*HEADER    DNA                                     19-SEP-00   1FV8              
*TITLE     NMR STUDY OF AN HETEROCHIRAL HAIRPIN                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-D(*TP*AP*TP*CP*AP*(DRT)P*CP*GP*AP*TP*A)-3';             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: AT(L)C HAIRPIN;                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE COMES FROM A PBR322                     
*SOURCE   4 TOPOISOMERASE II CLEAVAGE SITE                                       
*KEYWDS    HAIRPIN, HETEROCHIRAL LOOP, FLEXIBILTY, ANTISENSE DNA                 
*EXPDTA    NMR, 11 STRUCTURES                                                    
*AUTHOR    C.EL AMRI, O.MAUFFRET, F.SANTAMARIA, B.RAYNER, S.FERMANDJIAN          
*REVDAT   1   11-OCT-00 1FV8    0                                                
#HBOND CONSTRAINTS
       { T                            A  }
        assign (resid 1 and name N3) (resid 11 and name N1)  2.9 0.3 0.3
        assign (resid 1 and name O4) (resid 11 and name N6)  2.9 0.3 0.3


        { A                            T  }
        assign (resid 2 and name N1) (resid 10 and name N3)  2.9 0.3 0.3
        assign (resid 2 and name N6) (resid 10 and name O4)  2.9 0.3 0.3

        { T                            A  }
        assign (resid 3 and name N3) (resid 9 and name N1)  2.9 0.3 0.3
        assign (resid 3 and name O4) (resid 9 and name N6)  2.9 0.3 0.3



        {  C                           G }
        assign (resid 4 and name N3) (resid 8 and name N1) 2.9 0.3 0.3
        assign (resid 4 and name N4) (resid 8 and name O6) 2.9 0.3 0.3
        assign (resid 4 and name O2) (resid 8 and name N2) 2.9 0.3 0.3

#PLANARITY CONSTRAINTS
group
selection=(
        (resid 1 and name N1) or
        (resid 1 and name N3) or
        (resid 1 and name C5) or
        (resid 11 and name N1) or
        (resid 11 and name N3) or
        (resid 11 and name C5)
    )
weight=10.0
end
group
selection=(
        (resid 2 and name N1) or
        (resid 2 and name N3) or
        (resid 2 and name C5) or
        (resid 10 and name N1) or
        (resid 10 and name N3) or
        (resid 10 and name C5)
    )
weight=10.0
end
group
selection=(
        (resid 3 and name N1) or
        (resid 3 and name N3) or
        (resid 3 and name C5) or
        (resid 9 and name N1) or
        (resid 9 and name N3) or
        (resid 9 and name C5)
    )
weight=10.0
end
group
selection=(
        (resid 4 and name N1) or
        (resid 4 and name N3) or
        (resid 4 and name C5) or
        (resid 8 and name N1) or
        (resid 8 and name N3) or
        (resid 8 and name C5)
    )
weight=10.0
end

#DIHEDRAL CONSTRAINTS

!dihedral restraints on epsilon, zeta, alpha and beta.

!STRAND 1
!EPSILON;BETA;ZETA;ALPHA. Description du squelette phosphodiester

assign  (resid  1 and name  c4') (resid  1 and name  c3')
        (resid  1 and name  o3') (resid  2 and name   p ) 1.0 170.0 50.0 2

assign  (resid  1 and name  c3') (resid  1 and name  o3')
        (resid  2 and name   p ) (resid  2 and name  o5') 1 275.0  50.0 2




assign  (resid  1 and name  o3') (resid  2 and name   p )
        (resid  2 and name  o5') (resid  2 and name  c5') 1 300  50.0  2

assign (resid 2 and name p) (resid 2 and name o5') 
       (resid 2 and name c5') (resid 2 and name c4')  1 175 50.0 2

assign (resid 2 and name o5') (resid 2 and name c5')
       (resid 2 and name c4') (resid 2 and name c3') 1 60 30.0 2

assign (resid 2 and name c4') (resid 2 and name c3')
       (resid 2 and name o3') (resid 3 and name p) 1.0 170.0 50.0 2

assign (resid 2 and name c3') (resid 2 and name o3')
       (resid 3 and name p) (resid 3 and name o5') 1.0 275 50.0 2



assign  (resid  2 and name  o3') (resid  3 and name   p )
        (resid  3 and name  o5') (resid  3 and name  c5') 1 300  50.0  2

assign (resid 3 and name p) (resid 3 and name o5') 
       (resid 3 and name c5') (resid 3 and name c4')  1 175 50.0 2
 
assign (resid 3 and name o5') (resid 3 and name c5')
       (resid 3 and name c4') (resid 3 and name c3') 1 60 30.0 2
 
assign (resid 3 and name c4') (resid 3 and name c3')
       (resid 3 and name o3') (resid 4 and name p) 1.0 170.0 50.0 2

assign (resid 3 and name c3') (resid 3 and name o3')
       (resid 4 and name p) (resid 4 and name o5') 1.0 275 50.0 2



assign  (resid  3 and name  o3') (resid  4 and name   p )
        (resid  4 and name  o5') (resid  4 and name  c5') 1 300  50.0  2

assign (resid 4 and name c4') (resid 4 and name c3')
       (resid 4 and name o3') (resid 5 and name p) 1.0 170.0 50.0 2

assign (resid 4 and name c3') (resid 4 and name o3')
       (resid 5 and name p) (resid 5 and name o5') 1.0 275 50.0 2


assign  (resid  4 and name  o3') (resid  5 and name   p )
        (resid  5 and name  o5') (resid  5 and name  c5') 1 300  50.0  2

assign (resid 5 and name p) (resid 5 and name o5')
       (resid 5 and name c5') (resid 5 and name c4')  1 175 50.0 2

assign (resid 5 and name o5') (resid 5 and name c5')
       (resid 5 and name c4') (resid 5 and name c3') 1 60 30.0 2


assign (resid 5 and name c3') (resid 5 and name o3')
       (resid 6 and name p) (resid 6 and name o5') 1.0 275 50.0 2



assign  (resid  5 and name  o3') (resid  6 and name   p )
        (resid  6 and name  o5') (resid  6 and name  c5') 1 300  50.0  2


assign (resid 6 and name c3') (resid 6 and name o3')
       (resid 7 and name p) (resid 7 and name o5') 1.0 275 50.0 2



assign  (resid  6 and name  o3') (resid  7 and name   p )
        (resid  7 and name  o5') (resid  7 and name  c5') 1 300  50.0  2

assign (resid 7 and name p) (resid 7 and name o5') 
       (resid 7 and name c5') (resid 7 and name c4')  1 175 50.0 2
 
assign (resid 7 and name o5') (resid 7 and name c5')
       (resid 7 and name c4') (resid 7 and name c3') 1 60 30.0 2
 

assign (resid 7 and name c3') (resid 7 and name o3')
       (resid 8 and name p) (resid 8 and name o5') 1.0 275 50.0 2



assign  (resid  7 and name  o3') (resid  8 and name   p )
        (resid  8 and name  o5') (resid  8 and name  c5') 1 300  50.0  2


assign (resid 8 and name c3') (resid 8 and name o3')
       (resid 9 and name p) (resid 9 and name o5') 1.0 275 50.0 2


assign  (resid  8 and name  o3') (resid  9 and name   p )
        (resid  9 and name  o5') (resid  9 and name  c5') 1 300  50.0  2

assign (resid 9 and name p) (resid 9 and name o5') 
       (resid 9 and name c5') (resid 9 and name c4')  1 175 50.0 2
 
assign (resid 9 and name o5') (resid 9 and name c5')
       (resid 9 and name c4') (resid 9 and name c3') 1 60 30.0 2
 
assign (resid 9 and name c4') (resid 9 and name c3')
       (resid 9 and name o3') (resid 10 and name p) 1.0 170.0 50.0 2

assign (resid 9 and name c3') (resid 9 and name o3')
       (resid 10 and name p) (resid 10 and name o5') 1.0 275 50.0 2



assign  (resid  9 and name  o3') (resid 10 and name   p )
        (resid  10 and name  o5') (resid  10 and name  c5') 1 300  50.0  2

assign (resid 10 and name p) (resid 10 and name o5') 
       (resid 10 and name c5') (resid 10 and name c4')  1 175 50.0 2
 
assign (resid 10 and name o5') (resid 10 and name c5')
       (resid 10 and name c4') (resid 10 and name c3') 1 60 30.0 2
 
assign (resid 10 and name c4') (resid 10 and name c3')
       (resid 10 and name o3') (resid 11 and name p) 1.0 170.0 50.0 2

assign (resid 10 and name c3') (resid 10 and name o3')
       (resid 11 and name p) (resid 11 and name o5') 1.0 275 50.0 2



!dihedral restrainst on delta from 1'2' coupling constants
!constrained to greater than 110; DELTA

assign (resid 1 and name c5') (resid 1 and name c4')
       (resid 1 and name c3') (resid 1 and name o3')    1.0  140.0 20.0 2

assign (resid 2 and name c5') (resid 2 and name c4')
       (resid 2 and name c3') (resid 2 and name o3')    1.0  140.0 20.0 2

assign (resid 3 and name c5') (resid 3 and name c4')
       (resid 3 and name c3') (resid 3 and name o3')    1.0  140.0 20.0 2

assign (resid 4 and name c5') (resid 4 and name c4')
       (resid 4 and name c3') (resid 4 and name o3')    1.0  140.0 20.0 2

assign (resid 5 and name c5') (resid 5 and name c4')
       (resid 5 and name c3') (resid 5 and name o3')    1.0  140.0 35.0 2


assign (resid 7 and name c5') (resid 7 and name c4')
       (resid 7 and name c3') (resid 7 and name o3')    1.0  140.0 35.0 2

assign (resid 8 and name c5') (resid 8 and name c4')
       (resid 8 and name c3') (resid 8 and name o3')    1.0  140.0 20.0 2

assign (resid 9 and name c5') (resid 9 and name c4')
       (resid 9 and name c3') (resid 9 and name o3')    1.0  140.0 20.0 2 

assign (resid 10 and name c5') (resid 10 and name c4')
       (resid 10 and name c3') (resid 10 and name o3')    1.0  140.0 20.0 2

assign (resid 11 and name c5') (resid 11 and name c4')
       (resid 11 and name c3') (resid 11 and name o3')    1.0  140.0 20.0 2 

!Angle de Torsion glycosidique
!Les distances H1'-H6/H8 indiquent des conformations en anti

assign (resid 1 and name o4') (resid 1 and name c1')
       (resid 1 and name N1) (resid 1 and name c2)      1.0  -100.0 55.0 2

assign (resid 2 and name o4') (resid 2 and name c1')
       (resid 2 and name N9) (resid 2 and name c4)      1.0  -100.0 55.0 2

assign (resid 3 and name o4') (resid 3 and name c1')
       (resid 3 and name N1) (resid 3 and name c2)      1.0  -100.0 55.0 2

assign (resid 4 and name o4') (resid 4 and name c1')
       (resid 4 and name N1) (resid 4 and name c2)      1.0  -100.0 55.0 2
assign (resid 5 and name o4') (resid 5 and name c1')
       (resid 5 and name N9) (resid 5 and name c4)      1.0  -100.0 55.0 2


assign (resid 8 and name o4') (resid 8 and name c1')
       (resid 8 and name N9) (resid 8 and name c4)      1.0  -100.0 55.0 2

assign (resid 9 and name o4') (resid 9 and name c1')
       (resid 9 and name N9) (resid 9 and name c4)      1.0  -100.0 55.0 2

assign (resid 10 and name o4') (resid 10 and name c1')
       (resid 10 and name N1) (resid 10 and name c2)    1.0  -100.0 55.0 2

assign (resid 11 and name o4') (resid 11 and name c1')
       (resid 11 and name N9) (resid 11 and name c4)    1.0  -100.0 55.0 2

!constraints on gamma: 60 +/-30; gamma en g+


!Contraintes sur la conformation des sucres
!Donnees issues des J1'2'-J1'2''
!et des distances H2''-H4'; H1'-H4'
!T5, G12, P=120-162
!T14, A15, A13, A6, T7; P=144-162
!T10 72-100
!C11, C8 P=110-144
!A9; P=162-200

!end
!set message=on echo=on end

#INTERRESIDUE PROTONS DISTANCES
!interstrand NOEs


!h1'(i)-H8/H6(i+1) 18 distances
!strand 1


assign (resid 1 and name h1') (resid 2 and name h8) 2.9 1.1 1.1
assign (resid 2 and name h1') (resid 3 and name h6) 2.9 1.1 1.1
assign (resid 3 and name h1') (resid 4 and name h6) 3.4 1.6 1.6
assign (resid 4 and name h1') (resid 5 and name h8) 3.4 1.6 1.6
assign (resid 5 and name h1') (resid 6 and name h6) 3.4 1.6 1.6
assign (resid 6 and name h1') (resid 7 and name h6) 5.0 0.1 5.0
assign (resid 7 and name h1') (resid 8 and name h8) 3.4 1.6 1.6
assign (resid 8 and name h1') (resid 9 and name h8) 2.9 1.1 1.1
assign (resid 9 and name h1') (resid 10 and name h6) 2.9 1.1 1.1
assign (resid 10 and name h1') (resid 11 and name h8) 2.9 1.1 1.1

assign (resid 1 and name h2') (resid 2 and name h8) 3.4 1.6 1.6
assign (resid 2 and name h2') (resid 3 and name h6) 2.9 1.1 1.1
assign (resid 3 and name h2') (resid 4 and name h6) 2.9 1.1 1.1
assign (resid 4 and name h2') (resid 5 and name h8) 3.4 1.6 1.6
assign (resid 6 and name h2') (resid 7 and name h6) 5.0 0.1 5.0
assign (resid 7 and name h2') (resid 8 and name h8) 3.4 1.6 2.6
assign (resid 9 and name h2') (resid 10 and name h6) 2.9 1.1 1.1
assign (resid 10 and name h2') (resid 11 and name h8) 3.4 1.6 1.6

assign (resid 1 and name h2'') (resid 2 and name h8) 2.4 0.6 0.6
assign (resid 2 and name h2'') (resid 3 and name h6) 2.4 0.6 0.6
assign (resid 4 and name h2'') (resid 5 and name h8) 2.9 1.1 1.1
assign (resid 6 and name h2'') (resid 7 and name h6) 5.0 0.1 5.0
assign (resid 7 and name h2'') (resid 8 and name h8) 3.4 1.6 2.6
assign (resid 10 and name h2'') (resid 11 and name h8) 2.9 1.1 1.1

assign (resid 1 and name h3') (resid 2 and name h8) 3.4 1.6 1.6
assign (resid 2 and name h3') (resid 3 and name h6) 3.4 1.6 1.6
assign (resid 3 and name h3') (resid 4 and name h6) 3.4 1.6 2.6
assign (resid 5 and name h3') (resid 6 and name h6) 3.4 1.6 1.6
assign (resid 7 and name h3') (resid 8 and name h8) 3.4 1.6 2.6
assign (resid 8 and name h3') (resid 9 and name h8) 3.4 1.6 1.6
assign (resid 9 and name h3') (resid 10 and name h6) 3.4 1.6 1.6
assign (resid 10 and name h3') (resid 11 and name h8) 3.4 1.6 2.1

assign (resid 1 and name h6) (resid 2 and name h8) 3.4 1.6 2.6
assign (resid 2 and name h8) (resid 3 and name h6) 3.4 1.6 2.6
assign (resid 3 and name h6) (resid 4 and name h6) 3.4 1.6 2.6
assign (resid 4 and name h6) (resid 5 and name h8) 3.4 1.6 2.6
assign (resid 5 and name h8) (resid 6 and name h6) 3.4 1.6 2.6
assign (resid 7 and name h6) (resid 8 and name h8) 3.4 1.6 2.6
assign (resid 8 and name h8) (resid 9 and name h8) 3.4 1.6 2.6
assign (resid 9 and name h8) (resid 10 and name h6) 3.4 1.6 2.6
assign (resid 10 and name h6) (resid 11 and name h8) 3.4 1.6 2.6


assign (resid 9 and name h2) (resid 10 and name h1') 3.4 1.6 1.6
assign (resid 5 and name h2) (resid 7 and name h5) 2.9 1.1 1.1
assign (resid 6 and name h7#) (resid 5 and name h2) 3.4 1.6 2.6
assign (resid 6 and name h7#) (resid 5 and name h8) 3.4 1.6 1.6 
assign (resid 3 and name h7#) (resid 2 and name h8) 2.9 1.1 1.1
assign (resid 10 and name h7#) (resid 9 and name h8) 2.9 1.1 1.1
assign (resid 5 and name h2) (resid 6 and name h2') 3.4 1.6 2.6
assign (resid 5 and name h2) (resid 6 and name h2'') 3.4 1.6 3.6
assign (resid 2 and name h2) (resid 11 and name h2) 2.9 1.1 1.1

assign (resid 6 and name h4') (resid 7 and name h5) 2.9 1.1 1.1


!noes dans l'eau

assign (resid 1 and name h3) (resid 10 and name h3) 3.4 1.6 1.6
assign (resid 10 and name h3) (resid 3 and name h3) 3.4 1.6 1.6
assign (resid 3 and name h3) (resid 8 and name h1) 3.4 1.6 1.6
assign (resid 1 and name h3) (resid 11 and name h2) 2.4 0.6 0.6
assign (resid 10 and name h3) (resid 2 and name h2) 2.4 0.6 0.6
assign (resid 1 and name h3) (resid 2 and name h2) 3.4 1.6 1.6
assign (resid 10 and name h3) (resid 11 and name h2) 3.4 1.6 1.6
assign (resid 3 and name h3) (resid 9 and name h2) 2.4 0.6 0.6
assign (resid 3 and name h3) (resid 2 and name h2) 3.4 1.6 1.6
assign (resid 10 and name h3) (resid 9 and name h2) 3.4 1.6 1.6
assign (resid 3 and name h3) (resid 4 and name h42) 3.4 1.6 1.6
assign (resid 8 and name h1) (resid 4 and name h42) 2.4 0.6 0.6
assign (resid 8 and name h1) (resid 4 and name h41) 2.9 1.1 1.1
assign (resid 8 and name h1) (resid 9 and name h2) 3.4 1.6 1.6
assign (resid 9 and name h2) (resid 3 and name h1') 3.4 2.6 2.6
assign (resid 9 and name h2) (resid 9 and name h1') 3.4 2.6 2.6

