111    H1     G  10           H1         G  10  17.526   1.883  -0.613
  112   1H2     G  10          1H2         G  10  17.058   0.518  -3.743
  113   2H2     G  10          2H2         G  10  16.458   0.708  -2.109
  114   1H5*    C  11          1H5*        C  11  20.427  -3.800  -6.364
  115   2H5*    C  11          2H5*        C  11  18.821  -3.695  -7.109
  116    H4*    C  11           H4*        C  11  18.691  -4.968  -5.087
  117    H3*    C  11           H3*        C  11  16.887  -3.030  -5.593
  118    H2*    C  11          1H2*        C  11  18.045  -1.287  -4.341
  119   2HO*    C  11          2HO*        C  11  16.968  -1.853  -2.006
  120    H1*    C  11           H1*        C  11  18.492  -3.460  -2.200
  121   1H4     C  11          1H4         C  11  22.769   1.335  -0.686
  122   2H4     C  11          2H4         C  11  21.827   0.984   0.750
  123    H5     C  11           H5         C  11  22.320   0.265  -2.822
  124    H6     C  11           H6         C  11  20.843  -1.281  -4.008
  125   1H5*    G  12          1H5*        G  12  17.052  -7.978  -4.283
  126   2H5*    G  12          2H5*        G  12  17.999  -6.556  -3.805
  127    H4*    G  12           H4*        G  12  18.477  -8.190  -6.294
  128    H3*    G  12           H3*        G  12  19.715  -8.470  -3.571
  129    H2*    G  12          1H2*        G  12  21.856  -8.798  -4.580
  130   2HO*    G  12          2HO*        G  12  22.028  -9.200  -6.832
  131    H1*    G  12           H1*        G  12  21.498  -6.894  -6.653
  132    H8     G  12           H8         G  12  23.663  -5.828  -5.815
  133    H1     G  12           H1         G  12  20.972  -4.522  -0.142
  134   1H2     G  12          1H2         G  12  18.344  -6.454  -1.292
  135   2H2     G  12          2H2         G  12  19.005  -5.491   0.013
  136    H3T    G  12           H3T        G  12  19.566 -10.398  -5.552
  Start of MODEL    5
    1   1H5*    C   1          1H5*        C   1  20.020  -2.230   7.163
    2   2H5*    C   1          2H5*        C   1  20.042  -3.501   8.396
    3    H4*    C   1           H4*        C   1  17.977  -3.722   7.385
    4    H3*    C   1           H3*        C   1  19.399  -5.934   7.317
    5    H2*    C   1          1H2*        C   1  20.627  -5.579   5.274
    6   2HO*    C   1          2HO*        C   1  18.230  -6.959   4.877
    7    H1*    C   1           H1*        C   1  18.176  -4.554   3.787
    8   1H4     C   1          1H4         C   1  23.533  -1.407   1.545
    9   2H4     C   1          2H4         C   1  22.983  -2.432   0.236
   10    H5     C   1           H5         C   1  22.518  -1.430   3.740
   11    H6     C   1           H6         C   1  20.769  -2.426   5.116
   12    H5T    C   1           H5T        C   1  21.688  -4.350   7.424
   13   1H5*    G   2          1H5*        G   2  14.571  -4.171   6.784
   14   2H5*    G   2          2H5*        G   2  16.154  -4.035   6.005
   15    H4*    G   2           H4*        G   2  15.127  -2.156   8.128
   16    H3*    G   2           H3*        G   2  14.962  -1.877   5.118
   17    H2*    G   2          1H2*        G   2  15.462   0.430   5.389
   18   2HO*    G   2          2HO*        G   2  13.887   0.167   7.446
   19    H1*    G   2           H1*        G   2  17.026   0.029   7.819
   20    H8     G   2           H8         G   2  18.986   1.415   7.135
   21    H1     G   2           H1         G   2  19.128  -1.207   1.289
   22   1H2     G   2          1H2         G   2  16.398  -3.026   2.381
   23   2H2     G   2          2H2         G   2  17.520  -2.684   1.079
   24   1H5*    C   3          1H5*        C   3  10.937  -1.352   3.354
   25   2H5*    C   3          2H5*        C   3  11.444  -2.939   2.754
   26    H4*    C   3           H4*        C   3  11.459  -1.132   1.062
   27    H3*    C   3           H3*        C   3  13.400  -3.144   1.351
   28    H2*    C   3          1H2*        C   3  15.192  -1.678   1.930
   29   2HO*    C   3          2HO*        C   3  14.799  -1.818  -0.803
   30    H1*    C   3           H1*        C   3  13.739   0.490   0.282
   31   1H4     C   3          1H4         C   3  18.005   3.710   4.178
   32   2H4     C   3          2H4         C   3  18.598   3.876   2.536
   33    H5     C   3           H5         C   3  16.066   2.321   4.722
   34    H6     C   3           H6         C   3  14.397   0.786   3.807
   35   1H5*    G   4          1H5*        G   4   9.486  -1.546  -2.026
   36   2H5*    G   4          2H5*        G   4  10.918  -0.687  -1.430
   37    H4*    G   4           H4*        G   4   8.198  -0.846  -0.147
   38    H3*    G   4           H3*        G   4   9.673   1.361  -1.546
   39    H2*    G   4          1H2*        G   4   8.987   2.918   0.083
   40   2HO*    G   4          2HO*        G   4   6.770   1.418  -0.045
   41    H1*    G   4           H1*        G   4   8.739   1.023   2.266
   42    H8     G   4           H8         G   4  10.071   2.314   3.965
   43    H1     G   4           H1         G   4  14.551   3.825  -0.364
   44   1H2     G   4          1H2         G   4  12.566   2.084  -2.581
   45   2H2     G   4          2H2         G   4  14.028   3.013  -2.321
   46   1H5*    C   5          1H5*        C   5   7.092   3.623  -4.565
   47   2H5*    C   5          2H5*        C   5   7.813   2.436  -5.666
   48    H4*    C   5           H4*        C   5   8.683   4.596  -6.171
   49    H3*    C   5           H3*        C   5  10.369   2.515  -5.904
   50    H2*    C   5          1H2*        C   5  10.882   2.911  -3.553
   51   2HO*    C   5          2HO*        C   5  12.688   4.370  -5.207
   52    H1*    C   5           H1*        C   5  11.087   5.885  -4.338
   53   1H4     C   5          1H4         C   5  10.529   5.844   2.242
   54   2H4     C   5          2H4         C   5  11.927   6.817   1.827
   55    H5     C   5           H5         C   5   9.229   4.662   0.564
   56    H6     C   5           H6         C   5   9.066   4.116  -1.814
   57   1H5*    G   6          1H5*        G   6   9.355   6.343  -9.135
   58   2H5*    G   6          2H5*        G   6   9.414   6.193  -7.368
   59    H4*    G   6           H4*        G   6   7.042   5.441  -9.067
   60    H3*    G   6           H3*        G   6   7.668   8.074  -7.762
   61    H2*    G   6          1H2*        G   6   5.392   8.263  -7.054
   62   2HO*    G   6          2HO*        G   6   4.772   5.943  -8.590
   63    H1*    G   6           H1*        G   6   5.055   5.521  -6.416
   64    H8     G   6           H8         G   6   4.349   6.299  -4.093
   65    H1     G   6           H1         G   6  10.117   8.912  -3.068
   66   1H2     G   6          1H2         G   6  10.684   8.217  -6.408
   67   2H2     G   6          2H2         G   6  11.305   8.889  -4.914
   68    H3T    G   6           H3T        G   6   5.891   7.897  -9.791
   69   1H5*    C   7          1H5*        C   7  15.953  12.718   0.221
   70   2H5*    C   7          2H5*        C   7  16.182  14.376  -0.360
   71    H4*    C   7           H4*        C   7  17.049  13.019  -2.032
   72    H3*    C   7           H3*        C   7  15.231  14.726  -2.873
   73    H2*    C   7          1H2*        C   7  13.235  13.425  -2.516
   74   2HO*    C   7          2HO*        C   7  14.302  13.110  -5.077
   75    H1*    C   7           H1*        C   7  14.488  10.886  -3.636
   76   1H4     C   7          1H4         C   7  10.282   9.268   1.192
   77   2H4     C   7          2H4         C   7   9.561   8.693  -0.295
   78    H5     C   7           H5         C   7  12.324  10.559   1.244
   79    H6     C   7           H6         C   7  14.090  11.549  -0.113
   80    H5T    C   7           H5T        C   7  14.093  14.138   0.444
   81   1H5*    G   8          1H5*        G   8  19.093  11.710  -4.540
   82   2H5*    G   8          2H5*        G   8  17.509  11.545  -3.766
   83    H4*    G   8           H4*        G   8  20.144  11.732  -2.307
   84    H3*    G   8           H3*        G   8  18.558   9.273  -3.082
   85    H2*    G   8          1H2*        G   8  19.133   8.342  -0.975
   86   2HO*    G   8          2HO*        G   8  21.423   9.465  -1.499
   87    H1*    G   8           H1*        G   8  19.326  10.931   0.360
   88    H8     G   8           H8         G   8  17.962  10.339   2.367
   89    H1     G   8           H1         G   8  13.475   7.476  -1.202
   90   1H2     G   8          1H2         G   8  15.490   8.346  -3.874
   91   2H2     G   8          2H2         G   8  14.014   7.577  -3.324
   92   1H5*    C   9          1H5*        C   9  20.613   6.257  -5.601
   93   2H5*    C   9          2H5*        C   9  19.353   6.901  -6.667
   94    H4*    C   9           H4*        C   9  18.932   4.613  -5.826
   95    H3*    C   9           H3*        C   9  17.020   6.645  -6.099
   96    H2*    C   9          1H2*        C   9  16.597   6.898  -3.760
   97   2HO*    C   9          2HO*        C   9  15.133   4.852  -4.893
   98    H1*    C   9           H1*        C   9  17.334   3.912  -3.480
   99   1H4     C   9          1H4         C   9  17.732   6.452   2.613
  100   2H4     C   9          2H4         C   9  16.370   5.349   2.613
  101    H5     C   9           H5         C   9  18.977   6.973   0.576
  102    H6     C   9           H6         C   9  19.101   6.587  -1.836
  103   1H5*    G  10          1H5*        G  10  18.411   1.831  -8.136
  104   2H5*    G  10          2H5*        G  10  18.003   2.295  -6.473
  105    H4*    G  10           H4*        G  10  20.700   2.415  -7.811
  106    H3*    G  10           H3*        G  10  19.546   0.629  -5.694
  107    H2*    G  10          1H2*        G  10  21.533   0.754  -4.437
  108   2HO*    G  10          2HO*        G  10  22.578   0.687  -6.892
  109    H1*    G  10           H1*        G  10  22.364   3.368  -5.399
  110    H8     G  10           H8         G  10  22.865   4.387  -3.156
  111    H1     G  10           H1         G  10  17.563   1.870  -0.576
  112   1H2     G  10          1H2         G  10  17.066   0.483  -3.690
  113   2H2     G  10          2H2         G  10  16.490   0.674  -2.049