!noes concernant les CH3


!noes sucres-sucres


! noes terminaux

assign (resid 6 and name h7#) (resid 5 and name h3') 3.4 1.6 1.6
assign (resid 6 and name h7#) (resid 5 and name h1') 3.4 1.6 1.6
assign (resid 5 and name h2) (resid 7 and name h2') 5.0 0.1 8.0
assign (resid 5 and name h2) (resid 7 and name h2'') 5.0 0.1 8.0 
assign (resid 5 and name h2) (resid 4 and name h42) 3.4 1.6 2.6
assign (resid 5 and name h2'') (resid 6 and name h3') 5.0 0.1 8.0
assign (resid 5 and name h1') (resid 6 and name h3') 4.0 0.1 8.0
assign (resid 7 and name h5) (resid 5 and name h1') 3.4 1.6 1.6
assign (resid 7 and name h5) (resid 5 and name h2') 5.0 0.1 8.0
assign (resid 7 and name h5) (resid 5 and name h2'') 5.0 0.1 8.0


assign (resid 4 and name h5) (resid 3 and name h2') 3.4 1.6 1.6
assign (resid 7 and name h5) (resid 6 and name h2') 3.4 1.6 2.6
assign (resid 7 and name h5) (resid 6 and name h2'') 3.4 1.6 2.6
assign (resid 3 and name h7#) (resid 2 and name h3') 2.9 1.1 1.1
assign (resid 3 and name h7#) (resid 4 and name h5) 2.9 1.1 1.1
assign (resid 3 and name h7#) (resid 3 and name h1') 3.4 1.6 2.6
assign (resid 3 and name h7#) (resid 2 and name h1') 3.4 1.6 1.6
assign (resid 10 and name h7#) (resid 9 and name h3') 2.9 1.1 1.1
assign (resid 10 and name h7#) (resid 10 and name h1') 3.4 1.6 2.6
assign (resid 10 and name h7#) (resid 9 and name h1') 3.4 1.6 1.6
assign (resid 7 and name h5) (resid 5 and name h4') 3.4 1.6 1.6

assign (resid 7 and name h5) (resid 6 and name h1') 5.0 0.1 9.0
assign (resid 7 and name h6) (resid 6 and name h5') 5.0 0.1 9.0
assign (resid 7 and name h6) (resid 6 and name h5'') 5.0 0.1 9.0
assign (resid 5 and name h2) (resid 6 and name h3') 5.5 0.1 7.0
assign (resid 7 and name h6) (resid 6 and name h4') 3.4 1.6 1.6
assign (resid 5 and name h2) (resid 7 and name h6) 3.4 1.6 2.6

assign (resid 5 and name h1') (resid 6 and name h2') 3.4 1.6 2.6
assign (resid 5 and name h1') (resid 6 and name h3') 3.4 1.6 2.6
assign (resid 5 and name h2'') (resid 6 and name h2') 5.0 0.1 8.0
assign (resid 5 and name h2'') (resid 6 and name h5'') 3.4 1.6 1.6

set echo=on end
set message=on end

#INTRARESIDUES PROTONS DISTANCES

!intrastrand NOEs
!for distances calculated using H5-H6 as reference
!errors: -0.3/+0.4 for r > 3 A
!errors: -0.2/+0.3 for r < 3 A
!for distances calculated using H2'-H2" as reference
!errors: -0.3/+0.4 for r > 2.5 A
!errors: -0.2/+0.3 for r < 2.5 A


!H1'-H2'/H2'' 18 distances

assign (resid 1 and name h1') (resid 1 and name h2') 2.9 1.1 1.1
assign (resid 2 and name h1') (resid 2 and name h2') 2.9 1.1 1.1
assign (resid 3 and name h1') (resid 3 and name h2') 2.9 1.1 1.1
assign (resid 4 and name h1') (resid 4 and name h2') 2.9 1.1 1.1
assign (resid 6 and name h1') (resid 6 and name h2') 2.9 1.1 1.1
assign (resid 7 and name h1') (resid 7 and name h2') 2.9 1.1 1.1
assign (resid 8 and name h1') (resid 8 and name h2') 2.9 1.1 1.1
assign (resid 9 and name h1') (resid 9 and name h2') 2.9 1.1 1.1
assign (resid 10 and name h1') (resid 10 and name h2') 2.9 1.1 1.1
assign (resid 11 and name h1') (resid 11 and name h2') 2.9 1.1 1.1


assign (resid 1 and name h1') (resid 1 and name h2'') 2.4 0.6 0.6
assign (resid 2 and name h1') (resid 2 and name h2'') 2.4 0.6 0.6
assign (resid 3 and name h1') (resid 3 and name h2'') 2.4 0.6 0.6
assign (resid 4 and name h1') (resid 4 and name h2'') 2.4 0.6 0.6
assign (resid 6 and name h1') (resid 6 and name h2'') 2.4 0.6 0.6
assign (resid 7 and name h1') (resid 7 and name h2'') 2.4 0.6 0.6
assign (resid 8 and name h1') (resid 8 and name h2'') 2.4 0.6 0.6
assign (resid 9 and name h1') (resid 9 and name h2'') 2.4 0.6 0.6
assign (resid 10 and name h1') (resid 10 and name h2'') 2.4 0.6 0.6
assign (resid 11 and name h1') (resid 11 and name h2'') 2.4 0.6 0.6


assign (resid 1 and name h1') (resid 1 and name h6) 2.9 1.1 1.1
assign (resid 2 and name h1') (resid 2 and name h8) 2.9 1.1 1.1
assign (resid 3 and name h1') (resid 3 and name h6) 2.8 1.1 1.1
assign (resid 4 and name h1') (resid 4 and name h6) 2.9 1.1 1.1
assign (resid 5 and name h1') (resid 5 and name h8) 2.9 1.1 1.1
assign (resid 6 and name h1') (resid 6 and name h6) 2.9 1.1 1.1
assign (resid 8 and name h1') (resid 8 and name h8) 2.9 1.1 1.1
assign (resid 9 and name h1') (resid 9 and name h8) 2.9 1.1 1.1
assign (resid 10 and name h1') (resid 10 and name h6) 2.9 1.1 1.1
assign (resid 11 and name h1') (resid 11 and name h8) 2.9 1.1 1.1

assign (resid 1 and name h2') (resid 1 and name h6) 2.4 0.6 0.6
assign (resid 2 and name h2') (resid 2 and name h8) 2.4 0.6 0.6
assign (resid 3 and name h2') (resid 3 and name h6) 2.4 0.6 0.6
assign (resid 4 and name h2') (resid 4 and name h6) 2.4 0.6 0.6
assign (resid 5 and name h2') (resid 5 and name h8) 2.4 0.6 0.6
assign (resid 6 and name h2') (resid 6 and name h6) 2.4 0.6 0.6
assign (resid 7 and name h2') (resid 7 and name h6) 2.4 0.6 0.6
assign (resid 8 and name h2') (resid 8 and name h8) 2.4 0.6 0.6
assign (resid 9 and name h2') (resid 9 and name h8) 2.4 0.6 0.6
assign (resid 10 and name h2') (resid 10 and name h6) 2.4 0.6 0.6
assign (resid 11 and name h2') (resid 11 and name h8) 2.4 0.6 0.6

assign (resid 1 and name h2'') (resid 1 and name h6) 2.9 1.1 1.1
assign (resid 2 and name h2'') (resid 2 and name h8) 2.9 1.1 1.1
assign (resid 3 and name h2'') (resid 3 and name h6) 2.9 1.1 1.1
assign (resid 6 and name h2'') (resid 6 and name h6) 2.9 1.1 1.1
assign (resid 8 and name h2'') (resid 8 and name h8) 2.9 1.1 1.1
assign (resid 11 and name h2'') (resid 11 and name h8) 2.9 1.1 1.1

assign (resid 1 and name h3') (resid 1 and name h6) 3.4 1.6 1.6
assign (resid 2 and name h3') (resid 2 and name h8) 3.4 1.6 1.6
assign (resid 3 and name h3') (resid 3 and name h6) 3.4 1.6 1.6
assign (resid 4 and name h3') (resid 4 and name h6) 3.4 1.6 1.6
assign (resid 6 and name h3') (resid 6 and name h6) 3.4 1.6 1.6
assign (resid 7 and name h3') (resid 7 and name h6) 3.4 1.6 1.6
assign (resid 8 and name h3') (resid 8 and name h8) 3.4 1.6 1.6
assign (resid 9 and name h3') (resid 9 and name h8) 3.4 1.6 1.6
assign (resid 10 and name h3') (resid 10 and name h6) 3.4 1.6 1.6
assign (resid 11 and name h3') (resid 11 and name h8) 3.4 1.6 1.6


assign (resid 1 and name h4') (resid 1 and name h6) 3.4 1.6 2.6
assign (resid 2 and name h4') (resid 2 and name h8) 3.4 1.6 2.6
assign (resid 3 and name h4') (resid 3 and name h6) 3.4 1.6 2.6
assign (resid 4 and name h4') (resid 4 and name h6) 3.4 1.6 2.6
assign (resid 5 and name h4') (resid 5 and name h6) 3.4 1.6 2.6
assign (resid 6 and name h4') (resid 6 and name h6) 3.4 1.6 2.6
assign (resid 7 and name h4') (resid 7 and name h6) 3.4 1.6 2.6
assign (resid 8 and name h4') (resid 8 and name h8) 3.4 1.6 2.6
assign (resid 9 and name h4') (resid 9 and name h8) 3.4 1.6 2.6
assign (resid 10 and name h4') (resid 10 and name h6) 3.4 1.6 2.6
assign (resid 11 and name h4') (resid 11 and name h8) 3.4 1.6 2.6

assign (resid 1 and name h4') (resid 1 and name h1') 2.4 0.6 0.6
assign (resid 2 and name h4') (resid 2 and name h1') 2.9 1.1 1.1
assign (resid 3 and name h4') (resid 3 and name h1') 2.4 0.6 0.6
assign (resid 4 and name h4') (resid 4 and name h1') 2.9 1.1 1.1
assign (resid 5 and name h4') (resid 5 and name h1') 2.9 1.1 1.1
assign (resid 6 and name h4') (resid 6 and name h1') 2.9 1.1 1.1
assign (resid 7 and name h4') (resid 7 and name h1') 2.9 1.1 1.1
assign (resid 8 and name h4') (resid 8 and name h1') 2.9 1.1 1.1
assign (resid 9 and name h4') (resid 9 and name h1') 2.9 1.1 1.1
assign (resid 10 and name h4') (resid 10 and name h1') 2.9 1.1 1.1
assign (resid 11 and name h4') (resid 11 and name h1') 2.9 1.1 1.1

set echo=true end
set wrnlev=5 end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    T   1          1H5*        T   1  -6.068  12.381  -2.456
    2   2H5*    T   1          2H5*        T   1  -5.069  13.465  -3.443
    3    H4*    T   1           H4*        T   1  -5.264  11.809  -5.302
    4    H3*    T   1           H3*        T   1  -7.164  10.482  -3.713
    5   1H2*    T   1          1H2*        T   1  -5.661   9.242  -2.375
    6   2H2*    T   1          2H2*        T   1  -5.552   8.237  -3.814
    7    H1*    T   1           H1*        T   1  -3.600   9.364  -4.630
    8    H3     T   1           H3         T   1  -0.161   7.886  -2.214
    9   1H5M    T   1          1H5M        T   1  -2.773  10.727   1.253
   10   2H5M    T   1          2H5M        T   1  -3.665   9.198   1.438
   11   3H5M    T   1          3H5M        T   1  -1.917   9.255   1.771
   12    H6     T   1           H6         T   1  -4.197  10.144  -1.045
   13    H5T    T   1           H5T        T   1  -7.215  12.702  -4.856
   14   1H5*    A   2          1H5*        A   2  -5.102   8.626  -7.182
   15   2H5*    A   2          2H5*        A   2  -6.042   7.610  -8.295
   16    H4*    A   2           H4*        A   2  -3.814   6.771  -8.161
   17    H3*    A   2           H3*        A   2  -5.978   5.099  -7.712
   18    H1*    A   2           H1*        A   2  -2.627   5.003  -5.873
   19    H8     A   2           H8         A   2  -5.442   6.226  -3.471
   20   1H6     A   2          1H6         A   2  -2.875   5.858   0.644
   21   2H6     A   2          2H6         A   2  -1.231   5.371   0.992
   22    H2     A   2           H2         A   2   0.660   4.311  -2.932
   23   1H2*    A   2          1H2*        A   2  -5.638   4.750  -5.381
   24   2H2*    A   2          2H2*        A   2  -4.534   3.530  -6.004
   25   1H5*    T   3          1H5*        T   3  -1.646   3.190  -8.719
   26   2H5*    T   3          2H5*        T   3  -1.959   1.694  -9.624
   27    H4*    T   3           H4*        T   3   0.036   1.563  -8.201
   28    H3*    T   3           H3*        T   3  -1.913  -0.437  -8.385
   29   1H2*    T   3          1H2*        T   3  -2.698  -0.337  -6.155
   30   2H2*    T   3          2H2*        T   3  -1.244  -1.273  -5.844
   31    H1*    T   3           H1*        T   3   0.053   0.664  -5.272
   32    H3     T   3           H3         T   3  -1.238   1.604  -1.112
   33   1H5M    T   3          1H5M        T   3  -5.783   1.574  -2.946
   34   2H5M    T   3          2H5M        T   3  -5.437   2.637  -4.331
   35   3H5M    T   3          3H5M        T   3  -5.331   3.273  -2.672
   36    H6     T   3           H6         T   3  -3.527   1.641  -5.294
   37   1H5*    C   4          1H5*        C   4   1.750  -0.927  -5.433
   38   2H5*    C   4          2H5*        C   4   2.606  -2.060  -6.500
   39    H4*    C   4           H4*        C   4   3.429  -2.700  -4.485
   40    H3*    C   4           H3*        C   4   1.759  -4.587  -5.512
   41    H1*    C   4           H1*        C   4   1.615  -3.534  -1.790
   42   1H4     C   4          1H4         C   4  -4.240  -0.512  -1.004
   43   2H4     C   4          2H4         C   4  -3.541  -0.775   0.577
   44    H5     C   4           H5         C   4  -3.117  -1.194  -3.054
   45    H6     C   4           H6         C   4  -1.107  -2.226  -3.974
   46   1H2*    C   4          1H2*        C   4  -0.173  -4.136  -4.188
   47   2H2*    C   4          2H2*        C   4   0.654  -5.263  -3.121
   48   1H5*    A   5          1H5*        A   5   4.078  -5.843  -2.085
   49   2H5*    A   5          2H5*        A   5   4.880  -7.397  -1.769
   50    H4*    A   5           H4*        A   5   3.342  -6.868   0.006
   51    H3*    A   5           H3*        A   5   3.289  -9.333  -1.309
   52    H1*    A   5           H1*        A   5   0.258  -7.321  -0.020
   53    H8     A   5           H8         A   5   0.201  -7.858  -3.869
   54   1H6     A   5          1H6         A   5  -4.130  -5.778  -4.680
   55   2H6     A   5          2H6         A   5  -5.275  -4.972  -3.629
   56    H2     A   5           H2         A   5  -3.554  -5.033   0.501
   57   1H2*    A   5          1H2*        A   5   1.149  -9.162  -2.287
   58   2H2*    A   5          2H2*        A   5   0.622  -9.593  -0.667
   59   1H5*  DRT   6          1H5*      DRT   6   0.866  -8.465   2.384
   60   2H5*  DRT   6          2H5*      DRT   6  -0.804  -8.878   1.939
   61    H4*  DRT   6           H4*      DRT   6   0.742  -9.563   4.304
   62    H3*  DRT   6           H3*      DRT   6  -1.685  -8.557   4.133
   63   1H2*  DRT   6          1H2*      DRT   6  -2.754 -10.243   2.808
   64   2H2*  DRT   6          2H2*      DRT   6  -3.144 -10.826   4.419
   65    H1*  DRT   6           H1*      DRT   6  -1.514 -12.520   4.363
   66    H3   DRT   6           H3       DRT   6  -2.878 -15.330   1.174
   67   1H5M  DRT   6          1H5M      DRT   6  -1.779 -12.481  -2.234
   68   2H5M  DRT   6          2H5M      DRT   6  -1.615 -10.905  -1.424
   69   3H5M  DRT   6          3H5M      DRT   6  -0.199 -11.968  -1.596
   70    H6   DRT   6           H6       DRT   6  -0.909 -10.990   1.051
   71   1H5*    C   7          1H5*        C   7  -0.188  -8.482   8.844
   72   2H5*    C   7          2H5*        C   7  -1.876  -8.302   9.368
   73    H4*    C   7           H4*        C   7  -0.585  -6.512  10.283
   74    H3*    C   7           H3*        C   7  -2.905  -5.973   9.116
   75    H1*    C   7           H1*        C   7   0.233  -3.991   7.822
   76   1H4     C   7          1H4         C   7   1.460  -6.430   1.823
   77   2H4     C   7          2H4         C   7   3.037  -6.402   2.577
   78    H5     C   7           H5         C   7  -0.580  -5.954   3.039
   79    H6     C   7           H6         C   7  -1.512  -5.312   5.205
   80   1H2*    C   7          1H2*        C   7  -2.156  -5.613   6.875
   81   2H2*    C   7          2H2*        C   7  -2.115  -3.965   7.484
   82   1H5*    G   8          1H5*        G   8  -1.772  -1.653  11.637
   83   2H5*    G   8          2H5*        G   8  -2.272  -0.330  10.565
   84    H4*    G   8           H4*        G   8  -0.062  -2.241  10.341
   85    H3*    G   8           H3*        G   8  -0.124   0.464  10.324
   86    H1*    G   8           H1*        G   8   0.345  -1.543   7.077
   87    H8     G   8           H8         G   8  -3.390  -0.573   7.463
   88    H1     G   8           H1         G   8  -1.398  -1.841   1.501
   89   1H2     G   8          1H2         G   8   1.707  -2.281   2.974
   90   2H2     G   8          2H2         G   8   0.763  -2.298   1.499
   91   1H2*    G   8          1H2*        G   8  -1.282   0.765   8.247
   92   2H2*    G   8          2H2*        G   8   0.385   0.784   7.691
   93   1H5*    A   9          1H5*        A   9   3.052  -1.303   7.005
   94   2H5*    A   9          2H5*        A   9   4.479  -0.623   7.813
   95    H4*    A   9           H4*        A   9   5.059  -0.510   5.598
   96    H3*    A   9           H3*        A   9   4.701   1.958   6.778
   97    H1*    A   9           H1*        A   9   3.594   1.047   3.198
   98    H8     A   9           H8         A   9   0.540   1.387   5.589
   99   1H6     A   9          1H6         A   9  -2.866   1.683   2.140
  100   2H6     A   9          2H6         A   9  -2.814   1.658   0.392
  101    H2     A   9           H2         A   9   1.497   1.158  -0.754
  102   1H2*    A   9          1H2*        A   9   2.687   2.583   5.678
  103   2H2*    A   9          2H2*        A   9   3.828   3.078   4.435
  104   1H5*    T  10          1H5*        T  10   6.241   1.239   2.642
  105   2H5*    T  10          2H5*        T  10   7.885   1.905   2.552
  106    H4*    T  10           H4*        T  10   7.110   1.637   0.338
  107    H3*    T  10           H3*        T  10   8.057   4.055   1.084
  108   1H2*    T  10          1H2*        T  10   5.951   5.121   1.521
  109   2H2*    T  10          2H2*        T  10   6.193   5.550  -0.166
  110    H1*    T  10           H1*        T  10   4.820   3.730  -0.957
  111    H3     T  10           H3         T  10   0.584   4.878  -0.271
  112   1H5M    T  10          1H5M        T  10   1.561   4.243   4.488
  113   2H5M    T  10          2H5M        T  10   1.526   5.995   4.182
  114   3H5M    T  10          3H5M        T  10   3.075   5.178   4.499
  115    H6     T  10           H6         T  10   4.288   4.317   2.677
  116   1H5*    A  11          1H5*        A  11   7.765   3.114  -3.655
  117   2H5*    A  11          2H5*        A  11   9.264   3.846  -4.264
  118    H4*    A  11           H4*        A  11   7.607   3.796  -6.002
  119    H3*    A  11           H3*        A  11   9.053   6.001  -5.575
  120    H1*    A  11           H1*        A  11   5.124   6.371  -5.683
  121    H8     A  11           H8         A  11   6.773   6.412  -2.178
  122   1H6     A  11          1H6         A  11   2.788   7.534   0.358
  123   2H6     A  11          2H6         A  11   1.112   7.785  -0.086
  124    H2     A  11           H2         A  11   0.841   7.151  -4.515
  125    H3T    A  11           H3T        A  11   6.936   5.504  -7.376
  126   1H2*    A  11          1H2*        A  11   7.591   7.205  -4.131
  127   2H2*    A  11          2H2*        A  11   7.005   7.790  -5.682
  Start of MODEL    2
    1   1H5*    T   1          1H5*        T   1  -7.695  11.598  -2.644
    2   2H5*    T   1          2H5*        T   1  -7.365  12.943  -3.751
    3    H4*    T   1           H4*        T   1  -6.490  11.502  -5.400
    4    H3*    T   1           H3*        T   1  -8.142   9.463  -4.455
    5   1H2*    T   1          1H2*        T   1  -6.679   8.621  -2.784
    6   2H2*    T   1          2H2*        T   1  -5.971   7.810  -4.172
    7    H1*    T   1           H1*        T   1  -4.319   9.540  -4.504
    8    H3     T   1           H3         T   1  -1.231   8.551  -1.437
    9   1H5M    T   1          1H5M        T   1  -3.958  10.288   1.948
   10   2H5M    T   1          2H5M        T   1  -5.576  10.325   1.208
   11   3H5M    T   1          3H5M        T   1  -4.903   8.788   1.802
   12    H6     T   1           H6         T   1  -5.764   9.993  -1.113
   13    H5T    T   1           H5T        T   1  -9.462  12.553  -4.078
   14   1H5*    A   2          1H5*        A   2  -4.563   8.542  -7.296
   15   2H5*    A   2          2H5*        A   2  -5.165   7.492  -8.596
   16    H4*    A   2           H4*        A   2  -2.892   6.962  -8.243
   17    H3*    A   2           H3*        A   2  -4.776   4.950  -8.055
   18    H1*    A   2           H1*        A   2  -1.676   5.320  -5.836
   19    H8     A   2           H8         A   2  -4.860   6.256  -3.800
   20   1H6     A   2          1H6         A   2  -2.825   5.956   0.614
   21   2H6     A   2          2H6         A   2  -1.215   5.538   1.156
   22    H2     A   2           H2         A   2   1.212   4.640  -2.499
   23   1H2*    A   2          1H2*        A   2  -4.648   4.598  -5.704
   24   2H2*    A   2          2H2*        A   2  -3.308   3.580  -6.212
   25   1H5*    T   3          1H5*        T   3  -0.096   3.273  -8.282
   26   2H5*    T   3          2H5*        T   3  -0.337   1.955  -9.447
   27    H4*    T   3           H4*        T   3   1.274   1.262  -7.836
   28    H3*    T   3           H3*        T   3  -1.055  -0.252  -8.257
   29   1H2*    T   3          1H2*        T   3  -1.954  -0.105  -6.082
   30   2H2*    T   3          2H2*        T   3  -0.720  -1.304  -5.721
   31    H1*    T   3           H1*        T   3   0.855   0.329  -4.962
   32    H3     T   3           H3         T   3  -0.463   1.664  -0.922
   33   1H5M    T   3          1H5M        T   3  -4.373   3.529  -2.618
   34   2H5M    T   3          2H5M        T   3  -4.918   1.893  -3.055
   35   3H5M    T   3          3H5M        T   3  -4.393   3.024  -4.324
   36    H6     T   3           H6         T   3  -2.577   1.726  -5.193
   37   1H5*    C   4          1H5*        C   4   0.411  -5.120  -7.534
   38   2H5*    C   4          2H5*        C   4  -0.803  -4.905  -6.257
   39    H4*    C   4           H4*        C   4   2.023  -3.890  -6.376
   40    H3*    C   4           H3*        C   4   1.168  -6.178  -5.223
   41    H1*    C   4           H1*        C   4   1.575  -2.957  -3.158
   42   1H4     C   4          1H4         C   4  -4.477  -0.759  -1.620
   43   2H4     C   4          2H4         C   4  -3.488  -0.548  -0.196
   44    H5     C   4           H5         C   4  -3.672  -1.823  -3.639
   45    H6     C   4           H6         C   4  -1.757  -2.904  -4.695
   46   1H2*    C   4          1H2*        C   4  -0.404  -5.218  -3.695
   47   2H2*    C   4          2H2*        C   4   1.036  -5.262  -2.692
   48   1H5*    A   5          1H5*        A   5   2.976  -5.299  -1.577
   49   2H5*    A   5          2H5*        A   5   4.154  -6.578  -1.214
   50    H4*    A   5           H4*        A   5   2.666  -6.662   0.557
   51    H3*    A   5           H3*        A   5   2.778  -8.927  -0.982
   52    H1*    A   5           H1*        A   5  -0.428  -7.478   0.470
   53    H8     A   5           H8         A   5  -0.628  -7.482  -3.385
   54   1H6     A   5          1H6         A   5  -5.033  -5.436  -3.757
   55   2H6     A   5          2H6         A   5  -6.125  -4.734  -2.585
   56    H2     A   5           H2         A   5  -4.139  -5.072   1.415
   57   1H2*    A   5          1H2*        A   5   0.704  -8.617  -2.140
   58   2H2*    A   5          2H2*        A   5   0.151  -9.510  -0.731
   59   1H5*  DRT   6          1H5*      DRT   6   1.125  -9.033   3.241
   60   2H5*  DRT   6          2H5*      DRT   6  -0.414  -9.358   2.417
   61    H4*  DRT   6           H4*      DRT   6   0.544 -10.165   5.076
   62    H3*  DRT   6           H3*      DRT   6  -1.594  -8.738   4.443
   63   1H2*  DRT   6          1H2*      DRT   6  -2.816 -10.233   3.062
   64   2H2*  DRT   6          2H2*      DRT   6  -3.430 -10.780   4.616
   65    H1*  DRT   6           H1*      DRT   6  -2.167 -12.717   4.608
   66    H3   DRT   6           H3       DRT   6  -2.942 -15.330   1.104
   67   1H5M  DRT   6          1H5M      DRT   6  -0.336 -11.646  -1.251
   68   2H5M  DRT   6          2H5M      DRT   6  -1.920 -12.070  -1.943
   69   3H5M  DRT   6          3H5M      DRT   6  -1.747 -10.597  -0.960
   70    H6   DRT   6           H6       DRT   6  -1.195 -10.910   1.496
   71   1H5*    C   7          1H5*        C   7  -0.891  -8.685   9.134
   72   2H5*    C   7          2H5*        C   7  -2.510  -8.111   9.587
   73    H4*    C   7           H4*        C   7  -0.680  -6.697  10.435
   74    H3*    C   7           H3*        C   7  -3.038  -5.739   9.597
   75    H1*    C   7           H1*        C   7   0.249  -4.205   8.098
   76   1H4     C   7          1H4         C   7   0.326  -6.522   1.882
   77   2H4     C   7          2H4         C   7   1.803  -5.621   2.125
   78    H5     C   7           H5         C   7  -1.308  -6.855   3.643
   79    H6     C   7           H6         C   7  -1.868  -6.355   5.967
   80   1H2*    C   7          1H2*        C   7  -2.499  -5.244   7.326
   81   2H2*    C   7          2H2*        C   7  -2.060  -3.712   8.070
   82   1H5*    G   8          1H5*        G   8  -1.788  -0.702  10.355
   83   2H5*    G   8          2H5*        G   8  -2.338  -0.506   8.680
   84    H4*    G   8           H4*        G   8  -0.027  -2.208   9.618
   85    H3*    G   8           H3*        G   8   0.194   0.452   9.450
   86    H1*    G   8           H1*        G   8   0.814  -1.646   6.137
   87    H8     G   8           H8         G   8  -2.807  -0.460   6.727
   88    H1     G   8           H1         G   8  -1.223  -1.550   0.611
   89   1H2     G   8          1H2         G   8   1.919  -2.282   1.884
   90   2H2     G   8          2H2         G   8   0.898  -2.154   0.467
   91   1H2*    G   8          1H2*        G   8  -0.549   0.827   7.223
   92   2H2*    G   8          2H2*        G   8   1.153   0.542   6.896
   93   1H5*    A   9          1H5*        A   9   3.769  -1.560   7.160
   94   2H5*    A   9          2H5*        A   9   5.255  -0.836   7.809
   95    H4*    A   9           H4*        A   9   5.559  -1.179   5.486
   96    H3*    A   9           H3*        A   9   5.965   1.327   6.542
   97    H1*    A   9           H1*        A   9   4.312   0.626   3.171
   98    H8     A   9           H8         A   9   1.688   2.031   5.683
   99   1H6     A   9          1H6         A   9  -1.906   2.633   2.463
  100   2H6     A   9          2H6         A   9  -2.050   2.299   0.750
  101    H2     A   9           H2         A   9   1.853   0.518  -0.551
  102   1H2*    A   9          1H2*        A   9   3.998   2.365   5.672