  114   1H5*    C  11          1H5*        C  11  20.433  -3.792  -6.374
  115   2H5*    C  11          2H5*        C  11  18.845  -3.712  -7.158
  116    H4*    C  11           H4*        C  11  18.662  -4.993  -5.157
  117    H3*    C  11           H3*        C  11  16.872  -3.044  -5.657
  118    H2*    C  11          1H2*        C  11  18.023  -1.317  -4.376
  119   2HO*    C  11          2HO*        C  11  16.234  -2.755  -2.685
  120    H1*    C  11           H1*        C  11  18.438  -3.505  -2.243
  121   1H4     C  11          1H4         C  11  22.713   1.282  -0.692
  122   2H4     C  11          2H4         C  11  21.788   0.904   0.747
  123    H5     C  11           H5         C  11  22.260   0.238  -2.838
  124    H6     C  11           H6         C  11  20.788  -1.303  -4.036
  125   1H5*    G  12          1H5*        G  12  17.083  -7.980  -4.295
  126   2H5*    G  12          2H5*        G  12  17.996  -6.530  -3.831
  127    H4*    G  12           H4*        G  12  18.546  -8.189  -6.287
  128    H3*    G  12           H3*        G  12  19.736  -8.430  -3.538
  129    H2*    G  12          1H2*        G  12  21.895  -8.756  -4.513
  130   2HO*    G  12          2HO*        G  12  20.506  -9.928  -6.393
  131    H1*    G  12           H1*        G  12  21.552  -6.871  -6.605
  132    H8     G  12           H8         G  12  23.688  -5.764  -5.758
  133    H1     G  12           H1         G  12  20.945  -4.492  -0.103
  134   1H2     G  12          1H2         G  12  18.355  -6.470  -1.263
  135   2H2     G  12          2H2         G  12  18.994  -5.493   0.044
  136    H3T    G  12           H3T        G  12  18.302  -9.978  -4.477
  Start of MODEL    6
    1   1H5*    C   1          1H5*        C   1  19.959  -1.629   7.201
    2   2H5*    C   1          2H5*        C   1  20.097  -2.965   8.355
    3    H4*    C   1           H4*        C   1  18.020  -3.226   7.348
    4    H3*    C   1           H3*        C   1  19.570  -5.356   7.247
    5    H2*    C   1          1H2*        C   1  20.739  -4.949   5.189
    6   2HO*    C   1          2HO*        C   1  18.357  -6.372   4.768
    7    H1*    C   1           H1*        C   1  18.250  -3.982   3.735
    8   1H4     C   1          1H4         C   1  23.513  -0.627   1.568
    9   2H4     C   1          2H4         C   1  23.055  -1.705   0.266
   10    H5     C   1           H5         C   1  22.432  -0.659   3.735
   11    H6     C   1           H6         C   1  20.698  -1.722   5.082
   12    H5T    C   1           H5T        C   1  21.994  -2.983   7.284
   13   1H5*    G   2          1H5*        G   2  14.638  -3.905   6.758
   14   2H5*    G   2          2H5*        G   2  16.211  -3.676   5.980
   15    H4*    G   2           H4*        G   2  15.057  -1.842   8.078
   16    H3*    G   2           H3*        G   2  14.857  -1.640   5.068
   17    H2*    G   2          1H2*        G   2  15.248   0.691   5.259
   18   2HO*    G   2          2HO*        G   2  13.699   0.379   7.364
   19    H1*    G   2           H1*        G   2  16.789   0.461   7.731
   20    H8     G   2           H8         G   2  18.752   1.868   7.114
   21    H1     G   2           H1         G   2  19.021  -0.610   1.207
   22   1H2     G   2          1H2         G   2  16.283  -2.474   2.214
   23   2H2     G   2          2H2         G   2  17.416  -2.094   0.934
   24   1H5*    C   3          1H5*        C   3  10.685  -1.133   3.438
   25   2H5*    C   3          2H5*        C   3  11.087  -2.793   2.968
   26    H4*    C   3           H4*        C   3  11.035  -1.158   1.104
   27    H3*    C   3           H3*        C   3  12.944  -3.210   1.483
   28    H2*    C   3          1H2*        C   3  14.863  -1.834   1.592
   29   2HO*    C   3          2HO*        C   3  13.994  -2.033  -1.037
   30    H1*    C   3           H1*        C   3  13.356   0.358   0.049
   31   1H4     C   3          1H4         C   3  17.943   3.445   3.656
   32   2H4     C   3          2H4         C   3  18.506   3.517   2.000
   33    H5     C   3           H5         C   3  15.970   2.189   4.304
   34    H6     C   3           H6         C   3  14.201   0.704   3.515
   35   1H5*    G   4          1H5*        G   4   8.898  -1.716  -1.731
   36   2H5*    G   4          2H5*        G   4  10.419  -0.947  -1.242
   37    H4*    G   4           H4*        G   4   7.738  -0.746   0.114
   38    H3*    G   4           H3*        G   4   9.381   1.223  -1.463
   39    H2*    G   4          1H2*        G   4   8.733   2.941   0.026
   40   2HO*    G   4          2HO*        G   4   6.458   1.551  -0.023
   41    H1*    G   4           H1*        G   4   8.409   1.192   2.327
   42    H8     G   4           H8         G   4   9.747   2.524   3.961
   43    H1     G   4           H1         G   4  14.387   3.642  -0.321
   44   1H2     G   4          1H2         G   4  12.393   1.861  -2.507
   45   2H2     G   4          2H2         G   4  13.880   2.748  -2.253
   46   1H5*    C   5          1H5*        C   5   7.092   3.565  -4.406
   47   2H5*    C   5          2H5*        C   5   7.481   2.281  -5.565
   48    H4*    C   5           H4*        C   5   8.649   4.165  -6.290
   49    H3*    C   5           H3*        C   5  10.103   1.955  -5.858
   50    H2*    C   5          1H2*        C   5  10.758   2.497  -3.579
   51   2HO*    C   5          2HO*        C   5  12.592   3.129  -5.543
   52    H1*    C   5           H1*        C   5  11.270   5.358  -4.597
   53   1H4     C   5          1H4         C   5  10.712   5.824   1.972
   54   2H4     C   5          2H4         C   5  12.180   6.656   1.505
   55    H5     C   5           H5         C   5   9.325   4.639   0.376
   56    H6     C   5           H6         C   5   9.100   3.962  -1.960
   57   1H5*    G   6          1H5*        G   6   9.376   5.854  -9.147
   58   2H5*    G   6          2H5*        G   6   9.604   5.723  -7.391
   59    H4*    G   6           H4*        G   6   6.961   5.384  -8.799
   60    H3*    G   6           H3*        G   6   8.161   7.883  -7.626
   61    H2*    G   6          1H2*        G   6   6.026   8.462  -6.736
   62   2HO*    G   6          2HO*        G   6   5.200   7.269  -8.951
   63    H1*    G   6           H1*        G   6   5.228   5.766  -6.172
   64    H8     G   6           H8         G   6   4.631   6.469  -3.814
   65    H1     G   6           H1         G   6  10.600   8.537  -2.727
   66   1H2     G   6          1H2         G   6  11.106   7.917  -6.093
   67   2H2     G   6          2H2         G   6  11.780   8.476  -4.576
   68    H3T    G   6           H3T        G   6   7.962   8.326  -9.602
   69   1H5*    C   7          1H5*        C   7  16.263  12.481   0.620
   70   2H5*    C   7          2H5*        C   7  16.405  14.142   0.022
   71    H4*    C   7           H4*        C   7  17.248  12.797  -1.674
   72    H3*    C   7           H3*        C   7  15.347  14.461  -2.428
   73    H2*    C   7          1H2*        C   7  13.403  13.103  -2.047
   74   2HO*    C   7          2HO*        C   7  14.440  12.713  -4.631
   75    H1*    C   7           H1*        C   7  14.691  10.592  -3.180
   76   1H4     C   7          1H4         C   7  10.632   8.970   1.778
   77   2H4     C   7          2H4         C   7   9.863   8.400   0.312
   78    H5     C   7           H5         C   7  12.683  10.256   1.765
   79    H6     C   7           H6         C   7  14.406  11.244   0.350
   80    H5T    C   7           H5T        C   7  14.372  14.044   0.771
   81   1H5*    G   8          1H5*        G   8  19.113  11.502  -4.332
   82   2H5*    G   8          2H5*        G   8  17.581  11.381  -3.455
   83    H4*    G   8           H4*        G   8  20.294  11.483  -2.141
   84    H3*    G   8           H3*        G   8  18.687   9.061  -2.973
   85    H2*    G   8          1H2*        G   8  19.271   8.035  -0.919
   86   2HO*    G   8          2HO*        G   8  21.574   9.213  -1.451
   87    H1*    G   8           H1*        G   8  19.602  10.568   0.513
   88    H8     G   8           H8         G   8  18.285  10.055   2.566
   89    H1     G   8           H1         G   8  13.681   7.107  -0.786
   90   1H2     G   8          1H2         G   8  15.622   7.908  -3.538
   91   2H2     G   8          2H2         G   8  14.161   7.153  -2.936
   92   1H5*    C   9          1H5*        C   9  20.831   6.082  -5.542
   93   2H5*    C   9          2H5*        C   9  19.677   6.811  -6.671
   94    H4*    C   9           H4*        C   9  19.148   4.488  -5.978
   95    H3*    C   9           H3*        C   9  17.306   6.607  -6.280
   96    H2*    C   9          1H2*        C   9  16.526   6.641  -4.045
   97   2HO*    C   9          2HO*        C   9  15.386   4.544  -5.444
   98    H1*    C   9           H1*        C   9  17.376   3.696  -3.760
   99   1H4     C   9          1H4         C   9  17.344   6.229   2.340
  100   2H4     C   9          2H4         C   9  15.962   5.157   2.256
  101    H5     C   9           H5         C   9  18.721   6.728   0.403
  102    H6     C   9           H6         C   9  19.003   6.356  -1.992
  103   1H5*    G  10          1H5*        G  10  18.827   1.943  -8.475
  104   2H5*    G  10          2H5*        G  10  18.289   2.387  -6.844
  105    H4*    G  10           H4*        G  10  21.099   2.435  -7.931
  106    H3*    G  10           H3*        G  10  19.711   0.655  -5.940
  107    H2*    G  10          1H2*        G  10  21.649   0.639  -4.594
  108   2HO*    G  10          2HO*        G  10  22.802   0.604  -6.998
  109    H1*    G  10           H1*        G  10  22.607   3.252  -5.454
  110    H8     G  10           H8         G  10  23.102   4.162  -3.176
  111    H1     G  10           H1         G  10  17.589   1.929  -0.785
  112   1H2     G  10          1H2         G  10  17.096   0.611  -3.941
  113   2H2     G  10          2H2         G  10  16.487   0.812  -2.313
  114   1H5*    C  11          1H5*        C  11  20.561  -3.632  -6.354
  115   2H5*    C  11          2H5*        C  11  19.127  -3.687  -7.397
  116    H4*    C  11           H4*        C  11  18.563  -4.869  -5.464
  117    H3*    C  11           H3*        C  11  16.935  -2.851  -6.153