  103   2H2*    A   9          2H2*        A   9   5.089   2.614   4.317
  104   1H5*    T  10          1H5*        T  10   6.439   0.462   2.022
  105   2H5*    T  10          2H5*        T  10   8.150   0.822   1.710
  106    H4*    T  10           H4*        T  10   7.077   1.087  -0.341
  107    H3*    T  10           H3*        T  10   8.360   3.295   0.676
  108   1H2*    T  10          1H2*        T  10   6.436   4.560   1.291
  109   2H2*    T  10          2H2*        T  10   6.563   5.041  -0.395
  110    H1*    T  10           H1*        T  10   4.965   3.401  -1.127
  111    H3     T  10           H3         T  10   0.946   4.958  -0.009
  112   1H5M    T  10          1H5M        T  10   1.925   4.420   4.552
  113   2H5M    T  10          2H5M        T  10   2.926   5.877   4.352
  114   3H5M    T  10          3H5M        T  10   3.699   4.290   4.578
  115    H6     T  10           H6         T  10   4.820   3.883   2.554
  116   1H5*    A  11          1H5*        A  11   6.214   3.844  -3.466
  117   2H5*    A  11          2H5*        A  11   7.656   3.979  -4.493
  118    H4*    A  11           H4*        A  11   6.201   5.205  -5.718
  119    H3*    A  11           H3*        A  11   8.055   6.816  -4.590
  120    H1*    A  11           H1*        A  11   4.320   7.750  -4.534
  121    H8     A  11           H8         A  11   5.642   6.927  -0.996
  122   1H6     A  11          1H6         A  11   1.482   7.715   1.404
  123   2H6     A  11          2H6         A  11  -0.145   8.095   0.882
  124    H2     A  11           H2         A  11  -0.068   8.286  -3.593
  125    H3T    A  11           H3T        A  11   6.409   6.880  -6.633
  126   1H2*    A  11          1H2*        A  11   6.769   7.571  -2.715
  127   2H2*    A  11          2H2*        A  11   6.380   8.815  -3.894
  Start of MODEL    3
    1   1H5*    T   1          1H5*        T   1  -7.883  11.456  -2.151
    2   2H5*    T   1          2H5*        T   1  -9.172  10.358  -2.675
    3    H4*    T   1           H4*        T   1  -7.283  10.060  -4.092
    4    H3*    T   1           H3*        T   1  -8.410   7.881  -2.767
    5   1H2*    T   1          1H2*        T   1  -6.564   7.419  -1.337
    6   2H2*    T   1          2H2*        T   1  -6.013   6.570  -2.772
    7    H1*    T   1           H1*        T   1  -4.743   8.487  -3.560
    8    H3     T   1           H3         T   1  -0.971   8.184  -1.207
    9   1H5M    T   1          1H5M        T   1  -3.392   8.293   2.821
   10   2H5M    T   1          2H5M        T   1  -3.559  10.031   2.484
   11   3H5M    T   1          3H5M        T   1  -4.969   8.957   2.330
   12    H6     T   1           H6         T   1  -5.504   8.972   0.046
   13    H5T    T   1           H5T        T   1  -7.338   9.755  -0.597
   14   1H5*    A   2          1H5*        A   2  -5.168   7.504  -5.974
   15   2H5*    A   2          2H5*        A   2  -6.140   6.821  -7.293
   16    H4*    A   2           H4*        A   2  -4.022   6.292  -7.964
   17    H3*    A   2           H3*        A   2  -5.471   4.106  -7.392
   18    H1*    A   2           H1*        A   2  -1.873   4.443  -5.872
   19    H8     A   2           H8         A   2  -4.758   5.286  -3.415
   20   1H6     A   2          1H6         A   2  -2.064   5.457   0.633
   21   2H6     A   2          2H6         A   2  -0.356   5.252   0.941
   22    H2     A   2           H2         A   2   1.587   4.416  -3.012
   23   1H2*    A   2          1H2*        A   2  -4.734   3.700  -5.161
   24   2H2*    A   2          2H2*        A   2  -3.535   2.764  -6.041
   25   1H5*    T   3          1H5*        T   3  -1.047   3.014  -8.010
   26   2H5*    T   3          2H5*        T   3  -0.923   1.705  -9.205
   27    H4*    T   3           H4*        T   3   0.669   1.213  -7.570
   28    H3*    T   3           H3*        T   3  -1.426  -0.620  -7.902
   29   1H2*    T   3          1H2*        T   3  -2.374  -0.413  -5.742
   30   2H2*    T   3          2H2*        T   3  -1.041  -1.476  -5.315
   31    H1*    T   3           H1*        T   3   0.394   0.357  -4.681
   32    H3     T   3           H3         T   3  -0.849   1.954  -0.722
   33   1H5M    T   3          1H5M        T   3  -5.170   2.760  -3.350
   34   2H5M    T   3          2H5M        T   3  -5.302   1.945  -1.773
   35   3H5M    T   3          3H5M        T   3  -5.373   0.993  -3.274
   36    H6     T   3           H6         T   3  -3.251   1.073  -4.745
   37   1H5*    C   4          1H5*        C   4   2.943  -2.542  -5.965
   38   2H5*    C   4          2H5*        C   4   2.785  -4.029  -6.925
   39    H4*    C   4           H4*        C   4   3.857  -4.462  -4.794
   40    H3*    C   4           H3*        C   4   1.955  -6.089  -5.794
   41    H1*    C   4           H1*        C   4   1.799  -4.933  -2.116
   42   1H4     C   4          1H4         C   4  -3.368  -0.799  -1.625
   43   2H4     C   4          2H4         C   4  -2.637  -0.942  -0.045
   44    H5     C   4           H5         C   4  -2.480  -1.951  -3.579
   45    H6     C   4           H6         C   4  -0.703  -3.408  -4.396
   46   1H2*    C   4          1H2*        C   4   0.068  -5.195  -4.616
   47   2H2*    C   4          2H2*        C   4   0.575  -6.456  -3.503
   48   1H5*    A   5          1H5*        A   5   3.487  -6.983  -2.079
   49   2H5*    A   5          2H5*        A   5   4.472  -8.341  -1.497
   50    H4*    A   5           H4*        A   5   3.081  -7.850   0.289
   51    H3*    A   5           H3*        A   5   2.822 -10.346  -0.705
   52    H1*    A   5           H1*        A   5  -0.288  -8.230   0.119
   53    H8     A   5           H8         A   5  -0.336  -9.280  -3.499
   54   1H6     A   5          1H6         A   5  -3.794  -6.249  -5.107
   55   2H6     A   5          2H6         A   5  -4.593  -4.872  -4.384
   56    H2     A   5           H2         A   5  -2.888  -4.344  -0.286
   57   1H2*    A   5          1H2*        A   5   0.911  -9.968  -2.091
   58   2H2*    A   5          2H2*        A   5   0.139 -10.492  -0.605
   59   1H5*  DRT   6          1H5*      DRT   6   0.328  -9.277   2.936
   60   2H5*  DRT   6          2H5*      DRT   6  -1.048  -9.277   1.815
   61    H4*  DRT   6           H4*      DRT   6  -0.898  -9.984   4.646
   62    H3*  DRT   6           H3*      DRT   6  -2.485  -8.275   3.331
   63   1H2*  DRT   6          1H2*      DRT   6  -3.862  -9.657   2.022
   64   2H2*  DRT   6          2H2*      DRT   6  -4.726  -9.920   3.529
   65    H1*  DRT   6           H1*      DRT   6  -3.920 -12.042   3.797
   66    H3   DRT   6           H3       DRT   6  -4.619 -14.696   0.298
   67   1H5M  DRT   6          1H5M      DRT   6  -1.785 -10.593  -1.566
   68   2H5M  DRT   6          2H5M      DRT   6  -0.776 -12.059  -1.617
   69   3H5M  DRT   6          3H5M      DRT   6  -2.278 -11.979  -2.568
   70    H6   DRT   6           H6       DRT   6  -1.959 -10.787   0.893
   71   1H5*    C   7          1H5*        C   7  -3.320  -7.528   8.259
   72   2H5*    C   7          2H5*        C   7  -4.559  -6.309   7.892
   73    H4*    C   7           H4*        C   7  -2.668  -5.543   9.339
   74    H3*    C   7           H3*        C   7  -4.036  -4.025   7.575
   75    H1*    C   7           H1*        C   7  -0.083  -4.137   7.371
   76   1H4     C   7          1H4         C   7   0.892  -7.358   1.658
   77   2H4     C   7          2H4         C   7   2.425  -7.301   2.495
   78    H5     C   7           H5         C   7  -1.160  -6.499   2.644
   79    H6     C   7           H6         C   7  -2.133  -5.427   4.610
   80   1H2*    C   7          1H2*        C   7  -2.600  -4.089   5.695
   81   2H2*    C   7          2H2*        C   7  -1.802  -2.787   6.562
   82   1H5*    G   8          1H5*        G   8  -1.149  -2.187  10.284
   83   2H5*    G   8          2H5*        G   8  -0.811  -0.507  10.747
   84    H4*    G   8           H4*        G   8   1.037  -1.854   9.613
   85    H3*    G   8           H3*        G   8   0.658   0.856   9.654
   86    H1*    G   8           H1*        G   8   1.390  -1.114   6.366
   87    H8     G   8           H8         G   8  -2.225   0.243   6.680
   88    H1     G   8           H1         G   8  -0.655  -2.254   0.989
   89   1H2     G   8          1H2         G   8   2.380  -2.985   2.498
   90   2H2     G   8          2H2         G   8   1.394  -3.074   1.053
   91   1H2*    G   8          1H2*        G   8  -0.287   1.160   7.500
   92   2H2*    G   8          2H2*        G   8   1.408   1.160   7.039
   93   1H5*    A   9          1H5*        A   9   3.891  -0.361   6.969
   94   2H5*    A   9          2H5*        A   9   5.479   0.091   7.626
   95    H4*    A   9           H4*        A   9   5.884   0.264   5.399
   96    H3*    A   9           H3*        A   9   5.821   2.730   6.595
   97    H1*    A   9           H1*        A   9   4.270   1.976   3.162
   98    H8     A   9           H8         A   9   1.537   2.727   5.818
   99   1H6     A   9          1H6         A   9  -2.244   2.780   2.770
  100   2H6     A   9          2H6         A   9  -2.408   2.493   1.051
  101    H2     A   9           H2         A   9   1.698   1.539  -0.487
  102   1H2*    A   9          1H2*        A   9   3.696   3.452   5.777
  103   2H2*    A   9          2H2*        A   9   4.712   3.963   4.437
  104   1H5*    T  10          1H5*        T  10   7.705   2.004   2.519
  105   2H5*    T  10          2H5*        T  10   9.241   2.871   2.309
  106    H4*    T  10           H4*        T  10   8.309   2.463   0.162
  107    H3*    T  10           H3*        T  10   9.066   4.994   0.842
  108   1H2*    T  10          1H2*        T  10   6.880   5.875   1.290
  109   2H2*    T  10          2H2*        T  10   7.021   6.230  -0.427
  110    H1*    T  10           H1*        T  10   5.849   4.212  -1.067
  111    H3     T  10           H3         T  10   1.517   4.912  -0.397
  112   1H5M    T  10          1H5M        T  10   4.033   6.022   4.247
  113   2H5M    T  10          2H5M        T  10   2.548   5.047   4.362
  114   3H5M    T  10          3H5M        T  10   2.459   6.744   3.836
  115    H6     T  10           H6         T  10   5.298   5.125   2.500
  116   1H5*    A  11          1H5*        A  11   7.252   4.491  -3.624
  117   2H5*    A  11          2H5*        A  11   8.621   5.129  -4.557
  118    H4*    A  11           H4*        A  11   6.731   5.647  -5.814
  119    H3*    A  11           H3*        A  11   8.264   7.752  -5.006
  120    H1*    A  11           H1*        A  11   4.392   7.830  -4.850
  121    H8     A  11           H8         A  11   6.069   7.835  -1.363
  122   1H6     A  11          1H6         A  11   2.012   8.224   1.270
  123   2H6     A  11          2H6         A  11   0.307   8.240   0.869
  124    H2     A  11           H2         A  11   0.049   7.794  -3.594
  125    H3T    A  11           H3T        A  11   7.399   7.393  -7.087
  126   1H2*    A  11          1H2*        A  11   6.882   8.569  -3.247
  127   2H2*    A  11          2H2*        A  11   6.154   9.423  -4.601
  Start of MODEL    4
    1   1H5*    T   1          1H5*        T   1  -7.654  11.024  -2.677
    2   2H5*    T   1          2H5*        T   1  -6.992  12.266  -3.755
    3    H4*    T   1           H4*        T   1  -6.558  10.511  -5.439
    4    H3*    T   1           H3*        T   1  -8.095   8.791  -3.759
    5   1H2*    T   1          1H2*        T   1  -6.336   7.863  -2.523
    6   2H2*    T   1          2H2*        T   1  -5.865   7.092  -4.032
    7    H1*    T   1           H1*        T   1  -4.287   8.754  -4.592
    8    H3     T   1           H3         T   1  -0.784   8.383  -1.863
    9   1H5M    T   1          1H5M        T   1  -4.882   9.852   1.235
   10   2H5M    T   1          2H5M        T   1  -4.398   8.183   1.618
   11   3H5M    T   1          3H5M        T   1  -3.250   9.522   1.863
   12    H6     T   1           H6         T   1  -5.415   9.224  -1.084
   13    H5T    T   1           H5T        T   1  -8.803  10.682  -5.023
   14   1H5*    A   2          1H5*        A   2  -5.362   7.332  -6.813
   15   2H5*    A   2          2H5*        A   2  -6.097   6.280  -8.041
   16    H4*    A   2           H4*        A   2  -3.928   5.510  -7.890
   17    H3*    A   2           H3*        A   2  -5.864   3.712  -7.081
   18    H1*    A   2           H1*        A   2  -2.437   4.186  -5.417
   19    H8     A   2           H8         A   2  -5.322   5.319  -3.069
   20   1H6     A   2          1H6         A   2  -2.606   6.007   0.902
   21   2H6     A   2          2H6         A   2  -0.889   5.869   1.218
   22    H2     A   2           H2         A   2   1.044   4.626  -2.629
   23   1H2*    A   2          1H2*        A   2  -5.386   3.725  -4.750
   24   2H2*    A   2          2H2*        A   2  -4.190   2.544  -5.269
   25   1H5*    T   3          1H5*        T   3  -1.817   2.324  -8.298
   26   2H5*    T   3          2H5*        T   3  -1.703   0.997  -9.473
   27    H4*    T   3           H4*        T   3   0.152   0.681  -8.147
   28    H3*    T   3           H3*        T   3  -1.910  -1.254  -7.758
   29   1H2*    T   3          1H2*        T   3  -2.060  -1.129  -5.425
   30   2H2*    T   3          2H2*        T   3  -0.447  -1.828  -5.419
   31    H1*    T   3           H1*        T   3   0.648   0.244  -5.218
   32    H3     T   3           H3         T   3  -0.084   1.715  -1.072
   33   1H5M    T   3          1H5M        T   3  -4.872   1.504  -3.563
   34   2H5M    T   3          2H5M        T   3  -4.599   2.598  -2.186
   35   3H5M    T   3          3H5M        T   3  -4.772   0.847  -1.912
   36    H6     T   3           H6         T   3  -2.993   0.780  -4.733
   37   1H5*    C   4          1H5*        C   4   2.543  -2.438  -6.325
   38   2H5*    C   4          2H5*        C   4   2.741  -3.881  -7.342
   39    H4*    C   4           H4*        C   4   3.961  -4.238  -5.350
   40    H3*    C   4           H3*        C   4   2.171  -6.109  -6.119
   41    H1*    C   4           H1*        C   4   2.213  -4.848  -2.406
   42   1H4     C   4          1H4         C   4  -3.458  -1.446  -1.908
   43   2H4     C   4          2H4         C   4  -2.689  -1.413  -0.341
   44    H5     C   4           H5         C   4  -2.471  -2.523  -3.834
   45    H6     C   4           H6         C   4  -0.542  -3.771  -4.651
   46   1H2*    C   4          1H2*        C   4   0.346  -5.549  -4.701
   47   2H2*    C   4          2H2*        C   4   1.220  -6.619  -3.614
   48   1H5*    A   5          1H5*        A   5   3.454  -6.963  -2.189
   49   2H5*    A   5          2H5*        A   5   4.056  -8.573  -1.746
   50    H4*    A   5           H4*        A   5   2.537  -7.964  -0.074
   51    H3*    A   5           H3*        A   5   1.948 -10.246  -1.586
   52    H1*    A   5           H1*        A   5  -0.502  -7.682  -0.131
   53    H8     A   5           H8         A   5  -0.800  -7.946  -3.990
   54   1H6     A   5          1H6         A   5  -4.465  -4.790  -4.515
   55   2H6     A   5          2H6         A   5  -5.328  -3.766  -3.387
   56    H2     A   5           H2         A   5  -3.512  -4.434   0.646
   57   1H2*    A   5          1H2*        A   5  -0.059  -9.477  -2.569
   58   2H2*    A   5          2H2*        A   5  -0.715  -9.920  -1.001
   59   1H5*  DRT   6          1H5*      DRT   6   0.238  -9.527   2.407
   60   2H5*  DRT   6          2H5*      DRT   6  -1.415  -9.375   1.772
   61    H4*  DRT   6           H4*      DRT   6  -0.437 -10.430   4.329
   62    H3*  DRT   6           H3*      DRT   6  -2.174  -8.484   3.886
   63   1H2*  DRT   6          1H2*      DRT   6  -3.889  -9.595   2.675
   64   2H2*  DRT   6          2H2*      DRT   6  -4.458  -9.963   4.296
   65    H1*  DRT   6           H1*      DRT   6  -3.769 -12.165   4.208
   66    H3   DRT   6           H3       DRT   6  -5.824 -14.229   0.845
   67   1H5M  DRT   6          1H5M      DRT   6  -1.927 -11.928  -1.625
   68   2H5M  DRT   6          2H5M      DRT   6  -3.530 -11.980  -2.396
   69   3H5M  DRT   6          3H5M      DRT   6  -2.998 -10.508  -1.548
   70    H6   DRT   6           H6       DRT   6  -2.398 -10.916   0.985
   71   1H5*    C   7          1H5*        C   7  -0.351  -8.443   7.867
   72   2H5*    C   7          2H5*        C   7  -1.800  -8.249   8.875
   73    H4*    C   7           H4*        C   7  -0.217  -6.728   9.697
   74    H3*    C   7           H3*        C   7  -2.599  -5.728   9.060
   75    H1*    C   7           H1*        C   7   0.570  -3.978   7.466
   76   1H4     C   7          1H4         C   7   0.296  -6.112   1.188
   77   2H4     C   7          2H4         C   7   1.716  -5.108   1.343
   78    H5     C   7           H5         C   7  -1.157  -6.631   3.071