  118    H2*    C  11          1H2*        C  11  17.984  -1.168  -4.742
  119   2HO*    C  11          2HO*        C  11  15.734  -2.382  -3.713
  120    H1*    C  11           H1*        C  11  18.069  -3.333  -2.553
  121   1H4     C  11          1H4         C  11  22.437   1.267  -0.707
  122   2H4     C  11          2H4         C  11  21.389   0.957   0.661
  123    H5     C  11           H5         C  11  22.106   0.218  -2.865
  124    H6     C  11           H6         C  11  20.674  -1.281  -4.160
  125   1H5*    G  12          1H5*        G  12  17.002  -7.712  -4.495
  126   2H5*    G  12          2H5*        G  12  17.823  -6.206  -4.037
  127    H4*    G  12           H4*        G  12  18.747  -8.046  -6.236
  128    H3*    G  12           H3*        G  12  19.538  -8.048  -3.330
  129    H2*    G  12          1H2*        G  12  21.800  -8.457  -3.984
  130   2HO*    G  12          2HO*        G  12  20.632  -9.798  -5.921
  131    H1*    G  12           H1*        G  12  21.703  -6.808  -6.316
  132    H8     G  12           H8         G  12  23.759  -5.581  -5.480
  133    H1     G  12           H1         G  12  20.761  -3.879  -0.076
  134   1H2     G  12          1H2         G  12  18.229  -5.963  -1.185
  135   2H2     G  12          2H2         G  12  18.809  -4.879   0.064
  136    H3T    G  12           H3T        G  12  18.320  -9.725  -3.949
  Start of MODEL    7
    1   1H5*    C   1          1H5*        C   1  19.930  -1.604   7.196
    2   2H5*    C   1          2H5*        C   1  20.080  -2.943   8.345
    3    H4*    C   1           H4*        C   1  18.000  -3.207   7.338
    4    H3*    C   1           H3*        C   1  19.559  -5.332   7.239
    5    H2*    C   1          1H2*        C   1  20.721  -4.936   5.177
    6   2HO*    C   1          2HO*        C   1  18.327  -6.343   4.761
    7    H1*    C   1           H1*        C   1  18.239  -3.959   3.722
    8   1H4     C   1          1H4         C   1  23.517  -0.606   1.588
    9   2H4     C   1          2H4         C   1  23.059  -1.677   0.280
   10    H5     C   1           H5         C   1  22.428  -0.644   3.751
   11    H6     C   1           H6         C   1  20.688  -1.709   5.088
   12    H5T    C   1           H5T        C   1  21.407  -4.014   6.886
   13   1H5*    G   2          1H5*        G   2  14.608  -3.891   6.804
   14   2H5*    G   2          2H5*        G   2  16.160  -3.668   5.984
   15    H4*    G   2           H4*        G   2  15.031  -1.820   8.085
   16    H3*    G   2           H3*        G   2  14.850  -1.628   5.073
   17    H2*    G   2          1H2*        G   2  15.230   0.706   5.264
   18   2HO*    G   2          2HO*        G   2  13.682   0.387   7.372
   19    H1*    G   2           H1*        G   2  16.769   0.477   7.738
   20    H8     G   2           H8         G   2  18.724   1.892   7.116
   21    H1     G   2           H1         G   2  19.021  -0.621   1.225
   22   1H2     G   2          1H2         G   2  16.290  -2.494   2.239
   23   2H2     G   2          2H2         G   2  17.425  -2.119   0.959
   24   1H5*    C   3          1H5*        C   3  10.685  -1.139   3.409
   25   2H5*    C   3          2H5*        C   3  11.099  -2.800   2.950
   26    H4*    C   3           H4*        C   3  11.053  -1.174   1.078
   27    H3*    C   3           H3*        C   3  12.960  -3.218   1.479
   28    H2*    C   3          1H2*        C   3  14.871  -1.831   1.627
   29   2HO*    C   3          2HO*        C   3  14.068  -2.068  -1.019
   30    H1*    C   3           H1*        C   3  13.383   0.338   0.031
   31   1H4     C   3          1H4         C   3  17.935   3.455   3.662
   32   2H4     C   3          2H4         C   3  18.500   3.535   2.007
   33    H5     C   3           H5         C   3  15.966   2.191   4.304
   34    H6     C   3           H6         C   3  14.205   0.698   3.507
   35   1H5*    G   4          1H5*        G   4   8.931  -1.726  -1.749
   36   2H5*    G   4          2H5*        G   4  10.449  -0.949  -1.260
   37    H4*    G   4           H4*        G   4   7.769  -0.771   0.104
   38    H3*    G   4           H3*        G   4   9.388   1.211  -1.481
   39    H2*    G   4          1H2*        G   4   8.752   2.923   0.016
   40   2HO*    G   4          2HO*        G   4   6.477   1.511  -0.003
   41    H1*    G   4           H1*        G   4   8.435   1.171   2.318
   42    H8     G   4           H8         G   4   9.768   2.514   3.950
   43    H1     G   4           H1         G   4  14.401   3.643  -0.335
   44   1H2     G   4          1H2         G   4  12.411   1.851  -2.519
   45   2H2     G   4          2H2         G   4  13.896   2.742  -2.267
   46   1H5*    C   5          1H5*        C   5   7.099   3.593  -4.338
   47   2H5*    C   5          2H5*        C   5   7.420   2.317  -5.527
   48    H4*    C   5           H4*        C   5   8.617   4.156  -6.283
   49    H3*    C   5           H3*        C   5  10.060   1.945  -5.864
   50    H2*    C   5          1H2*        C   5  10.727   2.479  -3.583
   51   2HO*    C   5          2HO*        C   5  12.565   3.087  -5.554
   52    H1*    C   5           H1*        C   5  11.284   5.332  -4.599
   53   1H4     C   5          1H4         C   5  10.697   5.809   1.964
   54   2H4     C   5          2H4         C   5  12.176   6.624   1.504
   55    H5     C   5           H5         C   5   9.306   4.635   0.364
   56    H6     C   5           H6         C   5   9.086   3.955  -1.972
   57   1H5*    G   6          1H5*        G   6   9.368   5.883  -9.091
   58   2H5*    G   6          2H5*        G   6   9.571   5.714  -7.336
   59    H4*    G   6           H4*        G   6   6.942   5.423  -8.776
   60    H3*    G   6           H3*        G   6   8.157   7.902  -7.578
   61    H2*    G   6          1H2*        G   6   6.022   8.499  -6.698
   62   2HO*    G   6          2HO*        G   6   5.192   7.350  -8.922
   63    H1*    G   6           H1*        G   6   5.197   5.812  -6.139
   64    H8     G   6           H8         G   6   4.626   6.497  -3.770
   65    H1     G   6           H1         G   6  10.614   8.530  -2.718
   66   1H2     G   6          1H2         G   6  11.088   7.929  -6.092
   67   2H2     G   6          2H2         G   6  11.780   8.476  -4.579
   68    H3T    G   6           H3T        G   6   8.005   8.282  -9.588
   69   1H5*    C   7          1H5*        C   7  16.255  12.458   0.624
   70   2H5*    C   7          2H5*        C   7  16.407  14.120   0.034
   71    H4*    C   7           H4*        C   7  17.248  12.789  -1.670
   72    H3*    C   7           H3*        C   7  15.344  14.444  -2.426
   73    H2*    C   7          1H2*        C   7  13.403  13.082  -2.029
   74   2HO*    C   7          2HO*        C   7  14.423  12.721  -4.619
   75    H1*    C   7           H1*        C   7  14.689  10.575  -3.173
   76   1H4     C   7          1H4         C   7  10.672   8.935   1.812
   77   2H4     C   7          2H4         C   7   9.883   8.380   0.349
   78    H5     C   7           H5         C   7  12.729  10.210   1.786
   79    H6     C   7           H6         C   7  14.441  11.201   0.360
   80    H5T    C   7           H5T        C   7  14.370  14.024   0.779
   81   1H5*    G   8          1H5*        G   8  19.079  11.461  -4.332
   82   2H5*    G   8          2H5*        G   8  17.557  11.366  -3.434
   83    H4*    G   8           H4*        G   8  20.273  11.484  -2.133
   84    H3*    G   8           H3*        G   8  18.718   9.040  -2.989
   85    H2*    G   8          1H2*        G   8  19.270   8.017  -0.927
   86   2HO*    G   8          2HO*        G   8  21.577   9.202  -1.429
   87    H1*    G   8           H1*        G   8  19.585  10.551   0.513
   88    H8     G   8           H8         G   8  18.272  10.017   2.565
   89    H1     G   8           H1         G   8  13.682   7.067  -0.803
   90   1H2     G   8          1H2         G   8  15.624   7.882  -3.550
   91   2H2     G   8          2H2         G   8  14.166   7.120  -2.952
   92   1H5*    C   9          1H5*        C   9  20.877   6.103  -5.554
   93   2H5*    C   9          2H5*        C   9  19.736   6.851  -6.685
   94    H4*    C   9           H4*        C   9  19.186   4.526  -6.018
   95    H3*    C   9           H3*        C   9  17.363   6.643  -6.344
   96    H2*    C   9          1H2*        C   9  16.643   6.741  -4.082
   97   2HO*    C   9          2HO*        C   9  15.233   4.616  -3.821
   98    H1*    C   9           H1*        C   9  17.362   3.753  -3.824
   99   1H4     C   9          1H4         C   9  17.366   6.177   2.320
  100   2H4     C   9          2H4         C   9  15.954   5.148   2.208
  101    H5     C   9           H5         C   9  18.769   6.669   0.401
  102    H6     C   9           H6         C   9  19.056   6.334  -1.999
  103   1H5*    G  10          1H5*        G  10  18.839   1.934  -8.484
  104   2H5*    G  10          2H5*        G  10  18.296   2.385  -6.857
  105    H4*    G  10           H4*        G  10  21.110   2.417  -7.931
  106    H3*    G  10           H3*        G  10  19.703   0.654  -5.940
  107    H2*    G  10          1H2*        G  10  21.632   0.633  -4.583
  108   2HO*    G  10          2HO*        G  10  22.801   0.583  -6.981
  109    H1*    G  10           H1*        G  10  22.613   3.235  -5.449
  110    H8     G  10           H8         G  10  23.101   4.151  -3.170
  111    H1     G  10           H1         G  10  17.571   1.935  -0.802
  112   1H2     G  10          1H2         G  10  17.084   0.623  -3.962
  113   2H2     G  10          2H2         G  10  16.471   0.822  -2.334
  114   1H5*    C  11          1H5*        C  11  20.552  -3.619  -6.343
  115   2H5*    C  11          2H5*        C  11  19.124  -3.695  -7.391
  116    H4*    C  11           H4*        C  11  18.555  -4.873  -5.460
  117    H3*    C  11           H3*        C  11  16.921  -2.860  -6.144
  118    H2*    C  11          1H2*        C  11  17.972  -1.175  -4.732
  119   2HO*    C  11          2HO*        C  11  15.715  -2.382  -3.719
  120    H1*    C  11           H1*        C  11  18.056  -3.348  -2.547