   79    H6     C   7           H6         C   7  -1.565  -6.218   5.447
   80   1H2*    C   7          1H2*        C   7  -2.193  -5.032   6.813
   81   2H2*    C   7          2H2*        C   7  -1.734  -3.561   7.659
   82   1H5*    G   8          1H5*        G   8  -1.905  -0.732  10.352
   83   2H5*    G   8          2H5*        G   8  -2.477  -0.540   8.682
   84    H4*    G   8           H4*        G   8   0.034  -1.941   9.602
   85    H3*    G   8           H3*        G   8  -0.098   0.716   9.345
   86    H1*    G   8           H1*        G   8   0.848  -1.403   6.187
   87    H8     G   8           H8         G   8  -2.927  -0.535   6.412
   88    H1     G   8           H1         G   8  -0.772  -2.370   0.653
   89   1H2     G   8          1H2         G   8   2.286  -2.639   2.233
   90   2H2     G   8          2H2         G   8   1.373  -2.816   0.749
   91   1H2*    G   8          1H2*        G   8  -0.953   0.864   7.116
   92   2H2*    G   8          2H2*        G   8   0.774   0.890   6.784
   93   1H5*    A   9          1H5*        A   9   4.959  -0.225   8.044
   94   2H5*    A   9          2H5*        A   9   5.406   1.452   8.419
   95    H4*    A   9           H4*        A   9   6.184   0.302   6.208
   96    H3*    A   9           H3*        A   9   6.068   2.960   6.928
   97    H1*    A   9           H1*        A   9   4.775   1.532   3.586
   98    H8     A   9           H8         A   9   1.833   2.473   5.950
   99   1H6     A   9          1H6         A   9  -1.662   2.479   2.572
  100   2H6     A   9          2H6         A   9  -1.663   2.180   0.847
  101    H2     A   9           H2         A   9   2.565   1.245  -0.309
  102   1H2*    A   9          1H2*        A   9   4.079   3.554   5.769
  103   2H2*    A   9          2H2*        A   9   5.223   3.725   4.445
  104   1H5*    T  10          1H5*        T  10   6.799   2.066   2.753
  105   2H5*    T  10          2H5*        T  10   8.544   2.226   2.468
  106    H4*    T  10           H4*        T  10   7.803   2.568   0.367
  107    H3*    T  10           H3*        T  10   8.641   4.939   1.452
  108   1H2*    T  10          1H2*        T  10   6.480   5.880   1.875
  109   2H2*    T  10          2H2*        T  10   6.740   6.431   0.226
  110    H1*    T  10           H1*        T  10   5.516   4.566  -0.718
  111    H3     T  10           H3         T  10   1.177   5.413  -0.185
  112   1H5M    T  10          1H5M        T  10   2.283   6.717   4.345
  113   2H5M    T  10          2H5M        T  10   3.410   5.398   4.734
  114   3H5M    T  10          3H5M        T  10   1.680   5.050   4.507
  115    H6     T  10           H6         T  10   4.799   5.051   2.897
  116   1H5*    A  11          1H5*        A  11   8.628   8.168  -1.936
  117   2H5*    A  11          2H5*        A  11   7.509   6.809  -1.701
  118    H4*    A  11           H4*        A  11   8.464   6.638  -4.348
  119    H3*    A  11           H3*        A  11   8.907   9.214  -3.962
  120    H1*    A  11           H1*        A  11   5.091   8.246  -4.741
  121    H8     A  11           H8         A  11   6.281   8.417  -1.046
  122   1H6     A  11          1H6         A  11   1.872   8.498   0.987
  123   2H6     A  11          2H6         A  11   0.245   8.466   0.337
  124    H2     A  11           H2         A  11   0.651   8.222  -4.123
  125    H3T    A  11           H3T        A  11   7.481   7.963  -6.058
  126   1H2*    A  11          1H2*        A  11   6.861   9.917  -2.975
  127   2H2*    A  11          2H2*        A  11   6.435  10.148  -4.664
  Start of MODEL    5
    1   1H5*    T   1          1H5*        T   1  -7.206  11.299  -1.361
    2   2H5*    T   1          2H5*        T   1  -6.722  12.542  -2.530
    3    H4*    T   1           H4*        T   1  -6.557  10.794  -4.264
    4    H3*    T   1           H3*        T   1  -7.949   9.084  -2.575
    5   1H2*    T   1          1H2*        T   1  -6.126   8.521  -1.146
    6   2H2*    T   1          2H2*        T   1  -5.837   7.362  -2.437
    7    H1*    T   1           H1*        T   1  -4.289   8.845  -3.578
    8    H3     T   1           H3         T   1  -0.519   8.158  -1.290
    9   1H5M    T   1          1H5M        T   1  -2.120  11.002   2.120
   10   2H5M    T   1          2H5M        T   1  -3.886  10.887   1.932
   11   3H5M    T   1          3H5M        T   1  -2.979   9.542   2.663
   12    H6     T   1           H6         T   1  -4.692  10.161  -0.133
   13    H5T    T   1           H5T        T   1  -8.833  12.600  -2.783
   14   1H5*    A   2          1H5*        A   2  -5.299   7.470  -5.910
   15   2H5*    A   2          2H5*        A   2  -6.324   6.503  -6.991
   16    H4*    A   2           H4*        A   2  -4.190   5.638  -7.281
   17    H3*    A   2           H3*        A   2  -6.045   3.880  -6.375
   18    H1*    A   2           H1*        A   2  -2.500   4.023  -4.903
   19    H8     A   2           H8         A   2  -5.093   5.537  -2.436
   20   1H6     A   2          1H6         A   2  -2.099   5.993   1.357
   21   2H6     A   2          2H6         A   2  -0.395   5.664   1.597
   22    H2     A   2           H2         A   2   1.156   4.077  -2.307
   23   1H2*    A   2          1H2*        A   2  -5.438   3.920  -4.055
   24   2H2*    A   2          2H2*        A   2  -4.430   2.599  -4.629
   25   1H5*    T   3          1H5*        T   3  -2.179   2.428  -8.166
   26   2H5*    T   3          2H5*        T   3  -2.066   0.875  -9.021
   27    H4*    T   3           H4*        T   3  -0.040   1.395  -7.759
   28    H3*    T   3           H3*        T   3  -1.288  -1.096  -7.723
   29   1H2*    T   3          1H2*        T   3  -2.006  -1.055  -5.458
   30   2H2*    T   3          2H2*        T   3  -0.346  -1.573  -5.196
   31    H1*    T   3           H1*        T   3   0.431   0.683  -4.812
   32    H3     T   3           H3         T   3  -0.757   1.533  -0.608
   33   1H5M    T   3          1H5M        T   3  -5.221   0.495  -1.555
   34   2H5M    T   3          2H5M        T   3  -5.284   0.481  -3.334
   35   3H5M    T   3          3H5M        T   3  -5.296   2.029  -2.455
   36    H6     T   3           H6         T   3  -3.269   0.603  -4.553
   37   1H5*    C   4          1H5*        C   4   3.518  -2.174  -6.044
   38   2H5*    C   4          2H5*        C   4   3.516  -3.664  -7.010
   39    H4*    C   4           H4*        C   4   4.326  -3.943  -4.688
   40    H3*    C   4           H3*        C   4   2.704  -5.726  -6.064
   41    H1*    C   4           H1*        C   4   2.352  -4.759  -2.341
   42   1H4     C   4          1H4         C   4  -3.711  -2.150  -1.760
   43   2H4     C   4          2H4         C   4  -2.972  -2.097  -0.184
   44    H5     C   4           H5         C   4  -2.568  -2.966  -3.727
   45    H6     C   4           H6         C   4  -0.482  -3.897  -4.577
   46   1H2*    C   4          1H2*        C   4   0.706  -5.423  -4.826
   47   2H2*    C   4          2H2*        C   4   1.513  -6.522  -3.716
   48   1H5*    A   5          1H5*        A   5   3.571  -6.549  -2.200
   49   2H5*    A   5          2H5*        A   5   4.375  -7.998  -1.559
   50    H4*    A   5           H4*        A   5   2.684  -7.418  -0.026
   51    H3*    A   5           H3*        A   5   2.666  -9.940  -1.072
   52    H1*    A   5           H1*        A   5  -0.465  -7.872  -0.501
   53    H8     A   5           H8         A   5  -0.062  -8.562  -4.278
   54   1H6     A   5          1H6         A   5  -3.998  -6.121  -5.762
   55   2H6     A   5          2H6         A   5  -5.158  -5.105  -4.933
   56    H2     A   5           H2         A   5  -3.921  -4.961  -0.629
   57   1H2*    A   5          1H2*        A   5   0.885  -9.602  -2.642
   58   2H2*    A   5          2H2*        A   5  -0.010 -10.153  -1.237
   59   1H5*  DRT   6          1H5*      DRT   6   0.404  -9.042   2.823
   60   2H5*  DRT   6          2H5*      DRT   6  -0.988  -9.353   1.765
   61    H4*  DRT   6           H4*      DRT   6  -0.689  -9.665   4.646
   62    H3*  DRT   6           H3*      DRT   6  -2.556  -8.412   3.231
   63   1H2*  DRT   6          1H2*      DRT   6  -3.614 -10.149   2.036
   64   2H2*  DRT   6          2H2*      DRT   6  -4.489 -10.374   3.543
   65    H1*  DRT   6           H1*      DRT   6  -3.354 -12.294   4.084
   66    H3   DRT   6           H3       DRT   6  -3.159 -15.542   1.054
   67   1H5M  DRT   6          1H5M      DRT   6  -2.007 -12.620  -2.308
   68   2H5M  DRT   6          2H5M      DRT   6  -1.864 -11.041  -1.500
   69   3H5M  DRT   6          3H5M      DRT   6  -0.479 -12.161  -1.519
   70    H6   DRT   6           H6       DRT   6  -1.869 -10.953   0.947
   71   1H5*    C   7          1H5*        C   7  -3.963  -7.555   8.031
   72   2H5*    C   7          2H5*        C   7  -5.062  -6.239   7.570
   73    H4*    C   7           H4*        C   7  -3.049  -5.716   9.073
   74    H3*    C   7           H3*        C   7  -4.467  -4.035   7.501
   75    H1*    C   7           H1*        C   7  -0.580  -4.224   7.182
   76   1H4     C   7          1H4         C   7   0.443  -6.942   1.216
   77   2H4     C   7          2H4         C   7   2.004  -6.655   1.949
   78    H5     C   7           H5         C   7  -1.646  -6.462   2.363
   79    H6     C   7           H6         C   7  -2.640  -5.598   4.422
   80   1H2*    C   7          1H2*        C   7  -3.133  -4.109   5.529
   81   2H2*    C   7          2H2*        C   7  -2.307  -2.813   6.381
   82   1H5*    G   8          1H5*        G   8  -1.005  -2.680   9.430
   83   2H5*    G   8          2H5*        G   8  -0.799  -1.281  10.504
   84    H4*    G   8           H4*        G   8   1.192  -1.640   9.196
   85    H3*    G   8           H3*        G   8   0.123   0.825   9.491
   86    H1*    G   8           H1*        G   8   1.217  -0.454   5.992
   87    H8     G   8           H8         G   8  -2.561   0.117   6.307
   88    H1     G   8           H1         G   8  -0.668  -2.638   0.837
   89   1H2     G   8          1H2         G   8   2.453  -2.764   2.334
   90   2H2     G   8          2H2         G   8   1.481  -3.115   0.918
   91   1H2*    G   8          1H2*        G   8  -1.072   0.966   7.428
   92   2H2*    G   8          2H2*        G   8   0.479   1.622   6.925
   93   1H5*    A   9          1H5*        A   9   4.079   0.377   7.553
   94   2H5*    A   9          2H5*        A   9   5.425   1.324   8.220
   95    H4*    A   9           H4*        A   9   5.960   1.048   5.980
   96    H3*    A   9           H3*        A   9   5.616   3.636   6.814
   97    H1*    A   9           H1*        A   9   4.346   2.293   3.440
   98    H8     A   9           H8         A   9   1.410   3.005   5.885
   99   1H6     A   9          1H6         A   9  -2.187   2.454   2.674
  100   2H6     A   9          2H6         A   9  -2.239   2.031   0.977
  101    H2     A   9           H2         A   9   2.024   1.420  -0.306
  102   1H2*    A   9          1H2*        A   9   3.495   4.044   5.799
  103   2H2*    A   9          2H2*        A   9   4.546   4.463   4.454
  104   1H5*    T  10          1H5*        T  10   7.756   2.509   3.119
  105   2H5*    T  10          2H5*        T  10   9.249   3.360   2.671
  106    H4*    T  10           H4*        T  10   8.185   2.511   0.700
  107    H3*    T  10           H3*        T  10   9.043   5.080   0.807
  108   1H2*    T  10          1H2*        T  10   6.919   6.089   1.313
  109   2H2*    T  10          2H2*        T  10   6.939   6.193  -0.440
  110    H1*    T  10           H1*        T  10   5.674   4.124  -0.684
  111    H3     T  10           H3         T  10   1.397   4.984   0.178
  112   1H5M    T  10          1H5M        T  10   4.276   6.833   4.361
  113   2H5M    T  10          2H5M        T  10   2.720   6.041   4.707
  114   3H5M    T  10          3H5M        T  10   2.754   7.616   3.880
  115    H6     T  10           H6         T  10   5.399   5.687   2.678
  116   1H5*    A  11          1H5*        A  11   7.458   3.419  -3.370
  117   2H5*    A  11          2H5*        A  11   8.674   3.942  -4.553
  118    H4*    A  11           H4*        A  11   6.581   3.734  -5.661
  119    H3*    A  11           H3*        A  11   8.015   6.001  -5.956
  120    H1*    A  11           H1*        A  11   4.216   6.164  -5.206
  121    H8     A  11           H8         A  11   6.391   7.084  -2.125
  122   1H6     A  11          1H6         A  11   2.757   8.563   0.745
  123   2H6     A  11          2H6         A  11   1.019   8.629   0.546
  124    H2     A  11           H2         A  11   0.133   7.024  -3.550
  125    H3T    A  11           H3T        A  11   5.584   5.098  -7.042
  126   1H2*    A  11          1H2*        A  11   6.887   7.363  -4.343
  127   2H2*    A  11          2H2*        A  11   5.937   7.726  -5.777
  Start of MODEL    6
    1   1H5*    T   1          1H5*        T   1  -7.035  12.253  -3.681
    2   2H5*    T   1          2H5*        T   1  -8.313  11.025  -3.618
    3    H4*    T   1           H4*        T   1  -6.302  10.659  -5.169
    4    H3*    T   1           H3*        T   1  -7.953   8.785  -3.881
    5   1H2*    T   1          1H2*        T   1  -6.331   7.847  -2.442
    6   2H2*    T   1          2H2*        T   1  -5.818   7.025  -3.909
    7    H1*    T   1           H1*        T   1  -4.140   8.657  -4.414
    8    H3     T   1           H3         T   1  -0.704   8.007  -1.640
    9   1H5M    T   1          1H5M        T   1  -3.679   9.548   1.885
   10   2H5M    T   1          2H5M        T   1  -5.117   8.614   1.407
   11   3H5M    T   1          3H5M        T   1  -3.670   7.774   2.012
   12    H6     T   1           H6         T   1  -5.330   8.902  -0.903
   13    H5T    T   1           H5T        T   1  -6.142  10.866  -1.846
   14   1H5*    A   2          1H5*        A   2  -5.200   7.400  -7.120
   15   2H5*    A   2          2H5*        A   2  -5.982   6.455  -8.405
   16    H4*    A   2           H4*        A   2  -3.891   5.499  -8.221
   17    H3*    A   2           H3*        A   2  -5.996   3.844  -7.515
   18    H1*    A   2           H1*        A   2  -2.566   3.974  -5.840
   19    H8     A   2           H8         A   2  -5.341   5.104  -3.363
   20   1H6     A   2          1H6         A   2  -2.510   5.438   0.568
   21   2H6     A   2          2H6         A   2  -0.792   5.226   0.836
   22    H2     A   2           H2         A   2   1.005   4.168  -3.135
   23   1H2*    A   2          1H2*        A   2  -5.546   3.741  -5.176
   24   2H2*    A   2          2H2*        A   2  -4.458   2.474  -5.724
   25   1H5*    T   3          1H5*        T   3  -1.958   2.285  -8.945
   26   2H5*    T   3          2H5*        T   3  -1.870   0.682  -9.706
   27    H4*    T   3           H4*        T   3   0.139   1.249  -8.419
   28    H3*    T   3           H3*        T   3  -1.165  -1.225  -8.307
   29   1H2*    T   3          1H2*        T   3  -1.845  -1.132  -6.040
   30   2H2*    T   3          2H2*        T   3  -0.171  -1.596  -5.765
   31    H1*    T   3           H1*        T   3   0.552   0.673  -5.444
   32    H3     T   3           H3         T   3  -0.751   1.402  -1.234
   33   1H5M    T   3          1H5M        T   3  -5.239   0.787  -2.435
   34   2H5M    T   3          2H5M        T   3  -5.216   0.899  -4.210
   35   3H5M    T   3          3H5M        T   3  -5.120   2.378  -3.225
   36    H6     T   3           H6         T   3  -3.144   0.812  -5.317
   37   1H5*    C   4          1H5*        C   4   3.575  -1.911  -5.815
   38   2H5*    C   4          2H5*        C   4   3.663  -3.372  -6.820
   39    H4*    C   4           H4*        C   4   4.295  -3.862  -4.548
   40    H3*    C   4           H3*        C   4   2.426  -5.387  -5.926
   41    H1*    C   4           H1*        C   4   2.268  -4.433  -2.185
   42   1H4     C   4          1H4         C   4  -3.372  -1.009  -1.487
   43   2H4     C   4          2H4         C   4  -2.646  -1.169   0.093
   44    H5     C   4           H5         C   4  -2.334  -1.885  -3.499
   45    H6     C   4           H6         C   4  -0.401  -3.074  -4.386
   46   1H2*    C   4          1H2*        C   4   0.507  -4.844  -4.646
   47   2H2*    C   4          2H2*        C   4   1.182  -6.054  -3.564
   48   1H5*    A   5          1H5*        A   5   3.506  -6.777  -2.021
   49   2H5*    A   5          2H5*        A   5   4.016  -8.455  -1.749
   50    H4*    A   5           H4*        A   5   2.614  -7.838   0.050
   51    H3*    A   5           H3*        A   5   1.927 -10.046  -1.497
   52    H1*    A   5           H1*        A   5  -0.472  -7.503   0.062
   53    H8     A   5           H8         A   5  -0.822  -7.595  -3.797
   54   1H6     A   5          1H6         A   5  -4.375  -4.287  -4.142
   55   2H6     A   5          2H6         A   5  -5.169  -3.264  -2.963
   56    H2     A   5           H2         A   5  -3.300  -4.135   1.006
   57   1H2*    A   5          1H2*        A   5  -0.045  -9.163  -2.473
   58   2H2*    A   5          2H2*        A   5  -0.724  -9.684  -0.939
   59   1H5*  DRT   6          1H5*      DRT   6   0.240  -9.466   2.564
   60   2H5*  DRT   6          2H5*      DRT   6  -1.390  -9.252   1.891
   61    H4*  DRT   6           H4*      DRT   6  -0.504 -10.446   4.422
   62    H3*  DRT   6           H3*      DRT   6  -2.158  -8.416   4.019
   63   1H2*  DRT   6          1H2*      DRT   6  -3.901  -9.411   2.755
   64   2H2*  DRT   6          2H2*      DRT   6  -4.498  -9.832   4.354
   65    H1*  DRT   6           H1*      DRT   6  -3.888 -12.051   4.168
   66    H3   DRT   6           H3       DRT   6  -5.959 -13.881   0.678
   67   1H5M  DRT   6          1H5M      DRT   6  -3.585 -11.506  -2.412
   68   2H5M  DRT   6          2H5M      DRT   6  -2.999 -10.113  -1.470
   69   3H5M  DRT   6          3H5M      DRT   6  -1.982 -11.564  -1.642
   70    H6   DRT   6           H6       DRT   6  -2.437 -10.689   1.029
   71   1H5*    C   7          1H5*        C   7  -0.736  -8.611   8.420
   72   2H5*    C   7          2H5*        C   7  -2.263  -8.103   9.172
   73    H4*    C   7           H4*        C   7  -0.450  -6.788  10.030
   74    H3*    C   7           H3*        C   7  -2.730  -5.612   9.273
   75    H1*    C   7           H1*        C   7   0.656  -4.198   7.862
   76   1H4     C   7          1H4         C   7   0.564  -6.148   1.519
   77   2H4     C   7          2H4         C   7   2.048  -5.261   1.787
   78    H5     C   7           H5         C   7  -1.037  -6.578   3.297
   79    H6     C   7           H6         C   7  -1.545  -6.196   5.660
   80   1H2*    C   7          1H2*        C   7  -2.159  -4.986   7.042
   81   2H2*    C   7          2H2*        C   7  -1.613  -3.550   7.896
   82   1H5*    G   8          1H5*        G   8  -1.357  -0.824  10.885
   83   2H5*    G   8          2H5*        G   8  -1.886  -0.307   9.271
   84    H4*    G   8           H4*        G   8   0.401  -2.120  10.008
   85    H3*    G   8           H3*        G   8   0.593   0.536   9.771
   86    H1*    G   8           H1*        G   8   1.176  -1.656   6.585
   87    H8     G   8           H8         G   8  -2.484  -0.418   6.915
   88    H1     G   8           H1         G   8  -0.616  -2.217   1.049
   89   1H2     G   8          1H2         G   8   2.443  -2.804   2.548
   90   2H2     G   8          2H2         G   8   1.495  -2.837   1.076
   91   1H2*    G   8          1H2*        G   8  -0.323   0.801   7.575
   92   2H2*    G   8          2H2*        G   8   1.383   0.635   7.185
   93   1H5*    A   9          1H5*        A   9   4.516  -1.012   6.838
   94   2H5*    A   9          2H5*        A   9   5.612   0.197   7.539
   95    H4*    A   9           H4*        A   9   5.818   0.226   5.161
   96    H3*    A   9           H3*        A   9   5.074   2.591   6.579
   97    H1*    A   9           H1*        A   9   4.102   1.359   3.020
   98    H8     A   9           H8         A   9   1.122   1.682   5.498
   99   1H6     A   9          1H6         A   9  -2.419   1.614   2.175
  100   2H6     A   9          2H6         A   9  -2.422   1.522   0.428
  101    H2     A   9           H2         A   9   1.864   1.279  -0.865
  102   1H2*    A   9          1H2*        A   9   3.196   3.163   5.300
  103   2H2*    A   9          2H2*        A   9   4.345   3.482   4.007
  104   1H5*    T  10          1H5*        T  10   7.010   2.145   2.679
  105   2H5*    T  10          2H5*        T  10   8.609   2.917   2.705
  106    H4*    T  10           H4*        T  10   8.086   2.615   0.448
  107    H3*    T  10           H3*        T  10   8.619   5.144   1.255
  108   1H2*    T  10          1H2*        T  10   6.387   5.976   1.409
  109   2H2*    T  10          2H2*        T  10   6.717   6.329  -0.281
  110    H1*    T  10           H1*        T  10   5.601   4.376  -1.065
  111    H3     T  10           H3         T  10   1.204   4.877  -0.550
  112   1H5M    T  10          1H5M        T  10   1.985   4.687   4.227
  113   2H5M    T  10          2H5M        T  10   1.940   6.426   3.854
  114   3H5M    T  10          3H5M        T  10   3.481   5.649   4.286
  115    H6     T  10           H6         T  10   4.854   5.011   2.517
  116   1H5*    A  11          1H5*        A  11   7.576   5.096  -3.249
  117   2H5*    A  11          2H5*        A  11   9.080   5.562  -4.069
  118    H4*    A  11           H4*        A  11   7.519   6.516  -5.429
  119    H3*    A  11           H3*        A  11   9.001   8.371  -4.132
  120    H1*    A  11           H1*        A  11   5.161   8.714  -4.384
  121    H8     A  11           H8         A  11   6.328   8.308  -0.748
  122   1H6     A  11          1H6         A  11   1.925   8.061   1.306
  123   2H6     A  11          2H6         A  11   0.302   7.972   0.653
  124    H2     A  11           H2         A  11   0.695   7.981  -3.810
  125    H3T    A  11           H3T        A  11   7.037   8.476  -6.124
  126   1H2*    A  11          1H2*        A  11   7.461   8.910  -2.385
  127   2H2*    A  11          2H2*        A  11   6.970  10.080  -3.602
  Start of MODEL    7
    1   1H5*    T   1          1H5*        T   1  -8.331  11.973  -4.578
    2   2H5*    T   1          2H5*        T   1  -7.636  11.483  -3.020
    3    H4*    T   1           H4*        T   1  -6.354  11.237  -5.740
    4    H3*    T   1           H3*        T   1  -8.135   9.431  -4.535
    5   1H2*    T   1          1H2*        T   1  -6.629   8.479  -2.980
    6   2H2*    T   1          2H2*        T   1  -6.069   7.601  -4.396
    7    H1*    T   1           H1*        T   1  -4.318   9.177  -4.858
    8    H3     T   1           H3         T   1  -1.065   8.293  -1.951
    9   1H5M    T   1          1H5M        T   1  -4.393   8.337   1.513
   10   2H5M    T   1          2H5M        T   1  -3.812  10.019   1.534
   11   3H5M    T   1          3H5M        T   1  -5.439   9.647   0.917
   12    H6     T   1           H6         T   1  -5.613   9.616  -1.398
   13    H5T    T   1           H5T        T   1  -5.813  12.965  -3.939
   14   1H5*    A   2          1H5*        A   2  -4.847   8.234  -7.130
   15   2H5*    A   2          2H5*        A   2  -5.382   7.416  -8.613
   16    H4*    A   2           H4*        A   2  -3.266   6.585  -8.319
   17    H3*    A   2           H3*        A   2  -5.294   4.702  -7.884
   18    H1*    A   2           H1*        A   2  -1.930   5.018  -5.997
   19    H8     A   2           H8         A   2  -4.985   5.928  -3.770
   20   1H6     A   2          1H6         A   2  -2.700   5.678   0.509
   21   2H6     A   2          2H6         A   2  -1.055   5.295   0.971
   22    H2     A   2           H2         A   2   1.184   4.425  -2.814
   23   1H2*    A   2          1H2*        A   2  -4.855   4.231  -5.614
   24   2H2*    A   2          2H2*        A   2  -3.537   3.282  -6.287
   25   1H5*    T   3          1H5*        T   3  -1.011   3.488  -8.145
   26   2H5*    T   3          2H5*        T   3  -0.736   2.291  -9.429
   27    H4*    T   3           H4*        T   3   0.882   1.819  -7.834
   28    H3*    T   3           H3*        T   3  -1.077  -0.158  -8.220
   29   1H2*    T   3          1H2*        T   3  -1.954  -0.194  -6.029
   30   2H2*    T   3          2H2*        T   3  -0.486  -1.097  -5.683
   31    H1*    T   3           H1*        T   3   0.712   0.840  -4.953
   32    H3     T   3           H3         T   3  -0.823   1.823  -0.887
   33   1H5M    T   3          1H5M        T   3  -5.270   1.373  -2.988
   34   2H5M    T   3          2H5M        T   3  -4.923   2.530  -4.295
   35   3H5M    T   3          3H5M        T   3  -4.969   3.085  -2.604
   36    H6     T   3           H6         T   3  -2.922   1.576  -5.158
   37   1H5*    C   4          1H5*        C   4   2.899  -1.746  -5.645
   38   2H5*    C   4          2H5*        C   4   3.241  -3.085  -6.761
   39    H4*    C   4           H4*        C   4   3.758  -3.868  -4.613
   40    H3*    C   4           H3*        C   4   1.876  -5.250  -6.065
   41    H1*    C   4           H1*        C   4   1.582  -4.536  -2.277
   42   1H4     C   4          1H4         C   4  -3.824  -0.751  -1.573
   43   2H4     C   4          2H4         C   4  -3.163  -1.051   0.017
   44    H5     C   4           H5         C   4  -2.772  -1.591  -3.602
   45    H6     C   4           H6         C   4  -0.888  -2.858  -4.489
   46   1H2*    C   4          1H2*        C   4  -0.065  -4.619  -4.846
   47   2H2*    C   4          2H2*        C   4   0.464  -5.956  -3.835
   48   1H5*    A   5          1H5*        A   5   3.416  -6.774  -2.496
   49   2H5*    A   5          2H5*        A   5   4.122  -8.353  -2.091
   50    H4*    A   5           H4*        A   5   2.829  -7.711  -0.243
   51    H3*    A   5           H3*        A   5   2.121 -10.070  -1.586
   52    H1*    A   5           H1*        A   5  -0.227  -7.503   0.087
   53    H8     A   5           H8         A   5  -0.845  -7.880  -3.733
   54   1H6     A   5          1H6         A   5  -4.764  -4.994  -3.975
   55   2H6     A   5          2H6         A   5  -5.610  -4.039  -2.777
   56    H2     A   5           H2         A   5  -3.479  -4.600   1.113
   57   1H2*    A   5          1H2*        A   5  -0.047  -9.442  -2.267
   58   2H2*    A   5          2H2*        A   5  -0.439  -9.788  -0.590
   59   1H5*  DRT   6          1H5*      DRT   6   0.374  -8.988   2.352
   60   2H5*  DRT   6          2H5*      DRT   6  -1.375  -9.107   2.066
   61    H4*  DRT   6           H4*      DRT   6   0.263 -10.103   4.269
   62    H3*  DRT   6           H3*      DRT   6  -1.894  -8.591   4.350
   63   1H2*  DRT   6          1H2*      DRT   6  -3.471  -9.984   3.219
   64   2H2*  DRT   6          2H2*      DRT   6  -3.750 -10.516   4.869
   65    H1*  DRT   6           H1*      DRT   6  -2.573 -12.518   4.585
   66    H3   DRT   6           H3       DRT   6  -4.855 -14.835   1.525
   67   1H5M  DRT   6          1H5M      DRT   6  -3.490 -12.199  -1.948
   68   2H5M  DRT   6          2H5M      DRT   6  -3.004 -10.691  -1.133
   69   3H5M  DRT   6          3H5M      DRT   6  -1.796 -11.959  -1.455
   70    H6   DRT   6           H6       DRT   6  -1.995 -11.030   1.251
   71   1H5*    C   7          1H5*        C   7   0.375  -8.593   8.764
   72   2H5*    C   7          2H5*        C   7  -1.242  -8.446   9.484
   73    H4*    C   7           H4*        C   7   0.108  -6.683  10.332
   74    H3*    C   7           H3*        C   7  -2.289  -6.076   9.407
   75    H1*    C   7           H1*        C   7   0.727  -4.114   7.783
   76   1H4     C   7          1H4         C   7   1.352  -6.749   1.773
   77   2H4     C   7          2H4         C   7   3.000  -6.647   2.352
   78    H5     C   7           H5         C   7  -0.562  -6.290   3.185
   79    H6     C   7           H6         C   7  -1.277  -5.563   5.402
   80   1H2*    C   7          1H2*        C   7  -1.766  -5.704   7.109
   81   2H2*    C   7          2H2*        C   7  -1.634  -4.063   7.721
   82   1H5*    G   8          1H5*        G   8  -1.790  -0.975  10.663
   83   2H5*    G   8          2H5*        G   8  -2.288  -0.611   8.998
   84    H4*    G   8           H4*        G   8   0.096  -2.217   9.912
   85    H3*    G   8           H3*        G   8   0.126   0.441   9.700
   86    H1*    G   8           H1*        G   8   0.917  -1.646   6.435
   87    H8     G   8           H8         G   8  -2.793  -0.639   6.905
   88    H1     G   8           H1         G   8  -1.014  -2.145   0.932
   89   1H2     G   8          1H2         G   8   2.116  -2.641   2.329
   90   2H2     G   8          2H2         G   8   1.123  -2.681   0.886
   91   1H2*    G   8          1H2*        G   8  -0.684   0.708   7.473
   92   2H2*    G   8          2H2*        G   8   1.037   0.593   7.139
   93   1H5*    A   9          1H5*        A   9   3.430  -1.215   6.868
   94   2H5*    A   9          2H5*        A   9   4.900  -0.699   7.718
   95    H4*    A   9           H4*        A   9   5.503  -0.569   5.502
   96    H3*    A   9           H3*        A   9   5.480   1.839   6.800
   97    H1*    A   9           H1*        A   9   4.140   1.361   3.214
   98    H8     A   9           H8         A   9   1.286   2.027   5.766
   99   1H6     A   9          1H6         A   9  -2.291   2.554   2.524
  100   2H6     A   9          2H6         A   9  -2.360   2.424   0.780
  101    H2     A   9           H2         A   9   1.782   1.398  -0.603
  102   1H2*    A   9          1H2*        A   9   3.475   2.726   5.866
  103   2H2*    A   9          2H2*        A   9   4.618   3.236   4.633
  104   1H5*    T  10          1H5*        T  10   6.955   1.460   2.533
  105   2H5*    T  10          2H5*        T  10   8.604   2.106   2.393
  106    H4*    T  10           H4*        T  10   7.703   2.291   0.260
  107    H3*    T  10           H3*        T  10   8.465   4.644   1.453
  108   1H2*    T  10          1H2*        T  10   6.267   5.466   1.937
  109   2H2*    T  10          2H2*        T  10   6.487   6.105   0.315
  110    H1*    T  10           H1*        T  10   5.365   4.208  -0.708
  111    H3     T  10           H3         T  10   1.001   4.901  -0.217
  112   1H5M    T  10          1H5M        T  10   3.039   4.597   4.746
  113   2H5M    T  10          2H5M        T  10   1.292   4.671   4.417
  114   3H5M    T  10          3H5M        T  10   2.264   6.160   4.397
  115    H6     T  10           H6         T  10   4.586   4.578   2.912
  116   1H5*    A  11          1H5*        A  11   7.586   4.409  -3.186
  117   2H5*    A  11          2H5*        A  11   8.973   5.235  -3.926
  118    H4*    A  11           H4*        A  11   7.198   5.383  -5.460
  119    H3*    A  11           H3*        A  11   8.388   7.691  -4.676
  120    H1*    A  11           H1*        A  11   4.531   7.382  -4.891
  121    H8     A  11           H8         A  11   5.820   7.247  -1.224
  122   1H6     A  11          1H6         A  11   1.500   7.825   0.935
  123   2H6     A  11          2H6         A  11  -0.129   8.024   0.317
  124    H2     A  11           H2         A  11   0.142   7.879  -4.150
  125    H3T    A  11           H3T        A  11   7.365   6.852  -6.780
  126   1H2*    A  11          1H2*        A  11   6.763   8.430  -3.092
  127   2H2*    A  11          2H2*        A  11   6.104   9.152  -4.554
  Start of MODEL    8
    1   1H5*    T   1          1H5*        T   1  -8.607  10.022  -2.284
    2   2H5*    T   1          2H5*        T   1  -8.466  11.523  -3.219
    3    H4*    T   1           H4*        T   1  -7.571  10.305  -5.104
    4    H3*    T   1           H3*        T   1  -8.669   7.965  -4.029
    5   1H2*    T   1          1H2*        T   1  -6.880   7.398  -2.586
    6   2H2*    T   1          2H2*        T   1  -6.167   6.812  -4.082
    7    H1*    T   1           H1*        T   1  -4.962   8.856  -4.471
    8    H3     T   1           H3         T   1  -1.487   8.312  -1.723
    9   1H5M    T   1          1H5M        T   1  -5.674   8.574   1.502
   10   2H5M    T   1          2H5M        T   1  -4.005   8.820   2.066
   11   3H5M    T   1          3H5M        T   1  -4.966  10.208   1.501
   12    H6     T   1           H6         T   1  -6.120   9.147  -0.967
   13    H5T    T   1           H5T        T   1  -9.791   9.712  -4.674
   14   1H5*    A   2          1H5*        A   2  -4.858   7.463  -6.437
   15   2H5*    A   2          2H5*        A   2  -5.471   6.751  -7.944
   16    H4*    A   2           H4*        A   2  -3.445   5.772  -7.902
   17    H3*    A   2           H3*        A   2  -5.356   3.938  -7.218
   18    H1*    A   2           H1*        A   2  -1.960   4.221  -5.443
   19    H8     A   2           H8         A   2  -4.860   5.376  -3.126
   20   1H6     A   2          1H6         A   2  -2.209   5.896   0.917
   21   2H6     A   2          2H6         A   2  -0.504   5.709   1.264
   22    H2     A   2           H2         A   2   1.478   4.513  -2.576
   23   1H2*    A   2          1H2*        A   2  -4.944   3.875  -4.867
   24   2H2*    A   2          2H2*        A   2  -3.793   2.659  -5.403
   25   1H5*    T   3          1H5*        T   3  -1.194   2.365  -8.529
   26   2H5*    T   3          2H5*        T   3  -1.228   0.852  -9.457
   27    H4*    T   3           H4*        T   3   0.694   0.857  -8.043
   28    H3*    T   3           H3*        T   3  -1.262  -1.213  -7.821
   29   1H2*    T   3          1H2*        T   3  -1.566  -1.146  -5.502
   30   2H2*    T   3          2H2*        T   3   0.090  -1.727  -5.399