  121   1H4     C  11          1H4         C  11  22.414   1.256  -0.685
  122   2H4     C  11          2H4         C  11  21.368   0.937   0.683
  123    H5     C  11           H5         C  11  22.084   0.217  -2.847
  124    H6     C  11           H6         C  11  20.656  -1.280  -4.147
  125   1H5*    G  12          1H5*        G  12  17.017  -7.725  -4.493
  126   2H5*    G  12          2H5*        G  12  17.831  -6.219  -4.026
  127    H4*    G  12           H4*        G  12  18.765  -8.047  -6.231
  128    H3*    G  12           H3*        G  12  19.551  -8.051  -3.325
  129    H2*    G  12          1H2*        G  12  21.818  -8.439  -3.970
  130   2HO*    G  12          2HO*        G  12  20.671  -9.794  -5.907
  131    H1*    G  12           H1*        G  12  21.717  -6.794  -6.304
  132    H8     G  12           H8         G  12  23.763  -5.554  -5.463
  133    H1     G  12           H1         G  12  20.736  -3.858  -0.073
  134   1H2     G  12          1H2         G  12  18.221  -5.957  -1.186
  135   2H2     G  12          2H2         G  12  18.789  -4.866   0.061
  136    H3T    G  12           H3T        G  12  18.355  -9.740  -3.939
  Start of MODEL    8
    1   1H5*    C   1          1H5*        C   1  19.993  -2.043   7.170
    2   2H5*    C   1          2H5*        C   1  20.101  -3.404   8.298
    3    H4*    C   1           H4*        C   1  17.999  -3.578   7.329
    4    H3*    C   1           H3*        C   1  19.462  -5.759   7.144
    5    H2*    C   1          1H2*        C   1  20.627  -5.323   5.086
    6   2HO*    C   1          2HO*        C   1  18.261  -6.737   4.730
    7    H1*    C   1           H1*        C   1  18.148  -4.251   3.689
    8   1H4     C   1          1H4         C   1  23.458  -0.968   1.535
    9   2H4     C   1          2H4         C   1  22.945  -1.987   0.207
   10    H5     C   1           H5         C   1  22.420  -1.044   3.720
   11    H6     C   1           H6         C   1  20.683  -2.105   5.064
   12    H5T    C   1           H5T        C   1  21.980  -3.455   7.184
   13   1H5*    G   2          1H5*        G   2  14.599  -4.102   6.700
   14   2H5*    G   2          2H5*        G   2  16.189  -3.914   5.950
   15    H4*    G   2           H4*        G   2  15.117  -2.107   8.113
   16    H3*    G   2           H3*        G   2  14.854  -1.802   5.117
   17    H2*    G   2          1H2*        G   2  15.384   0.492   5.346
   18   2HO*    G   2          2HO*        G   2  13.831   0.232   7.447
   19    H1*    G   2           H1*        G   2  16.922   0.132   7.816
   20    H8     G   2           H8         G   2  18.911   1.517   7.223
   21    H1     G   2           H1         G   2  19.106  -0.827   1.259
   22   1H2     G   2          1H2         G   2  16.339  -2.664   2.232
   23   2H2     G   2          2H2         G   2  17.479  -2.276   0.962
   24   1H5*    C   3          1H5*        C   3  10.758  -1.230   3.488
   25   2H5*    C   3          2H5*        C   3  11.159  -2.886   3.002
   26    H4*    C   3           H4*        C   3  11.168  -1.231   1.161
   27    H3*    C   3           H3*        C   3  12.999  -3.316   1.513
   28    H2*    C   3          1H2*        C   3  14.891  -1.934   1.970
   29   2HO*    C   3          2HO*        C   3  14.459  -2.323  -0.709
   30    H1*    C   3           H1*        C   3  13.574   0.211   0.182
   31   1H4     C   3          1H4         C   3  18.051   3.364   3.893
   32   2H4     C   3          2H4         C   3  18.635   3.431   2.245
   33    H5     C   3           H5         C   3  16.052   2.116   4.512
   34    H6     C   3           H6         C   3  14.293   0.635   3.689
   35   1H5*    G   4          1H5*        G   4   9.151  -1.602  -1.864
   36   2H5*    G   4          2H5*        G   4  10.659  -0.840  -1.324
   37    H4*    G   4           H4*        G   4   7.954  -0.710  -0.009
   38    H3*    G   4           H3*        G   4   9.620   1.308  -1.491
   39    H2*    G   4          1H2*        G   4   8.992   2.977   0.050
   40   2HO*    G   4          2HO*        G   4   6.692   1.611  -0.053
   41    H1*    G   4           H1*        G   4   8.613   1.178   2.298
   42    H8     G   4           H8         G   4   9.978   2.465   3.969
   43    H1     G   4           H1         G   4  14.606   3.584  -0.324
   44   1H2     G   4          1H2         G   4  12.586   1.855  -2.513
   45   2H2     G   4          2H2         G   4  14.087   2.721  -2.255
   46   1H5*    C   5          1H5*        C   5   7.117   3.643  -4.570
   47   2H5*    C   5          2H5*        C   5   7.737   2.390  -5.660
   48    H4*    C   5           H4*        C   5   8.702   4.459  -6.288
   49    H3*    C   5           H3*        C   5  10.314   2.337  -5.920
   50    H2*    C   5          1H2*        C   5  10.906   2.839  -3.616
   51   2HO*    C   5          2HO*        C   5  12.701   4.192  -5.371
   52    H1*    C   5           H1*        C   5  11.179   5.771  -4.519
   53   1H4     C   5          1H4         C   5  10.614   5.913   2.063
   54   2H4     C   5          2H4         C   5  12.004   6.884   1.625
   55    H5     C   5           H5         C   5   9.315   4.694   0.421
   56    H6     C   5           H6         C   5   9.148   4.077  -1.939
   57   1H5*    G   6          1H5*        G   6   9.339   6.124  -9.253
   58   2H5*    G   6          2H5*        G   6   9.515   6.037  -7.489
   59    H4*    G   6           H4*        G   6   6.979   5.392  -8.986
   60    H3*    G   6           H3*        G   6   7.852   8.019  -7.805
   61    H2*    G   6          1H2*        G   6   5.628   8.366  -7.002
   62   2HO*    G   6          2HO*        G   6   5.018   7.039  -9.203
   63    H1*    G   6           H1*        G   6   5.145   5.629  -6.348
   64    H8     G   6           H8         G   6   4.471   6.399  -4.024
   65    H1     G   6           H1         G   6  10.274   8.926  -3.004
   66   1H2     G   6          1H2         G   6  10.830   8.228  -6.346
   67   2H2     G   6          2H2         G   6  11.462   8.887  -4.850
   68    H3T    G   6           H3T        G   6   7.673   8.402  -9.800
   69   1H5*    C   7          1H5*        C   7  16.123  12.640   0.381
   70   2H5*    C   7          2H5*        C   7  16.331  14.297  -0.210
   71    H4*    C   7           H4*        C   7  17.143  12.913  -1.898
   72    H3*    C   7           H3*        C   7  15.337  14.664  -2.679
   73    H2*    C   7          1H2*        C   7  13.326  13.402  -2.299
   74   2HO*    C   7          2HO*        C   7  14.345  12.845  -4.884
   75    H1*    C   7           H1*        C   7  14.501  10.841  -3.447
   76   1H4     C   7          1H4         C   7  10.334   9.355   1.463
   77   2H4     C   7          2H4         C   7   9.572   8.794  -0.010
   78    H5     C   7           H5         C   7  12.418  10.583   1.475
   79    H6     C   7           H6         C   7  14.190  11.514   0.083
   80    H5T    C   7           H5T        C   7  14.285  14.244   0.537
   81   1H5*    G   8          1H5*        G   8  19.201  11.668  -4.444
   82   2H5*    G   8          2H5*        G   8  17.611  11.450  -3.696
   83    H4*    G   8           H4*        G   8  20.250  11.588  -2.238
   84    H3*    G   8           H3*        G   8  18.571   9.189  -3.004
   85    H2*    G   8          1H2*        G   8  19.193   8.211  -0.928
   86   2HO*    G   8          2HO*        G   8  21.479   9.374  -1.485
   87    H1*    G   8           H1*        G   8  19.427  10.768   0.445
   88    H8     G   8           H8         G   8  18.037  10.185   2.434
   89    H1     G   8           H1         G   8  13.516   7.455  -1.196
   90   1H2     G   8          1H2         G   8  15.572   8.314  -3.845
   91   2H2     G   8          2H2         G   8  14.076   7.567  -3.317
   92   1H5*    C   9          1H5*        C   9  20.592   6.120  -5.569
   93   2H5*    C   9          2H5*        C   9  19.323   6.774  -6.618
   94    H4*    C   9           H4*        C   9  18.903   4.481  -5.792
   95    H3*    C   9           H3*        C   9  16.999   6.533  -6.010
   96    H2*    C   9          1H2*        C   9  16.565   6.728  -3.674
   97   2HO*    C   9          2HO*        C   9  15.121   4.703  -4.849
   98    H1*    C   9           H1*        C   9  17.346   3.752  -3.433
   99   1H4     C   9          1H4         C   9  17.803   6.255   2.671
  100   2H4     C   9          2H4         C   9  16.453   5.138   2.681
  101    H5     C   9           H5         C   9  19.009   6.811   0.617
  102    H6     C   9           H6         C   9  19.102   6.443  -1.798
  103   1H5*    G  10          1H5*        G  10  18.371   1.808  -8.217
  104   2H5*    G  10          2H5*        G  10  17.997   2.228  -6.536
  105    H4*    G  10           H4*        G  10  20.663   2.404  -7.927
  106    H3*    G  10           H3*        G  10  19.569   0.541  -5.845
  107    H2*    G  10          1H2*        G  10  21.560   0.665  -4.598
  108   2HO*    G  10          2HO*        G  10  22.584   0.661  -7.070
  109    H1*    G  10           H1*        G  10  22.373   3.298  -5.541
  110    H8     G  10           H8         G  10  22.973   4.222  -3.280
  111    H1     G  10           H1         G  10  17.657   1.814  -0.627
  112   1H2     G  10          1H2         G  10  17.051   0.504  -3.771
  113   2H2     G  10          2H2         G  10  16.511   0.676  -2.114
  114   1H5*    C  11          1H5*        C  11  20.478  -3.708  -6.446
  115   2H5*    C  11          2H5*        C  11  18.896  -3.767  -7.245
  116    H4*    C  11           H4*        C  11  18.726  -4.949  -5.206
  117    H3*    C  11           H3*        C  11  16.902  -3.030  -5.740
  118    H2*    C  11          1H2*        C  11  18.009  -1.277  -4.457
  119   2HO*    C  11          2HO*        C  11  16.317  -2.750  -2.685
  120    H1*    C  11           H1*        C  11  18.481  -3.471  -2.341
  121   1H4     C  11          1H4         C  11  22.654   1.377  -0.704
  122   2H4     C  11          2H4         C  11  21.693   1.002   0.713
  123    H5     C  11           H5         C  11  22.253   0.325  -2.860