   31    H1*    T   3           H1*        T   3   1.015   0.414  -5.099
   32    H3     T   3           H3         T   3  -0.110   1.631  -0.957
   33   1H5M    T   3          1H5M        T   3  -4.676   0.997  -2.041
   34   2H5M    T   3          2H5M        T   3  -4.680   1.229  -3.805
   35   3H5M    T   3          3H5M        T   3  -4.493   2.630  -2.724
   36    H6     T   3           H6         T   3  -2.669   0.823  -4.898
   37   1H5*    C   4          1H5*        C   4   3.071  -2.310  -5.938
   38   2H5*    C   4          2H5*        C   4   3.397  -3.717  -6.972
   39    H4*    C   4           H4*        C   4   4.315  -4.241  -4.893
   40    H3*    C   4           H3*        C   4   2.419  -5.942  -5.848
   41    H1*    C   4           H1*        C   4   2.454  -4.779  -2.144
   42   1H4     C   4          1H4         C   4  -3.006  -1.079  -1.442
   43   2H4     C   4          2H4         C   4  -2.252  -1.216   0.130
   44    H5     C   4           H5         C   4  -2.073  -2.088  -3.437
   45    H6     C   4           H6         C   4  -0.226  -3.406  -4.327
   46   1H2*    C   4          1H2*        C   4   0.576  -5.249  -4.503
   47   2H2*    C   4          2H2*        C   4   1.295  -6.429  -3.415
   48   1H5*    A   5          1H5*        A   5   3.395  -6.877  -1.889
   49   2H5*    A   5          2H5*        A   5   4.058  -8.470  -1.466
   50    H4*    A   5           H4*        A   5   2.541  -7.958   0.232
   51    H3*    A   5           H3*        A   5   2.066 -10.241  -1.187
   52    H1*    A   5           H1*        A   5  -0.681  -7.834  -0.102
   53    H8     A   5           H8         A   5  -0.674  -8.130  -3.925
   54   1H6     A   5          1H6         A   5  -4.017  -4.716  -4.835
   55   2H6     A   5          2H6         A   5  -4.832  -3.544  -3.823
   56    H2     A   5           H2         A   5  -3.264  -4.089   0.335
   57   1H2*    A   5          1H2*        A   5   0.286  -9.398  -2.551
   58   2H2*    A   5          2H2*        A   5  -0.620 -10.013  -1.179
   59   1H5*  DRT   6          1H5*      DRT   6  -0.121  -9.546   2.762
   60   2H5*  DRT   6          2H5*      DRT   6  -1.535  -9.229   1.735
   61    H4*  DRT   6           H4*      DRT   6  -1.341 -10.402   4.426
   62    H3*  DRT   6           H3*      DRT   6  -2.620  -8.219   3.644
   63   1H2*  DRT   6          1H2*      DRT   6  -4.148  -9.077   2.043
   64   2H2*  DRT   6          2H2*      DRT   6  -5.126  -9.326   3.481
   65    H1*  DRT   6           H1*      DRT   6  -4.750 -11.615   3.534
   66    H3   DRT   6           H3       DRT   6  -6.340 -13.437  -0.203
   67   1H5M  DRT   6          1H5M      DRT   6  -1.785 -11.682  -1.838
   68   2H5M  DRT   6          2H5M      DRT   6  -3.207 -11.491  -2.890
   69   3H5M  DRT   6          3H5M      DRT   6  -2.638 -10.121  -1.907
   70    H6   DRT   6           H6       DRT   6  -2.619 -10.587   0.670
   71   1H5*    C   7          1H5*        C   7  -3.060  -8.279   8.561
   72   2H5*    C   7          2H5*        C   7  -4.180  -6.900   8.544
   73    H4*    C   7           H4*        C   7  -2.029  -6.606   9.824
   74    H3*    C   7           H3*        C   7  -3.468  -4.667   8.649
   75    H1*    C   7           H1*        C   7   0.341  -4.992   7.799
   76   1H4     C   7          1H4         C   7   0.413  -7.186   1.543
   77   2H4     C   7          2H4         C   7   2.064  -7.171   2.119
   78    H5     C   7           H5         C   7  -1.468  -6.601   2.961
   79    H6     C   7           H6         C   7  -2.131  -5.856   5.194
   80   1H2*    C   7          1H2*        C   7  -2.387  -4.586   6.523
   81   2H2*    C   7          2H2*        C   7  -1.393  -3.432   7.399
   82   1H5*    G   8          1H5*        G   8   0.232  -3.471  10.276
   83   2H5*    G   8          2H5*        G   8   0.700  -2.047  11.227
   84    H4*    G   8           H4*        G   8   2.182  -2.466   9.318
   85    H3*    G   8           H3*        G   8   1.021   0.073   9.930
   86    H1*    G   8           H1*        G   8   1.913  -1.548   6.498
   87    H8     G   8           H8         G   8  -1.793  -0.525   7.026
   88    H1     G   8           H1         G   8  -0.175  -2.322   1.084
   89   1H2     G   8          1H2         G   8   2.957  -2.874   2.436
   90   2H2     G   8          2H2         G   8   1.932  -2.940   1.017
   91   1H2*    G   8          1H2*        G   8   0.157   0.565   7.811
   92   2H2*    G   8          2H2*        G   8   1.835   0.671   7.297
   93   1H5*    A   9          1H5*        A   9   4.369  -0.337   7.201
   94   2H5*    A   9          2H5*        A   9   5.845   0.304   7.953
   95    H4*    A   9           H4*        A   9   6.354   0.545   5.754
   96    H3*    A   9           H3*        A   9   5.894   2.974   6.963
   97    H1*    A   9           H1*        A   9   4.725   2.047   3.418
   98    H8     A   9           H8         A   9   1.730   2.339   5.879
   99   1H6     A   9          1H6         A   9  -1.794   2.176   2.551
  100   2H6     A   9          2H6         A   9  -1.801   2.002   0.809
  101    H2     A   9           H2         A   9   2.489   1.638  -0.457
  102   1H2*    A   9          1H2*        A   9   3.788   3.462   5.961
  103   2H2*    A   9          2H2*        A   9   4.846   4.075   4.698
  104   1H5*    T  10          1H5*        T  10   7.980   2.520   2.978
  105   2H5*    T  10          2H5*        T  10   9.373   3.590   2.725
  106    H4*    T  10           H4*        T  10   8.380   2.982   0.620
  107    H3*    T  10           H3*        T  10   8.988   5.593   1.233
  108   1H2*    T  10          1H2*        T  10   6.755   6.365   1.593
  109   2H2*    T  10          2H2*        T  10   6.874   6.601  -0.145
  110    H1*    T  10           H1*        T  10   5.850   4.462  -0.628
  111    H3     T  10           H3         T  10   1.496   5.209  -0.087
  112   1H5M    T  10          1H5M        T  10   2.467   5.032   4.715
  113   2H5M    T  10          2H5M        T  10   2.209   6.738   4.282
  114   3H5M    T  10          3H5M        T  10   3.845   6.157   4.670
  115    H6     T  10           H6         T  10   5.191   5.323   2.927
  116   1H5*    A  11          1H5*        A  11   6.945   4.678  -2.880
  117   2H5*    A  11          2H5*        A  11   8.340   4.995  -3.932
  118    H4*    A  11           H4*        A  11   6.622   5.388  -5.368
  119    H3*    A  11           H3*        A  11   7.951   7.674  -4.752
  120    H1*    A  11           H1*        A  11   4.081   7.536  -4.836
  121    H8     A  11           H8         A  11   5.497   7.784  -1.228
  122   1H6     A  11          1H6         A  11   1.244   8.431   1.033
  123   2H6     A  11          2H6         A  11  -0.417   8.476   0.477
  124    H2     A  11           H2         A  11  -0.313   7.817  -3.957
  125    H3T    A  11           H3T        A  11   7.415   7.287  -6.817
  126   1H2*    A  11          1H2*        A  11   6.414   8.581  -3.168
  127   2H2*    A  11          2H2*        A  11   5.740   9.247  -4.650
  Start of MODEL    9
    1   1H5*    T   1          1H5*        T   1  -8.367  11.182  -2.924
    2   2H5*    T   1          2H5*        T   1  -6.868  11.649  -2.096
    3    H4*    T   1           H4*        T   1  -6.601  10.955  -4.946
    4    H3*    T   1           H3*        T   1  -8.117   9.115  -3.466
    5   1H2*    T   1          1H2*        T   1  -6.357   8.204  -2.174
    6   2H2*    T   1          2H2*        T   1  -6.019   7.331  -3.662
    7    H1*    T   1           H1*        T   1  -4.393   8.931  -4.403
    8    H3     T   1           H3         T   1  -0.715   8.095  -2.026
    9   1H5M    T   1          1H5M        T   1  -3.983  10.213   1.484
   10   2H5M    T   1          2H5M        T   1  -4.269   8.471   1.707
   11   3H5M    T   1          3H5M        T   1  -2.644   9.146   1.974
   12    H6     T   1           H6         T   1  -5.119   9.451  -0.797
   13    H5T    T   1           H5T        T   1  -7.003  13.479  -3.090
   14   1H5*    A   2          1H5*        A   2  -5.555   7.754  -7.009
   15   2H5*    A   2          2H5*        A   2  -6.360   6.549  -8.036
   16    H4*    A   2           H4*        A   2  -4.024   6.080  -7.955
   17    H3*    A   2           H3*        A   2  -5.886   4.110  -7.313
   18    H1*    A   2           H1*        A   2  -2.457   4.665  -5.695
   19    H8     A   2           H8         A   2  -5.302   5.562  -3.191
   20   1H6     A   2          1H6         A   2  -2.534   5.672   0.808
   21   2H6     A   2          2H6         A   2  -0.827   5.405   1.089
   22    H2     A   2           H2         A   2   1.007   4.428  -2.882
   23   1H2*    A   2          1H2*        A   2  -5.333   3.875  -5.017
   24   2H2*    A   2          2H2*        A   2  -4.058   2.868  -5.689
   25   1H5*    T   3          1H5*        T   3  -1.323   2.952  -7.974
   26   2H5*    T   3          2H5*        T   3  -1.339   1.502  -9.000
   27    H4*    T   3           H4*        T   3   0.534   1.404  -7.517
   28    H3*    T   3           H3*        T   3  -1.345  -0.689  -7.613
   29   1H2*    T   3          1H2*        T   3  -2.052  -0.609  -5.364
   30   2H2*    T   3          2H2*        T   3  -0.511  -1.400  -5.068
   31    H1*    T   3           H1*        T   3   0.618   0.648  -4.570
   32    H3     T   3           H3         T   3  -0.702   1.767  -0.459
   33   1H5M    T   3          1H5M        T   3  -5.012   2.204  -3.646
   34   2H5M    T   3          2H5M        T   3  -4.972   2.839  -1.983
   35   3H5M    T   3          3H5M        T   3  -5.253   1.105  -2.267
   36    H6     T   3           H6         T   3  -3.042   1.253  -4.582
   37   1H5*    C   4          1H5*        C   4   3.045  -2.138  -5.559
   38   2H5*    C   4          2H5*        C   4   3.191  -3.559  -6.614
   39    H4*    C   4           H4*        C   4   4.011  -4.127  -4.456
   40    H3*    C   4           H3*        C   4   2.166  -5.720  -5.654
   41    H1*    C   4           H1*        C   4   1.903  -4.753  -1.927
   42   1H4     C   4          1H4         C   4  -3.524  -0.995  -1.332
   43   2H4     C   4          2H4         C   4  -2.748  -1.053   0.232
   44    H5     C   4           H5         C   4  -2.586  -2.067  -3.298
   45    H6     C   4           H6         C   4  -0.717  -3.379  -4.151
   46   1H2*    C   4          1H2*        C   4   0.226  -4.987  -4.467
   47   2H2*    C   4          2H2*        C   4   0.772  -6.266  -3.391
   48   1H5*    A   5          1H5*        A   5   3.560  -6.854  -1.965
   49   2H5*    A   5          2H5*        A   5   4.583  -8.210  -1.445
   50    H4*    A   5           H4*        A   5   3.100  -7.985   0.302
   51    H3*    A   5           H3*        A   5   2.898 -10.349  -1.016
   52    H1*    A   5           H1*        A   5  -0.223  -8.339   0.017
   53    H8     A   5           H8         A   5  -0.221  -8.968  -3.715
   54   1H6     A   5          1H6         A   5  -3.711  -5.817  -4.964
   55   2H6     A   5          2H6         A   5  -4.542  -4.552  -4.088
   56    H2     A   5           H2         A   5  -2.869  -4.517   0.066
   57   1H2*    A   5          1H2*        A   5   0.982  -9.852  -2.347
   58   2H2*    A   5          2H2*        A   5   0.202 -10.512  -0.919
   59   1H5*  DRT   6          1H5*      DRT   6   0.447  -9.654   2.722
   60   2H5*  DRT   6          2H5*      DRT   6  -0.970  -9.489   1.664
   61    H4*  DRT   6           H4*      DRT   6  -0.726 -10.570   4.379
   62    H3*  DRT   6           H3*      DRT   6  -2.254  -8.598   3.455
   63   1H2*  DRT   6          1H2*      DRT   6  -3.668  -9.704   1.914
   64   2H2*  DRT   6          2H2*      DRT   6  -4.590 -10.065   3.365
   65    H1*  DRT   6           H1*      DRT   6  -3.911 -12.267   3.440
   66    H3   DRT   6           H3       DRT   6  -5.156 -14.324  -0.307
   67   1H5M  DRT   6          1H5M      DRT   6  -1.769 -10.598  -1.907
   68   2H5M  DRT   6          2H5M      DRT   6  -0.838 -12.115  -1.909
   69   3H5M  DRT   6          3H5M      DRT   6  -2.275 -11.951  -2.946
   70    H6   DRT   6           H6       DRT   6  -1.845 -11.021   0.616
   71   1H5*    C   7          1H5*        C   7  -2.962  -8.616   8.416
   72   2H5*    C   7          2H5*        C   7  -4.183  -7.331   8.306
   73    H4*    C   7           H4*        C   7  -2.149  -6.864   9.727
   74    H3*    C   7           H3*        C   7  -3.663  -5.051   8.455
   75    H1*    C   7           H1*        C   7   0.194  -5.055   7.866
   76   1H4     C   7          1H4         C   7   0.971  -7.206   1.644
   77   2H4     C   7          2H4         C   7   2.561  -7.036   2.353
   78    H5     C   7           H5         C   7  -1.066  -6.804   2.903
   79    H6     C   7           H6         C   7  -1.974  -6.153   5.077
   80   1H2*    C   7          1H2*        C   7  -2.465  -4.912   6.391
   81   2H2*    C   7          2H2*        C   7  -1.641  -3.657   7.305
   82   1H5*    G   8          1H5*        G   8  -0.140  -3.248  10.431
   83   2H5*    G   8          2H5*        G   8  -0.189  -1.673  11.254
   84    H4*    G   8           H4*        G   8   1.678  -2.044   9.601
   85    H3*    G   8           H3*        G   8   0.400   0.327  10.209
   86    H1*    G   8           H1*        G   8   1.355  -0.832   6.673
   87    H8     G   8           H8         G   8  -2.490  -0.867   7.201
   88    H1     G   8           H1         G   8  -0.461  -1.694   1.175
   89   1H2     G   8          1H2         G   8   2.714  -1.523   2.553
   90   2H2     G   8          2H2         G   8   1.745  -1.716   1.109
   91   1H2*    G   8          1H2*        G   8  -0.902   0.527   8.227
   92   2H2*    G   8          2H2*        G   8   0.596   1.236   7.642
   93   1H5*    A   9          1H5*        A   9   4.354   0.193   7.900
   94   2H5*    A   9          2H5*        A   9   5.497   1.440   8.440
   95    H4*    A   9           H4*        A   9   5.937   0.881   6.156
   96    H3*    A   9           H3*        A   9   5.621   3.505   6.940
   97    H1*    A   9           H1*        A   9   4.279   2.010   3.668
   98    H8     A   9           H8         A   9   1.358   2.489   6.192
   99   1H6     A   9          1H6         A   9  -2.248   2.381   2.946
  100   2H6     A   9          2H6         A   9  -2.298   2.227   1.201
  101    H2     A   9           H2         A   9   1.961   1.849  -0.168
  102   1H2*    A   9          1H2*        A   9   3.495   3.900   5.940
  103   2H2*    A   9          2H2*        A   9   4.519   4.230   4.550
  104   1H5*    T  10          1H5*        T  10   6.979   2.224   2.669
  105   2H5*    T  10          2H5*        T  10   8.567   3.015   2.564
  106    H4*    T  10           H4*        T  10   7.872   2.551   0.358
  107    H3*    T  10           H3*        T  10   8.597   5.076   0.949
  108   1H2*    T  10          1H2*        T  10   6.406   5.978   1.345
  109   2H2*    T  10          2H2*        T  10   6.611   6.342  -0.361
  110    H1*    T  10           H1*        T  10   5.380   4.392  -1.059
  111    H3     T  10           H3         T  10   1.042   5.042  -0.312
  112   1H5M    T  10          1H5M        T  10   1.981   6.746   3.941
  113   2H5M    T  10          2H5M        T  10   3.614   6.132   4.292
  114   3H5M    T  10          3H5M        T  10   2.206   5.055   4.447
  115    H6     T  10           H6         T  10   4.866   5.204   2.531
  116   1H5*    A  11          1H5*        A  11   7.209   4.213  -3.474
  117   2H5*    A  11          2H5*        A  11   8.755   4.490  -4.301
  118    H4*    A  11           H4*        A  11   7.238   4.826  -5.985
  119    H3*    A  11           H3*        A  11   8.632   7.032  -5.415
  120    H1*    A  11           H1*        A  11   4.698   7.325  -5.532
  121    H8     A  11           H8         A  11   6.330   7.360  -2.028
  122   1H6     A  11          1H6         A  11   2.261   8.022   0.541
  123   2H6     A  11          2H6         A  11   0.566   8.115   0.106
  124    H2     A  11           H2         A  11   0.344   7.567  -4.339
  125    H3T    A  11           H3T        A  11   6.572   6.545  -7.269
  126   1H2*    A  11          1H2*        A  11   7.135   8.110  -3.907
  127   2H2*    A  11          2H2*        A  11   6.549   8.781  -5.423
  Start of MODEL   10
    1   1H5*    T   1          1H5*        T   1  -8.096  11.005  -2.375
    2   2H5*    T   1          2H5*        T   1  -7.370  12.517  -2.952
    3    H4*    T   1           H4*        T   1  -6.758  11.310  -5.057
    4    H3*    T   1           H3*        T   1  -8.314   9.176  -4.095
    5   1H2*    T   1          1H2*        T   1  -6.688   8.194  -2.690
    6   2H2*    T   1          2H2*        T   1  -6.058   7.585  -4.214