  124    H6     C  11           H6         C  11  20.828  -1.245  -4.080
  125   1H5*    G  12          1H5*        G  12  17.241  -7.920  -4.232
  126   2H5*    G  12          2H5*        G  12  18.105  -6.423  -3.833
  127    H4*    G  12           H4*        G  12  18.731  -8.184  -6.197
  128    H3*    G  12           H3*        G  12  19.877  -8.265  -3.421
  129    H2*    G  12          1H2*        G  12  22.069  -8.554  -4.329
  130   2HO*    G  12          2HO*        G  12  20.932  -8.798  -6.928
  131    H1*    G  12           H1*        G  12  21.725  -6.776  -6.508
  132    H8     G  12           H8         G  12  23.782  -5.542  -5.643
  133    H1     G  12           H1         G  12  20.800  -4.142  -0.143
  134   1H2     G  12          1H2         G  12  18.329  -6.270  -1.299
  135   2H2     G  12          2H2         G  12  18.885  -5.215  -0.016
  136    H3T    G  12           H3T        G  12  20.116 -10.398  -5.027
  Start of MODEL    9
    1   1H5*    C   1          1H5*        C   1  19.991  -2.107   7.138
    2   2H5*    C   1          2H5*        C   1  20.038  -3.377   8.372
    3    H4*    C   1           H4*        C   1  17.964  -3.609   7.375
    4    H3*    C   1           H3*        C   1  19.396  -5.814   7.326
    5    H2*    C   1          1H2*        C   1  20.617  -5.472   5.278
    6   2HO*    C   1          2HO*        C   1  18.245  -6.891   4.920
    7    H1*    C   1           H1*        C   1  18.157  -4.481   3.784
    8   1H4     C   1          1H4         C   1  23.489  -1.322   1.500
    9   2H4     C   1          2H4         C   1  22.952  -2.373   0.206
   10    H5     C   1           H5         C   1  22.469  -1.320   3.693
   11    H6     C   1           H6         C   1  20.727  -2.311   5.081
   12    H5T    C   1           H5T        C   1  21.966  -3.375   7.205
   13   1H5*    G   2          1H5*        G   2  14.560  -4.092   6.763
   14   2H5*    G   2          2H5*        G   2  16.151  -3.952   5.999
   15    H4*    G   2           H4*        G   2  15.102  -2.064   8.104
   16    H3*    G   2           H3*        G   2  14.914  -1.817   5.093
   17    H2*    G   2          1H2*        G   2  15.415   0.491   5.327
   18   2HO*    G   2          2HO*        G   2  13.857   0.234   7.416
   19    H1*    G   2           H1*        G   2  16.976   0.134   7.769
   20    H8     G   2           H8         G   2  18.931   1.524   7.079
   21    H1     G   2           H1         G   2  19.106  -1.142   1.254
   22   1H2     G   2          1H2         G   2  16.381  -2.966   2.350
   23   2H2     G   2          2H2         G   2  17.507  -2.628   1.051
   24   1H5*    C   3          1H5*        C   3  10.890  -1.329   3.327
   25   2H5*    C   3          2H5*        C   3  11.401  -2.932   2.772
   26    H4*    C   3           H4*        C   3  11.414  -1.172   1.030
   27    H3*    C   3           H3*        C   3  13.343  -3.180   1.364
   28    H2*    C   3          1H2*        C   3  15.128  -1.709   1.958
   29   2HO*    C   3          2HO*        C   3  14.791  -1.897  -0.787
   30    H1*    C   3           H1*        C   3  13.726   0.422   0.218
   31   1H4     C   3          1H4         C   3  17.953   3.717   4.094
   32   2H4     C   3          2H4         C   3  18.569   3.842   2.459
   33    H5     C   3           H5         C   3  16.003   2.352   4.645
   34    H6     C   3           H6         C   3  14.338   0.802   3.745
   35   1H5*    G   4          1H5*        G   4   9.451  -1.563  -2.030
   36   2H5*    G   4          2H5*        G   4  10.900  -0.710  -1.462
   37    H4*    G   4           H4*        G   4   8.192  -0.820  -0.149
   38    H3*    G   4           H3*        G   4   9.678   1.350  -1.596
   39    H2*    G   4          1H2*        G   4   9.020   2.936   0.015
   40   2HO*    G   4          2HO*        G   4   6.780   1.493  -0.103
   41    H1*    G   4           H1*        G   4   8.752   1.064   2.221
   42    H8     G   4           H8         G   4  10.087   2.352   3.918
   43    H1     G   4           H1         G   4  14.577   3.841  -0.410
   44   1H2     G   4          1H2         G   4  12.593   2.105  -2.627
   45   2H2     G   4          2H2         G   4  14.055   3.032  -2.363
   46   1H5*    C   5          1H5*        C   5   7.102   3.606  -4.598
   47   2H5*    C   5          2H5*        C   5   7.762   2.389  -5.705
   48    H4*    C   5           H4*        C   5   8.679   4.501  -6.280
   49    H3*    C   5           H3*        C   5  10.339   2.409  -5.974
   50    H2*    C   5          1H2*        C   5  10.879   2.855  -3.637
   51   2HO*    C   5          2HO*        C   5  12.689   4.235  -5.350
   52    H1*    C   5           H1*        C   5  11.129   5.807  -4.487
   53   1H4     C   5          1H4         C   5  10.563   5.893   2.092
   54   2H4     C   5          2H4         C   5  11.967   6.850   1.665
   55    H5     C   5           H5         C   5   9.257   4.693   0.436
   56    H6     C   5           H6         C   5   9.089   4.105  -1.930
   57   1H5*    G   6          1H5*        G   6   9.327   6.285  -9.177
   58   2H5*    G   6          2H5*        G   6   9.461   6.125  -7.414
   59    H4*    G   6           H4*        G   6   6.985   5.468  -9.001
   60    H3*    G   6           H3*        G   6   7.752   8.073  -7.707
   61    H2*    G   6          1H2*        G   6   5.496   8.330  -6.950
   62   2HO*    G   6          2HO*        G   6   4.976   7.018  -9.184
   63    H1*    G   6           H1*        G   6   5.102   5.585  -6.326
   64    H8     G   6           H8         G   6   4.449   6.337  -3.983
   65    H1     G   6           H1         G   6  10.248   8.891  -3.019
   66   1H2     G   6          1H2         G   6  10.763   8.230  -6.376
   67   2H2     G   6          2H2         G   6  11.409   8.881  -4.883
   68    H3T    G   6           H3T        G   6   7.687   8.362  -9.760
   69   1H5*    C   7          1H5*        C   7  15.987  12.702   0.338
   70   2H5*    C   7          2H5*        C   7  16.197  14.358  -0.252
   71    H4*    C   7           H4*        C   7  17.024  13.004  -1.945
   72    H3*    C   7           H3*        C   7  15.171  14.697  -2.738
   73    H2*    C   7          1H2*        C   7  13.194  13.386  -2.337
   74   2HO*    C   7          2HO*        C   7  14.214  12.983  -4.921
   75    H1*    C   7           H1*        C   7  14.430  10.846  -3.467
   76   1H4     C   7          1H4         C   7  10.343   9.276   1.481
   77   2H4     C   7          2H4         C   7   9.572   8.711   0.014
   78    H5     C   7           H5         C   7  12.408  10.541   1.473
   79    H6     C   7           H6         C   7  14.143  11.512   0.061
   80    H5T    C   7           H5T        C   7  14.132  14.146   0.591
   81   1H5*    G   8          1H5*        G   8  19.038  11.728  -4.504
   82   2H5*    G   8          2H5*        G   8  17.468  11.534  -3.712
   83    H4*    G   8           H4*        G   8  20.124  11.737  -2.291
   84    H3*    G   8           H3*        G   8  18.540   9.273  -3.051
   85    H2*    G   8          1H2*        G   8  19.174   8.330  -0.964
   86   2HO*    G   8          2HO*        G   8  21.434   9.484  -1.520
   87    H1*    G   8           H1*        G   8  19.332  10.902   0.395
   88    H8     G   8           H8         G   8  17.979  10.266   2.393
   89    H1     G   8           H1         G   8  13.507   7.424  -1.213
   90   1H2     G   8          1H2         G   8  15.513   8.357  -3.874
   91   2H2     G   8          2H2         G   8  14.044   7.565  -3.337
   92   1H5*    C   9          1H5*        C   9  20.615   6.267  -5.594
   93   2H5*    C   9          2H5*        C   9  19.337   6.892  -6.652
   94    H4*    C   9           H4*        C   9  18.953   4.598  -5.807
   95    H3*    C   9           H3*        C   9  17.016   6.608  -6.066
   96    H2*    C   9          1H2*        C   9  16.603   6.858  -3.728
   97   2HO*    C   9          2HO*        C   9  15.165   4.781  -4.842
   98    H1*    C   9           H1*        C   9  17.380   3.885  -3.440
   99   1H4     C   9          1H4         C   9  17.784   6.475   2.632
  100   2H4     C   9          2H4         C   9  16.422   5.373   2.643
  101    H5     C   9           H5         C   9  19.030   6.976   0.587
  102    H6     C   9           H6         C   9  19.145   6.573  -1.822
  103   1H5*    G  10          1H5*        G  10  18.383   1.802  -8.150
  104   2H5*    G  10          2H5*        G  10  18.000   2.266  -6.481
  105    H4*    G  10           H4*        G  10  20.677   2.374  -7.856
  106    H3*    G  10           H3*        G  10  19.541   0.592  -5.728
  107    H2*    G  10          1H2*        G  10  21.542   0.705  -4.490
  108   2HO*    G  10          2HO*        G  10  22.563   0.648  -6.956
  109    H1*    G  10           H1*        G  10  22.372   3.318  -5.439
  110    H8     G  10           H8         G  10  22.870   4.333  -3.194
  111    H1     G  10           H1         G  10  17.567   1.811  -0.623
  112   1H2     G  10          1H2         G  10  17.074   0.428  -3.741
  113   2H2     G  10          2H2         G  10  16.497   0.614  -2.098
  114   1H5*    C  11          1H5*        C  11  20.433  -3.825  -6.383
  115   2H5*    C  11          2H5*        C  11  18.839  -3.756  -7.156
  116    H4*    C  11           H4*        C  11  18.673  -5.020  -5.143
  117    H3*    C  11           H3*        C  11  16.875  -3.081  -5.647
  118    H2*    C  11          1H2*        C  11  18.029  -1.340  -4.388
  119   2HO*    C  11          2HO*        C  11  16.254  -2.771  -2.676
  120    H1*    C  11           H1*        C  11  18.463  -3.511  -2.241
  121   1H4     C  11          1H4         C  11  22.743   1.290  -0.747
  122   2H4     C  11          2H4         C  11  21.818   0.929   0.697
  123    H5     C  11           H5         C  11  22.283   0.225  -2.881
  124    H6     C  11           H6         C  11  20.806  -1.326  -4.061
  125   1H5*    G  12          1H5*        G  12  17.106  -8.012  -4.262
  126   2H5*    G  12          2H5*        G  12  18.017  -6.561  -3.800
  127    H4*    G  12           H4*        G  12  18.566  -8.224  -6.254
  128    H3*    G  12           H3*        G  12  19.763  -8.451  -3.507
  129    H2*    G  12          1H2*        G  12  21.924  -8.763  -4.481
  130   2HO*    G  12          2HO*        G  12  20.551  -9.961  -6.352
  131    H1*    G  12           H1*        G  12  21.569  -6.889  -6.581
  132    H8     G  12           H8         G  12  23.699  -5.768  -5.735
  133    H1     G  12           H1         G  12  20.936  -4.476  -0.095
  134   1H2     G  12          1H2         G  12  18.359  -6.475  -1.250
  135   2H2     G  12          2H2         G  12  18.990  -5.486   0.053
  136    H3T    G  12           H3T        G  12  18.347 -10.015  -4.408
  Start of MODEL   10
    1   1H5*    C   1          1H5*        C   1  19.975  -2.119   7.142
    2   2H5*    C   1          2H5*        C   1  20.039  -3.405   8.360
    3    H4*    C   1           H4*        C   1  17.957  -3.618   7.351
    4    H3*    C   1           H3*        C   1  19.392  -5.826   7.337
    5    H2*    C   1          1H2*        C   1  20.616  -5.518   5.286
    6   2HO*    C   1          2HO*        C   1  18.182  -6.863   4.862
    7    H1*    C   1           H1*        C   1  18.165  -4.528   3.777
    8   1H4     C   1          1H4         C   1  23.530  -1.444   1.467
    9   2H4     C   1          2H4         C   1  22.970  -2.489   0.178
   10    H5     C   1           H5         C   1  22.520  -1.422   3.664
   11    H6     C   1           H6         C   1  20.771  -2.384   5.062
   12    H5T    C   1           H5T        C   1  21.334  -4.610   6.999
   13   1H5*    G   2          1H5*        G   2  14.530  -4.096   6.873
   14   2H5*    G   2          2H5*        G   2  16.074  -3.953   6.017
   15    H4*    G   2           H4*        G   2  15.051  -2.049   8.124
   16    H3*    G   2           H3*        G   2  14.974  -1.811   5.107
   17    H2*    G   2          1H2*        G   2  15.423   0.509   5.375
   18   2HO*    G   2          2HO*        G   2  13.826   0.214   7.427
   19    H1*    G   2           H1*        G   2  16.954   0.144   7.828
   20    H8     G   2           H8         G   2  18.930   1.514   7.154
   21    H1     G   2           H1         G   2  19.137  -1.170   1.339
   22   1H2     G   2          1H2         G   2  16.386  -2.969   2.417
   23   2H2     G   2          2H2         G   2  17.526  -2.644   1.126
   24   1H5*    C   3          1H5*        C   3  10.938  -1.294   3.275
   25   2H5*    C   3          2H5*        C   3  11.444  -2.890   2.693
   26    H4*    C   3           H4*        C   3  11.464  -1.106   0.979
   27    H3*    C   3           H3*        C   3  13.397  -3.117   1.296
   28    H2*    C   3          1H2*        C   3  15.187  -1.653   1.886
   29   2HO*    C   3          2HO*        C   3  14.835  -1.837  -0.844
   30    H1*    C   3           H1*        C   3  13.772   0.507   0.196
   31   1H4     C   3          1H4         C   3  17.986   3.742   4.135
   32   2H4     C   3          2H4         C   3  18.594   3.908   2.499
   33    H5     C   3           H5         C   3  16.050   2.346   4.661
   34    H6     C   3           H6         C   3  14.393   0.807   3.732
   35   1H5*    G   4          1H5*        G   4   9.425  -1.564  -2.024
   36   2H5*    G   4          2H5*        G   4  10.865  -0.672  -1.496
   37    H4*    G   4           H4*        G   4   8.198  -0.858  -0.107
   38    H3*    G   4           H3*        G   4   9.568   1.344  -1.610
   39    H2*    G   4          1H2*        G   4   9.009   2.919   0.041
   40   2HO*    G   4          2HO*        G   4   6.743   1.503  -0.018
   41    H1*    G   4           H1*        G   4   8.742   1.012   2.237
   42    H8     G   4           H8         G   4  10.018   2.342   3.949
   43    H1     G   4           H1         G   4  14.575   3.875  -0.291
   44   1H2     G   4          1H2         G   4  12.637   2.114  -2.549
   45   2H2     G   4          2H2         G   4  14.089   3.049  -2.264
   46   1H5*    C   5          1H5*        C   5   6.974   3.490  -4.563
   47   2H5*    C   5          2H5*        C   5   7.719   2.333  -5.681
   48    H4*    C   5           H4*        C   5   8.554   4.521  -6.136
   49    H3*    C   5           H3*        C   5  10.268   2.441  -5.890
   50    H2*    C   5          1H2*        C   5  10.846   2.865  -3.565
   51   2HO*    C   5          2HO*        C   5  12.556   4.416  -5.246
   52    H1*    C   5           H1*        C   5  10.915   5.842  -4.369
   53   1H4     C   5          1H4         C   5  10.557   5.863   2.223
   54   2H4     C   5          2H4         C   5  11.961   6.809   1.770
   55    H5     C   5           H5         C   5   9.207   4.680   0.588
   56    H6     C   5           H6         C   5   8.984   4.108  -1.779
   57   1H5*    G   6          1H5*        G   6   9.044   6.172  -9.214
   58   2H5*    G   6          2H5*        G   6   9.224   6.142  -7.448
   59    H4*    G   6           H4*        G   6   6.756   5.290  -8.956
   60    H3*    G   6           H3*        G   6   7.444   7.959  -7.767
   61    H2*    G   6          1H2*        G   6   5.227   8.155  -6.898
   62   2HO*    G   6          2HO*        G   6   4.657   6.733  -9.072
   63    H1*    G   6           H1*        G   6   4.938   5.424  -6.189
   64    H8     G   6           H8         G   6   4.365   6.262  -3.851
   65    H1     G   6           H1         G   6  10.204   8.832  -3.196
   66   1H2     G   6          1H2         G   6  10.582   8.076  -6.548
   67   2H2     G   6          2H2         G   6  11.290   8.763  -5.100
   68    H3T    G   6           H3T        G   6   6.609   8.655  -9.550
   69   1H5*    C   7          1H5*        C   7  15.899  12.727   0.257
   70   2H5*    C   7          2H5*        C   7  16.086  14.381  -0.350
   71    H4*    C   7           H4*        C   7  17.027  13.032  -1.983
   72    H3*    C   7           H3*        C   7  15.157  14.653  -2.880
   73    H2*    C   7          1H2*        C   7  13.204  13.288  -2.554
   74   2HO*    C   7          2HO*        C   7  14.360  12.906  -5.074
   75    H1*    C   7           H1*        C   7  14.557  10.764  -3.576
   76   1H4     C   7          1H4         C   7  10.367   9.155   1.268
   77   2H4     C   7          2H4         C   7   9.642   8.568  -0.212
   78    H5     C   7           H5         C   7  12.401  10.462   1.300
   79    H6     C   7           H6         C   7  14.150  11.457  -0.074
   80    H5T    C   7           H5T        C   7  13.937  14.393  -0.942
   81   1H5*    G   8          1H5*        G   8  19.029  11.666  -4.491
   82   2H5*    G   8          2H5*        G   8  17.462  11.571  -3.674
   83    H4*    G   8           H4*        G   8  20.099  11.784  -2.230
   84    H3*    G   8           H3*        G   8  18.637   9.280  -3.081
   85    H2*    G   8          1H2*        G   8  19.098   8.342  -0.960
   86   2HO*    G   8          2HO*        G   8  21.412   9.482  -1.391
   87    H1*    G   8           H1*        G   8  19.299  10.935   0.399
   88    H8     G   8           H8         G   8  17.929  10.410   2.415
   89    H1     G   8           H1         G   8  13.516   7.311  -1.048
   90   1H2     G   8          1H2         G   8  15.529   8.103  -3.748
   91   2H2     G   8          2H2         G   8  14.066   7.331  -3.174
   92   1H5*    C   9          1H5*        C   9  20.895   6.299  -5.492
   93   2H5*    C   9          2H5*        C   9  19.718   6.989  -6.622
   94    H4*    C   9           H4*        C   9  19.220   4.679  -5.895
   95    H3*    C   9           H3*        C   9  17.353   6.737  -6.223
   96    H2*    C   9          1H2*        C   9  16.772   6.938  -3.917
   97   2HO*    C   9          2HO*        C   9  15.346   5.006  -5.227
   98    H1*    C   9           H1*        C   9  17.451   3.940  -3.635
   99   1H4     C   9          1H4         C   9  17.642   6.412   2.493
  100   2H4     C   9          2H4         C   9  16.277   5.317   2.440
  101    H5     C   9           H5         C   9  18.951   6.955   0.510
  102    H6     C   9           H6         C   9  19.161   6.600  -1.899
  103   1H5*    G  10          1H5*        G  10  18.744   1.917  -8.239
  104   2H5*    G  10          2H5*        G  10  18.249   2.404  -6.607
  105    H4*    G  10           H4*        G  10  21.026   2.405  -7.769
  106    H3*    G  10           H3*        G  10  19.670   0.714  -5.684
  107    H2*    G  10          1H2*        G  10  21.641   0.713  -4.389
  108   2HO*    G  10          2HO*        G  10  22.740   0.675  -6.839
  109    H1*    G  10           H1*        G  10  22.590   3.301  -5.294
  110    H8     G  10           H8         G  10  23.029   4.306  -3.037
  111    H1     G  10           H1         G  10  17.564   1.942  -0.657
  112   1H2     G  10          1H2         G  10  17.134   0.579  -3.787
  113   2H2     G  10          2H2         G  10  16.509   0.784  -2.164
  114   1H5*    C  11          1H5*        C  11  20.443  -3.766  -6.322
  115   2H5*    C  11          2H5*        C  11  18.868  -3.657  -7.129
  116    H4*    C  11           H4*        C  11  18.632  -4.939  -5.136
  117    H3*    C  11           H3*        C  11  16.894  -2.945  -5.657
  118    H2*    C  11          1H2*        C  11  18.043  -1.253  -4.337
  119   2HO*    C  11          2HO*        C  11  16.229  -2.688  -2.666
  120    H1*    C  11           H1*        C  11  18.400  -3.464  -2.218
  121   1H4     C  11          1H4         C  11  22.720   1.265  -0.600
  122   2H4     C  11          2H4         C  11  21.790   0.872   0.832
  123    H5     C  11           H5         C  11  22.264   0.251  -2.758
  124    H6     C  11           H6         C  11  20.780  -1.260  -3.981
  125   1H5*    G  12          1H5*        G  12  16.938  -7.888  -4.348
  126   2H5*    G  12          2H5*        G  12  17.894  -6.471  -3.873
  127    H4*    G  12           H4*        G  12  18.410  -8.141  -6.328
  128    H3*    G  12           H3*        G  12  19.568  -8.427  -3.569
  129    H2*    G  12          1H2*        G  12  21.724  -8.820  -4.528
  130   2HO*    G  12          2HO*        G  12  20.558  -8.852  -7.123
  131    H1*    G  12           H1*        G  12  21.457  -6.923  -6.621
  132    H8     G  12           H8         G  12  23.618  -5.880  -5.769
  133    H1     G  12           H1         G  12  20.907  -4.532  -0.117
  134   1H2     G  12          1H2         G  12  18.260  -6.432  -1.278
  135   2H2     G  12          2H2         G  12  18.929  -5.474   0.028
  136    H3T    G  12           H3T        G  12  19.588 -10.464  -5.362
  Start of MODEL   11
    1   1H5*    C   1          1H5*        C   1  20.009  -2.017   7.104
    2   2H5*    C   1          2H5*        C   1  20.172  -3.339   8.271
    3    H4*    C   1           H4*        C   1  18.064  -3.574   7.276
    4    H3*    C   1           H3*        C   1  19.567  -5.737   7.296
    5    H2*    C   1          1H2*        C   1  20.775  -5.410   5.235
    6   2HO*    C   1          2HO*        C   1  18.565  -7.025   5.035
    7    H1*    C   1           H1*        C   1  18.260  -4.550   3.742
    8   1H4     C   1          1H4         C   1  23.472  -1.378   1.203
    9   2H4     C   1          2H4         C   1  22.905  -2.474  -0.039
   10    H5     C   1           H5         C   1  22.521  -1.326   3.430
   11    H6     C   1           H6         C   1  20.837  -2.299   4.901
   12    H5T    C   1           H5T        C   1  21.553  -4.381   6.919
   13   1H5*    G   2          1H5*        G   2  14.620  -4.139   6.984
   14   2H5*    G   2          2H5*        G   2  16.088  -3.965   6.009
   15    H4*    G   2           H4*        G   2  15.110  -2.066   8.144
   16    H3*    G   2           H3*        G   2  15.033  -1.842   5.124
   17    H2*    G   2          1H2*        G   2  15.416   0.491   5.397
   18   2HO*    G   2          2HO*        G   2  13.809   0.194   7.402
   19    H1*    G   2           H1*        G   2  16.977   0.158   7.831
   20    H8     G   2           H8         G   2  18.929   1.552   7.132
   21    H1     G   2           H1         G   2  19.097  -1.137   1.319
   22   1H2     G   2          1H2         G   2  16.382  -2.966   2.430
   23   2H2     G   2          2H2         G   2  17.504  -2.631   1.126
   24   1H5*    C   3          1H5*        C   3  10.939  -1.370   3.364
   25   2H5*    C   3          2H5*        C   3  11.432  -2.955   2.742
   26    H4*    C   3           H4*        C   3  11.397  -1.148   1.054
   27    H3*    C   3           H3*        C   3  13.345  -3.150   1.287
   28    H2*    C   3          1H2*        C   3  15.139  -1.696   1.873
   29   2HO*    C   3          2HO*        C   3  15.541  -0.530  -0.450
   30    H1*    C   3           H1*        C   3  13.695   0.492   0.246
   31   1H4     C   3          1H4         C   3  17.941   3.709   4.153
   32   2H4     C   3          2H4         C   3  18.563   3.845   2.521
   33    H5     C   3           H5         C   3  15.991   2.333   4.687
   34    H6     C   3           H6         C   3  14.330   0.792   3.767
   35   1H5*    G   4          1H5*        G   4   9.436  -1.549  -2.102
   36   2H5*    G   4          2H5*        G   4  10.864  -0.700  -1.481
   37    H4*    G   4           H4*        G   4   8.127  -0.857  -0.234
   38    H3*    G   4           H3*        G   4   9.623   1.350  -1.608
   39    H2*    G   4          1H2*        G   4   8.933   2.902   0.023
   40   2HO*    G   4          2HO*        G   4   6.705   1.447  -0.155
   41    H1*    G   4           H1*        G   4   8.650   1.000   2.195
   42    H8     G   4           H8         G   4   9.963   2.287   3.909
   43    H1     G   4           H1         G   4  14.513   3.770  -0.356
   44   1H2     G   4          1H2         G   4  12.558   2.026  -2.597
   45   2H2     G   4          2H2         G   4  14.022   2.947  -2.315
   46   1H5*    C   5          1H5*        C   5   7.120   3.620  -4.675
   47   2H5*    C   5          2H5*        C   5   7.912   2.453  -5.750
   48    H4*    C   5           H4*        C   5   8.761   4.656  -6.165
   49    H3*    C   5           H3*        C   5  10.444   2.562  -5.917
   50    H2*    C   5          1H2*        C   5  10.913   2.907  -3.550
   51   2HO*    C   5          2HO*        C   5  12.880   4.637  -3.931
   52    H1*    C   5           H1*        C   5  11.104   5.898  -4.271
   53   1H4     C   5          1H4         C   5  10.459   5.774   2.297
   54   2H4     C   5          2H4         C   5  11.885   6.719   1.917
   55    H5     C   5           H5         C   5   9.167   4.632   0.581
   56    H6     C   5           H6         C   5   9.036   4.118  -1.808
   57   1H5*    G   6          1H5*        G   6   9.427   6.383  -9.167
   58   2H5*    G   6          2H5*        G   6   9.482   6.271  -7.396
   59    H4*    G   6           H4*        G   6   7.131   5.466  -9.105
   60    H3*    G   6           H3*        G   6   7.706   8.099  -7.780
   61    H2*    G   6          1H2*        G   6   5.424   8.247  -7.082
   62   2HO*    G   6          2HO*        G   6   5.005   6.978  -9.337
   63    H1*    G   6           H1*        G   6   5.124   5.496  -6.467
   64    H8     G   6           H8         G   6   4.380   6.282  -4.150
   65    H1     G   6           H1         G   6  10.138   8.884  -3.056
   66   1H2     G   6          1H2         G   6  10.740   8.194  -6.392
   67   2H2     G   6          2H2         G   6  11.348   8.865  -4.892
   68    H3T    G   6           H3T        G   6   7.757   7.894 -10.016
   69   1H5*    C   7          1H5*        C   7  15.963  12.715   0.266
   70   2H5*    C   7          2H5*        C   7  16.190  14.373  -0.316
   71    H4*    C   7           H4*        C   7  17.058  13.012  -1.986
   72    H3*    C   7           H3*        C   7  15.243  14.725  -2.825
   73    H2*    C   7          1H2*        C   7  13.245  13.425  -2.483
   74   2HO*    C   7          2HO*        C   7  14.301  13.223  -5.030
   75    H1*    C   7           H1*        C   7  14.499  10.887  -3.598
   76   1H4     C   7          1H4         C   7  10.262   9.280   1.208
   77   2H4     C   7          2H4         C   7   9.558   8.692  -0.283
   78    H5     C   7           H5         C   7  12.299  10.580   1.270
   79    H6     C   7           H6         C   7  14.073  11.568  -0.078
   80    H5T    C   7           H5T        C   7  14.034  14.470  -0.856
   81   1H5*    G   8          1H5*        G   8  19.092  11.698  -4.497
   82   2H5*    G   8          2H5*        G   8  17.506  11.547  -3.726
   83    H4*    G   8           H4*        G   8  20.142  11.696  -2.263
   84    H3*    G   8           H3*        G   8  18.522   9.261  -3.046
   85    H2*    G   8          1H2*        G   8  19.101   8.311  -0.947
   86   2HO*    G   8          2HO*        G   8  21.394   9.459  -1.470
   87    H1*    G   8           H1*        G   8  19.305  10.889   0.403
   88    H8     G   8           H8         G   8  17.917  10.304   2.396
   89    H1     G   8           H1         G   8  13.451   7.472  -1.223
   90   1H2     G   8          1H2         G   8  15.492   8.342  -3.871
   91   2H2     G   8          2H2         G   8  14.009   7.576  -3.337
   92   1H5*    C   9          1H5*        C   9  20.606   6.222  -5.537
   93   2H5*    C   9          2H5*        C   9  19.347   6.835  -6.623
   94    H4*    C   9           H4*        C   9  18.946   4.554  -5.750
   95    H3*    C   9           H3*        C   9  17.015   6.573  -6.056
   96    H2*    C   9          1H2*        C   9  16.532   6.812  -3.733
   97   2HO*    C   9          2HO*        C   9  15.146   4.731  -4.889
   98    H1*    C   9           H1*        C   9  17.352   3.853  -3.417
   99   1H4     C   9          1H4         C   9  17.632   6.463   2.652
  100   2H4     C   9          2H4         C   9  16.271   5.358   2.644
  101    H5     C   9           H5         C   9  18.908   6.964   0.628
  102    H6     C   9           H6         C   9  19.068   6.552  -1.778
  103   1H5*    G  10          1H5*        G  10  18.451   1.782  -8.091
  104   2H5*    G  10          2H5*        G  10  18.051   2.266  -6.432
  105    H4*    G  10           H4*        G  10  20.739   2.373  -7.785
  106    H3*    G  10           H3*        G  10  19.605   0.618  -5.631
  107    H2*    G  10          1H2*        G  10  21.608   0.761  -4.400
  108   2HO*    G  10          2HO*        G  10  22.628   0.704  -6.873
  109    H1*    G  10           H1*        G  10  22.408   3.374  -5.371
  110    H8     G  10           H8         G  10  22.903   4.373  -3.113
  111    H1     G  10           H1         G  10  17.548   1.903  -0.601
  112   1H2     G  10          1H2         G  10  17.069   0.540  -3.732
  113   2H2     G  10          2H2         G  10  16.472   0.732  -2.099
  114   1H5*    C  11          1H5*        C  11  20.427  -3.838  -6.288
  115   2H5*    C  11          2H5*        C  11  18.821  -3.721  -7.028
  116    H4*    C  11           H4*        C  11  18.694  -4.985  -4.995
  117    H3*    C  11           H3*        C  11  16.891  -3.054  -5.519
  118    H2*    C  11          1H2*        C  11  18.058  -1.294  -4.298
  119   2HO*    C  11          2HO*        C  11  16.307  -2.683  -2.517
  120    H1*    C  11           H1*        C  11  18.498  -3.434  -2.122
  121   1H4     C  11          1H4         C  11  22.784   1.378  -0.687
  122   2H4     C  11          2H4         C  11  21.842   1.052   0.755
  123    H5     C  11           H5         C  11  22.337   0.269  -2.804
  124    H6     C  11           H6         C  11  20.857  -1.295  -3.964
  125   1H5*    G  12          1H5*        G  12  16.984  -7.969  -4.178
  126   2H5*    G  12          2H5*        G  12  17.984  -6.566  -3.756
  127    H4*    G  12           H4*        G  12  18.327  -8.245  -6.237
  128    H3*    G  12           H3*        G  12  19.637  -8.532  -3.552
  129    H2*    G  12          1H2*        G  12  21.749  -8.907  -4.608
  130   2HO*    G  12          2HO*        G  12  20.227 -10.006  -6.456
  131    H1*    G  12           H1*        G  12  21.391  -7.016  -6.687
  132    H8     G  12           H8         G  12  23.594  -5.994  -5.882
  133    H1     G  12           H1         G  12  20.976  -4.537  -0.212
  134   1H2     G  12          1H2         G  12  18.303  -6.444  -1.304
  135   2H2     G  12          2H2         G  12  18.994  -5.471  -0.023
  136    H3T    G  12           H3T        G  12  18.415 -10.188  -3.998
  Start of MODEL   12
    1   1H5*    C   1          1H5*        C   1  19.930  -1.967   7.146
    2   2H5*    C   1          2H5*        C   1  19.989  -3.230   8.387
    3    H4*    C   1           H4*        C   1  17.924  -3.495   7.373
    4    H3*    C   1           H3*        C   1  19.388  -5.680   7.366
    5    H2*    C   1          1H2*        C   1  20.620  -5.353   5.322
    6   2HO*    C   1          2HO*        C   1  18.234  -6.767   4.922
    7    H1*    C   1           H1*        C   1  18.159  -4.408   3.797
    8   1H4     C   1          1H4         C   1  23.481  -1.230   1.512
    9   2H4     C   1          2H4         C   1  22.954  -2.295   0.225
   10    H5     C   1           H5         C   1  22.450  -1.214   3.702
   11    H6     C   1           H6         C   1  20.709  -2.205   5.090
   12    H5T    C   1           H5T        C   1  21.805  -3.726   7.449
   13   1H5*    G   2          1H5*        G   2  14.521  -4.022   6.807
   14   2H5*    G   2          2H5*        G   2  16.093  -3.873   6.005
   15    H4*    G   2           H4*        G   2  15.030  -1.967   8.091
   16    H3*    G   2           H3*        G   2  14.894  -1.757   5.074
   17    H2*    G   2          1H2*        G   2  15.339   0.566   5.302
   18   2HO*    G   2          2HO*        G   2  13.764   0.295   7.372
   19    H1*    G   2           H1*        G   2  16.893   0.247   7.750
   20    H8     G   2           H8         G   2  18.839   1.645   7.050
   21    H1     G   2           H1         G   2  19.066  -1.098   1.263
   22   1H2     G   2          1H2         G   2  16.351  -2.931   2.369
   23   2H2     G   2          2H2         G   2  17.481  -2.601   1.072
   24   1H5*    C   3          1H5*        C   3  10.858  -1.308   3.260
   25   2H5*    C   3          2H5*        C   3  11.389  -2.910   2.716
   26    H4*    C   3           H4*        C   3  11.389  -1.161   0.963
   27    H3*    C   3           H3*        C   3  13.348  -3.140   1.327
   28    H2*    C   3          1H2*        C   3  15.115  -1.641   1.897
   29   2HO*    C   3          2HO*        C   3  14.784  -1.905  -0.826
   30    H1*    C   3           H1*        C   3  13.675   0.462   0.153
   31   1H4     C   3          1H4         C   3  17.833   3.859   4.010
   32   2H4     C   3          2H4         C   3  18.438   3.995   2.372
   33    H5     C   3           H5         C   3  15.923   2.439   4.574
   34    H6     C   3           H6         C   3  14.292   0.851   3.683
   35   1H5*    G   4          1H5*        G   4   9.464  -1.615  -2.095
   36   2H5*    G   4          2H5*        G   4  10.885  -0.744  -1.489
   37    H4*    G   4           H4*        G   4   8.153  -0.913  -0.230
   38    H3*    G   4           H3*        G   4   9.627   1.297  -1.630
   39    H2*    G   4          1H2*        G   4   8.890   2.860  -0.026
   40   2HO*    G   4          2HO*        G   4   6.694   1.361  -0.195
   41    H1*    G   4           H1*        G   4   8.652   0.980   2.170
   42    H8     G   4           H8         G   4   9.932   2.343   3.855
   43    H1     G   4           H1         G   4  14.476   3.788  -0.427
   44   1H2     G   4          1H2         G   4  12.550   1.962  -2.635
   45   2H2     G   4          2H2         G   4  13.999   2.910  -2.371
   46   1H5*    C   5          1H5*        C   5   7.142   3.573  -4.613
   47   2H5*    C   5          2H5*        C   5   7.833   2.400  -5.748
   48    H4*    C   5           H4*        C   5   8.744   4.546  -6.215
   49    H3*    C   5           H3*        C   5  10.399   2.435  -5.969
   50    H2*    C   5          1H2*        C   5  10.929   2.810  -3.620
   51   2HO*    C   5          2HO*        C   5  12.915   4.500  -4.067
   52    H1*    C   5           H1*        C   5  11.155   5.787  -4.392
   53   1H4     C   5          1H4         C   5  10.631   5.762   2.188
   54   2H4     C   5          2H4         C   5  12.054   6.696   1.769
   55    H5     C   5           H5         C   5   9.304   4.600   0.516
   56    H6     C   5           H6         C   5   9.115   4.064  -1.862
   57   1H5*    G   6          1H5*        G   6   9.374   6.387  -9.086
   58   2H5*    G   6          2H5*        G   6   9.519   6.202  -7.327
   59    H4*    G   6           H4*        G   6   7.036   5.590  -8.924
   60    H3*    G   6           H3*        G   6   7.818   8.138  -7.532
   61    H2*    G   6          1H2*        G   6   5.574   8.375  -6.737
   62   2HO*    G   6          2HO*        G   6   5.010   7.193  -9.020
   63    H1*    G   6           H1*        G   6   5.165   5.614  -6.220
   64    H8     G   6           H8         G   6   4.540   6.309  -3.844
   65    H1     G   6           H1         G   6  10.413   8.683  -2.856
   66   1H2     G   6          1H2         G   6  10.873   8.128  -6.242
   67   2H2     G   6          2H2         G   6  11.552   8.710  -4.736
   68    H3T    G   6           H3T        G   6   7.722   8.530  -9.562
   69   1H5*    C   7          1H5*        C   7  16.129  12.637   0.401
   70   2H5*    C   7          2H5*        C   7  16.268  14.295  -0.209
   71    H4*    C   7           H4*        C   7  17.087  12.937  -1.909
   72    H3*    C   7           H3*        C   7  15.176  14.591  -2.659
   73    H2*    C   7          1H2*        C   7  13.238  13.237  -2.219
   74   2HO*    C   7          2HO*        C   7  14.211  12.903  -4.817
   75    H1*    C   7           H1*        C   7  14.511  10.720  -3.357
   76   1H4     C   7          1H4         C   7  10.518   9.110   1.657
   77   2H4     C   7          2H4         C   7   9.749   8.511   0.201
   78    H5     C   7           H5         C   7  12.554  10.423   1.614
   79    H6     C   7           H6         C   7  14.254  11.417   0.173
   80    H5T    C   7           H5T        C   7  14.078  14.304  -0.642
   81   1H5*    G   8          1H5*        G   8  19.035  11.683  -4.540
   82   2H5*    G   8          2H5*        G   8  17.487  11.481  -3.707
   83    H4*    G   8           H4*        G   8  20.180  11.678  -2.360
   84    H3*    G   8           H3*        G   8  18.569   9.221  -3.092
   85    H2*    G   8          1H2*        G   8  19.245   8.264  -1.025
   86   2HO*    G   8          2HO*        G   8  21.499   9.432  -1.631
   87    H1*    G   8           H1*        G   8  19.467  10.830   0.342
   88    H8     G   8           H8         G   8  18.162  10.218   2.379
   89    H1     G   8           H1         G   8  13.593   7.355  -1.087
   90   1H2     G   8          1H2         G   8  15.526   8.276  -3.805
   91   2H2     G   8          2H2         G   8  14.071   7.489  -3.226
   92   1H5*    C   9          1H5*        C   9  20.607   6.229  -5.677
   93   2H5*    C   9          2H5*        C   9  19.361   6.877  -6.758
   94    H4*    C   9           H4*        C   9  18.939   4.578  -5.930
   95    H3*    C   9           H3*        C   9  17.028   6.602  -6.251
   96    H2*    C   9          1H2*        C   9  16.540   6.861  -3.930
   97   2HO*    C   9          2HO*        C   9  15.116   4.815  -5.099
   98    H1*    C   9           H1*        C   9  17.283   3.882  -3.603
   99   1H4     C   9          1H4         C   9  17.504   6.555   2.447
  100   2H4     C   9          2H4         C   9  16.132   5.466   2.428
  101    H5     C   9           H5         C   9  18.829   7.003   0.444
  102    H6     C   9           H6         C   9  19.025   6.562  -1.953
  103   1H5*    G  10          1H5*        G  10  18.449   1.787  -8.241
  104   2H5*    G  10          2H5*        G  10  18.017   2.274  -6.591
  105    H4*    G  10           H4*        G  10  20.734   2.370  -7.887
  106    H3*    G  10           H3*        G  10  19.539   0.613  -5.767
  107    H2*    G  10          1H2*        G  10  21.516   0.734  -4.491
  108   2HO*    G  10          2HO*        G  10  22.585   0.640  -6.934
  109    H1*    G  10           H1*        G  10  22.368   3.336  -5.465
  110    H8     G  10           H8         G  10  22.849   4.373  -3.224
  111    H1     G  10           H1         G  10  17.507   1.903  -0.680
  112   1H2     G  10          1H2         G  10  17.042   0.484  -3.789
  113   2H2     G  10          2H2         G  10  16.447   0.693  -2.155
  114   1H5*    C  11          1H5*        C  11  20.480  -3.805  -6.336
  115   2H5*    C  11          2H5*        C  11  18.908  -3.769  -7.155
  116    H4*    C  11           H4*        C  11  18.689  -5.010  -5.140
  117    H3*    C  11           H3*        C  11  16.902  -3.072  -5.698
  118    H2*    C  11          1H2*        C  11  18.009  -1.326  -4.410
  119   2HO*    C  11          2HO*        C  11  16.187  -2.771  -2.767
  120    H1*    C  11           H1*        C  11  18.413  -3.487  -2.249
  121   1H4     C  11          1H4         C  11  22.624   1.364  -0.711
  122   2H4     C  11          2H4         C  11  21.692   0.986   0.725
  123    H5     C  11           H5         C  11  22.200   0.294  -2.850
  124    H6     C  11           H6         C  11  20.757  -1.278  -4.045
  125   1H5*    G  12          1H5*        G  12  17.109  -7.981  -4.258
  126   2H5*    G  12          2H5*        G  12  18.005  -6.516  -3.811
  127    H4*    G  12           H4*        G  12  18.611  -8.224  -6.219
  128    H3*    G  12           H3*        G  12  19.747  -8.407  -3.442
  129    H2*    G  12          1H2*        G  12  21.925  -8.749  -4.370
  130   2HO*    G  12          2HO*        G  12  20.568  -9.960  -6.253
  131    H1*    G  12           H1*        G  12  21.614  -6.912  -6.511
  132    H8     G  12           H8         G  12  23.731  -5.773  -5.665
  133    H1     G  12           H1         G  12  20.929  -4.406  -0.063
  134   1H2     G  12          1H2         G  12  18.356  -6.414  -1.212
  135   2H2     G  12          2H2         G  12  18.979  -5.410   0.083
  136    H3T    G  12           H3T        G  12  18.358  -9.993  -4.282