    7    H1*    T   1           H1*        T   1  -4.494   9.387  -4.453
    8    H3     T   1           H3         T   1  -1.168   8.299  -1.698
    9   1H5M    T   1          1H5M        T   1  -3.984   9.799   1.905
   10   2H5M    T   1          2H5M        T   1  -5.549   9.159   1.349
   11   3H5M    T   1          3H5M        T   1  -4.274   8.043   1.893
   12    H6     T   1           H6         T   1  -5.745   9.420  -0.953
   13    H5T    T   1           H5T        T   1  -9.027  12.815  -4.198
   14   1H5*    A   2          1H5*        A   2  -4.835   8.384  -6.659
   15   2H5*    A   2          2H5*        A   2  -5.408   7.811  -8.238
   16    H4*    A   2           H4*        A   2  -3.401   6.783  -8.173
   17    H3*    A   2           H3*        A   2  -5.432   4.959  -7.724
   18    H1*    A   2           H1*        A   2  -2.028   4.990  -5.900
   19    H8     A   2           H8         A   2  -4.970   5.993  -3.564
   20   1H6     A   2          1H6         A   2  -2.523   5.708   0.621
   21   2H6     A   2          2H6         A   2  -0.863   5.318   1.016
   22    H2     A   2           H2         A   2   1.226   4.474  -2.861
   23   1H2*    A   2          1H2*        A   2  -5.007   4.507  -5.435
   24   2H2*    A   2          2H2*        A   2  -3.816   3.421  -6.134
   25   1H5*    T   3          1H5*        T   3  -1.026   3.209  -8.325
   26   2H5*    T   3          2H5*        T   3  -1.225   1.879  -9.486
   27    H4*    T   3           H4*        T   3   0.494   1.269  -7.975
   28    H3*    T   3           H3*        T   3  -1.740  -0.383  -8.249
   29   1H2*    T   3          1H2*        T   3  -2.596  -0.140  -6.051
   30   2H2*    T   3          2H2*        T   3  -1.352  -1.331  -5.699
   31    H1*    T   3           H1*        T   3   0.258   0.339  -5.057
   32    H3     T   3           H3         T   3  -0.829   1.870  -1.007
   33   1H5M    T   3          1H5M        T   3  -5.076   3.069  -2.292
   34   2H5M    T   3          2H5M        T   3  -5.440   1.499  -3.049
   35   3H5M    T   3          3H5M        T   3  -5.059   2.911  -4.064
   36    H6     T   3           H6         T   3  -3.260   1.490  -5.088
   37   1H5*    C   4          1H5*        C   4   2.443  -2.126  -6.482
   38   2H5*    C   4          2H5*        C   4   2.523  -3.681  -7.336
   39    H4*    C   4           H4*        C   4   3.716  -3.843  -5.268
   40    H3*    C   4           H3*        C   4   1.913  -5.741  -5.963
   41    H1*    C   4           H1*        C   4   1.969  -4.248  -2.384
   42   1H4     C   4          1H4         C   4  -3.605  -0.693  -1.850
   43   2H4     C   4          2H4         C   4  -2.899  -0.827  -0.258
   44    H5     C   4           H5         C   4  -2.598  -1.683  -3.818
   45    H6     C   4           H6         C   4  -0.707  -2.984  -4.651
   46   1H2*    C   4          1H2*        C   4   0.063  -5.001  -4.644
   47   2H2*    C   4          2H2*        C   4   0.858  -6.053  -3.480
   48   1H5*    A   5          1H5*        A   5   3.259  -6.137  -1.855
   49   2H5*    A   5          2H5*        A   5   4.409  -7.481  -1.692
   50    H4*    A   5           H4*        A   5   3.439  -7.334   0.405
   51    H3*    A   5           H3*        A   5   3.079  -9.690  -0.793
   52    H1*    A   5           H1*        A   5  -0.068  -7.881   0.661
   53    H8     A   5           H8         A   5  -0.284  -8.394  -3.068
   54   1H6     A   5          1H6         A   5  -3.901  -5.270  -4.030
   55   2H6     A   5          2H6         A   5  -4.701  -4.053  -3.063
   56    H2     A   5           H2         A   5  -2.801  -4.100   0.983
   57   1H2*    A   5          1H2*        A   5   0.968  -9.284  -1.830
   58   2H2*    A   5          2H2*        A   5   0.441  -9.993  -0.314
   59   1H5*  DRT   6          1H5*      DRT   6   0.768  -8.979   2.990
   60   2H5*  DRT   6          2H5*      DRT   6  -0.794  -9.018   2.147
   61    H4*  DRT   6           H4*      DRT   6   0.007 -10.125   4.750
   62    H3*  DRT   6           H3*      DRT   6  -1.864  -8.332   4.197
   63   1H2*  DRT   6          1H2*      DRT   6  -3.313  -9.526   2.749
   64   2H2*  DRT   6          2H2*      DRT   6  -4.008 -10.057   4.274
   65    H1*  DRT   6           H1*      DRT   6  -3.077 -12.172   4.136
   66    H3   DRT   6           H3       DRT   6  -4.553 -14.157   0.428
   67   1H5M  DRT   6          1H5M      DRT   6  -2.239 -11.357  -2.356
   68   2H5M  DRT   6          2H5M      DRT   6  -1.676 -10.051  -1.286
   69   3H5M  DRT   6          3H5M      DRT   6  -0.676 -11.505  -1.519
   70    H6   DRT   6           H6       DRT   6  -1.496 -10.581   1.181
   71   1H5*    C   7          1H5*        C   7  -0.892  -8.399   9.060
   72   2H5*    C   7          2H5*        C   7  -2.596  -7.964   9.308
   73    H4*    C   7           H4*        C   7  -1.153  -6.405  10.453
   74    H3*    C   7           H3*        C   7  -3.247  -5.522   9.123
   75    H1*    C   7           H1*        C   7   0.236  -4.027   7.979
   76   1H4     C   7          1H4         C   7   1.529  -7.128   2.295
   77   2H4     C   7          2H4         C   7   3.054  -7.141   3.148
   78    H5     C   7           H5         C   7  -0.535  -6.367   3.333
   79    H6     C   7           H6         C   7  -1.522  -5.420   5.353
   80   1H2*    C   7          1H2*        C   7  -2.301  -5.314   6.939
   81   2H2*    C   7          2H2*        C   7  -2.053  -3.682   7.537
   82   1H5*    G   8          1H5*        G   8  -1.789  -0.726  10.593
   83   2H5*    G   8          2H5*        G   8  -2.109   0.061   9.035
   84    H4*    G   8           H4*        G   8  -0.031  -1.959   9.775
   85    H3*    G   8           H3*        G   8   0.298   0.684   9.510
   86    H1*    G   8           H1*        G   8   0.894  -1.589   6.351
   87    H8     G   8           H8         G   8  -2.686  -0.147   6.623
   88    H1     G   8           H1         G   8  -0.825  -1.957   0.761
   89   1H2     G   8          1H2         G   8   2.170  -2.764   2.312
   90   2H2     G   8          2H2         G   8   1.247  -2.725   0.824
   91   1H2*    G   8          1H2*        G   8  -0.446   0.976   7.263
   92   2H2*    G   8          2H2*        G   8   1.255   0.658   6.963
   93   1H5*    A   9          1H5*        A   9   3.403  -1.536   6.711
   94   2H5*    A   9          2H5*        A   9   4.926  -1.053   7.484
   95    H4*    A   9           H4*        A   9   5.416  -1.149   5.216
   96    H3*    A   9           H3*        A   9   5.753   1.286   6.403
   97    H1*    A   9           H1*        A   9   4.183   0.859   2.918
   98    H8     A   9           H8         A   9   1.538   1.951   5.549
   99   1H6     A   9          1H6         A   9  -2.106   2.703   2.433
  100   2H6     A   9          2H6         A   9  -2.271   2.507   0.703
  101    H2     A   9           H2         A   9   1.680   0.989  -0.794
  102   1H2*    A   9          1H2*        A   9   3.796   2.357   5.554
  103   2H2*    A   9          2H2*        A   9   4.923   2.717   4.254
  104   1H5*    T  10          1H5*        T  10   6.851   0.746   1.894
  105   2H5*    T  10          2H5*        T  10   8.542   1.275   1.760
  106    H4*    T  10           H4*        T  10   7.600   1.637  -0.344
  107    H3*    T  10           H3*        T  10   8.603   3.844   0.967
  108   1H2*    T  10          1H2*        T  10   6.532   4.902   1.486
  109   2H2*    T  10          2H2*        T  10   6.761   5.521  -0.143
  110    H1*    T  10           H1*        T  10   5.385   3.808  -1.131
  111    H3     T  10           H3         T  10   1.125   4.797  -0.315
  112   1H5M    T  10          1H5M        T  10   2.856   5.914   4.199
  113   2H5M    T  10          2H5M        T  10   3.477   4.271   4.485
  114   3H5M    T  10          3H5M        T  10   1.729   4.539   4.282
  115    H6     T  10           H6         T  10   4.895   4.161   2.538
  116   1H5*    A  11          1H5*        A  11   7.100   4.378  -3.609
  117   2H5*    A  11          2H5*        A  11   8.601   5.029  -4.303
  118    H4*    A  11           H4*        A  11   6.924   5.948  -5.611
  119    H3*    A  11           H3*        A  11   8.463   7.740  -4.268
  120    H1*    A  11           H1*        A  11   4.642   8.095  -4.501
  121    H8     A  11           H8         A  11   5.781   7.280  -0.891
  122   1H6     A  11          1H6         A  11   1.395   7.519   1.196
  123   2H6     A  11          2H6         A  11  -0.219   7.774   0.564
  124    H2     A  11           H2         A  11   0.173   8.194  -3.879
  125    H3T    A  11           H3T        A  11   8.042   8.224  -6.305
  126   1H2*    A  11          1H2*        A  11   6.940   8.237  -2.489
  127   2H2*    A  11          2H2*        A  11   6.451   9.448  -3.667
  Start of MODEL   11
    1   1H5*    T   1          2H5*        T   1  -7.559  11.490  -2.764
    2   2H5*    T   1          1H5*        T   1  -7.873  11.606  -3.356
    3    H4*    T   1           H4*        T   1  -6.530  10.877  -5.030
    4    H3*    T   1           H3*        T   1  -8.039   8.990  -3.685
    5   1H2*    T   1          1H2*        T   1  -6.358   8.143  -2.283
    6   2H2*    T   1          2H2*        T   1  -5.885   7.307  -3.732
    7    H1*    T   1           H1*        T   1  -4.312   8.961  -4.343
    8    H3     T   1           H3         T   1  -0.811   8.204  -1.748
    9   1H5M    T   1          1H5M        T   1  -3.988   9.487   1.785
   10   2H5M    T   1          2H5M        T   1  -4.139   9.169   1.734
   11   3H5M    T   1          3H5M        T   1  -3.796   9.184   1.811
   12    H6     T   1           H6         T   1  -5.284   9.429  -0.817
   13   3H5*    T   1          3H5*        T   1  -7.461  11.901  -3.132
   14   1H5*    A   2          1H5*        A   2  -5.191   7.868  -6.800
   15   2H5*    A   2          2H5*        A   2  -5.929   6.922  -8.053
   16    H4*    A   2           H4*        A   2  -3.760   6.256  -8.067
   17    H3*    A   2           H3*        A   2  -5.616   4.335  -7.525
   18    H1*    A   2           H1*        A   2  -2.213   4.654  -5.780
   19    H8     A   2           H8         A   2  -5.124   5.611  -3.406
   20   1H6     A   2          1H6         A   2  -2.540   5.691   0.685
   21   2H6     A   2          2H6         A   2  -0.856   5.417   1.033
   22    H2     A   2           H2         A   2   1.140   4.476  -2.856
   23   1H2*    A   2          1H2*        A   2  -5.137   4.053  -5.226
   24   2H2*    A   2          2H2*        A   2  -3.921   2.993  -5.886
   25   1H5*    T   3          1H5*        T   3  -1.284   2.952  -8.315
   26   2H5*    T   3          2H5*        T   3  -1.264   1.585  -9.406
   27    H4*    T   3           H4*        T   3   0.509   1.306  -7.918
   28    H3*    T   3           H3*        T   3  -1.475  -0.642  -8.041
   29   1H2*    T   3          1H2*        T   3  -2.152  -0.556  -5.802
   30   2H2*    T   3          2H2*        T   3  -0.672  -1.412  -5.536
   31    H1*    T   3           H1*        T   3   0.533   0.544  -5.009
   32    H3     T   3           H3         T   3  -0.687   1.740  -0.907
   33   1H5M    T   3          1H5M        T   3  -5.091   2.039  -2.788
   34   2H5M    T   3          2H5M        T   3  -5.102   1.895  -3.104
   35   3H5M    T   3          3H5M        T   3  -5.025   2.229  -3.073
   36    H6     T   3           H6         T   3  -3.085   1.245  -4.973
   37   1H5*    C   4          1H5*        C   4   2.516  -2.299  -6.090
   38   2H5*    C   4          2H5*        C   4   2.600  -3.548  -6.872
   39    H4*    C   4           H4*        C   4   3.696  -3.875  -4.977
   40    H3*    C   4           H3*        C   4   1.985  -5.639  -5.827
   41    H1*    C   4           H1*        C   4   1.891  -4.338  -2.286
   42   1H4     C   4          1H4         C   4  -3.720  -0.931  -1.599
   43   2H4     C   4          2H4         C   4  -2.974  -1.034  -0.032
   44    H5     C   4           H5         C   4  -2.724  -1.893  -3.584
   45    H6     C   4           H6         C   4  -0.813  -3.121  -4.456
   46   1H2*    C   4          1H2*        C   4   0.110  -4.968  -4.534
   47   2H2*    C   4          2H2*        C   4   0.870  -6.041  -3.454
   48   1H5*    A   5          1H5*        A   5   3.456  -6.462  -2.046
   49   2H5*    A   5          2H5*        A   5   4.338  -7.923  -1.658
   50    H4*    A   5           H4*        A   5   2.954  -7.532   0.156
   51    H3*    A   5           H3*        A   5   2.621  -9.885  -1.177
   52    H1*    A   5           H1*        A   5  -0.256  -7.764   0.136
   53    H8     A   5           H8         A   5  -0.448  -8.215  -3.652
   54   1H6     A   5          1H6         A   5  -4.228  -5.340  -4.458
   55   2H6     A   5          2H6         A   5  -5.125  -4.275  -3.436
   56    H2     A   5           H2         A   5  -3.303  -4.500   0.619
   57   1H2*    A   5          1H2*        A   5   0.601  -9.381  -2.272
   58   2H2*    A   5          2H2*        A   5  -0.029  -9.955  -0.754
   59   1H5*  DRT   6          1H5*      DRT   6   0.520  -9.175   2.695
   60   2H5*  DRT   6          2H5*      DRT   6  -1.042  -9.208   1.931
   61    H4*  DRT   6           H4*      DRT   6  -0.192 -10.172   4.506
   62    H3*  DRT   6           H3*      DRT   6  -2.037  -8.461   3.945
   63   1H2*  DRT   6          1H2*      DRT   6  -3.481  -9.724   2.586
   64   2H2*  DRT   6          2H2*      DRT   6  -4.135 -10.157   4.138
   65    H1*  DRT   6           H1*      DRT   6  -3.203 -12.239   4.103
   66    H3   DRT   6           H3       DRT   6  -4.717 -14.490   0.629
   67   1H5M  DRT   6          1H5M      DRT   6  -2.056 -11.612  -1.952
   68   2H5M  DRT   6          2H5M      DRT   6  -2.111 -11.210  -1.757
   69   3H5M  DRT   6          3H5M      DRT   6  -1.692 -11.407  -1.765
   70    H6   DRT   6           H6       DRT   6  -1.798 -10.841   1.022
   71   1H5*    C   7          1H5*        C   7  -1.260  -8.377   8.608
   72   2H5*    C   7          2H5*        C   7  -2.752  -7.766   8.962
   73    H4*    C   7           H4*        C   7  -1.087  -6.494  10.020
   74    H3*    C   7           H3*        C   7  -3.131  -5.404   8.906
   75    H1*    C   7           H1*        C   7   0.294  -4.231   7.769
   76   1H4     C   7          1H4         C   7   0.933  -6.713   1.717
   77   2H4     C   7          2H4         C   7   2.472  -6.338   2.286
   78    H5     C   7           H5         C   7  -0.946  -6.486   3.110
   79    H6     C   7           H6         C   7  -1.723  -5.814   5.300
   80   1H2*    C   7          1H2*        C   7  -2.303  -5.079   6.731
   81   2H2*    C   7          2H2*        C   7  -1.856  -3.605   7.481
   82   1H5*    G   8          1H5*        G   8  -1.419  -1.516  10.582
   83   2H5*    G   8          2H5*        G   8  -1.684  -0.639   9.721
   84    H4*    G   8           H4*        G   8   0.449  -2.068   9.735
   85    H3*    G   8           H3*        G   8   0.219   0.557   9.708
   86    H1*    G   8           H1*        G   8   0.972  -1.425   6.442
   87    H8     G   8           H8         G   8  -2.727  -0.420   6.823
   88    H1     G   8           H1         G   8  -0.868  -2.062   0.933
   89   1H2     G   8          1H2         G   8   2.220  -2.542   2.396
   90   2H2     G   8          2H2         G   8   1.257  -2.604   0.939
   91   1H2*    G   8          1H2*        G   8  -0.691   0.830   7.535
   92   2H2*    G   8          2H2*        G   8   0.992   0.819   7.127
   93   1H5*    A   9          1H5*        A   9   3.982  -0.757   7.250
   94   2H5*    A   9          2H5*        A   9   5.204   0.166   7.910
   95    H4*    A   9           H4*        A   9   5.715  -0.082   5.654
   96    H3*    A   9           H3*        A   9   5.574   2.414   6.739
   97    H1*    A   9           H1*        A   9   4.236   1.460   3.281
   98    H8     A   9           H8         A   9   1.377   2.170   5.790
   99   1H6     A   9          1H6         A   9  -2.204   2.365   2.534
  100   2H6     A   9          2H6         A   9  -2.267   2.171   0.800
  101    H2     A   9           H2         A   9   1.898   1.315  -0.532
  102   1H2*    A   9          1H2*        A   9   3.553   3.118   5.732
  103   2H2*    A   9          2H2*        A   9   4.653   3.502   4.424
  104   1H5*    T  10          1H5*        T  10   6.942   1.660   2.530
  105   2H5*    T  10          2H5*        T  10   8.570   2.289   2.371
  106    H4*    T  10           H4*        T  10   7.750   2.182   0.218
  107    H3*    T  10           H3*        T  10   8.586   4.600   1.095
  108   1H2*    T  10          1H2*        T  10   6.444   5.562   1.509
  109   2H2*    T  10          2H2*        T  10   6.662   6.003  -0.172
  110    H1*    T  10           H1*        T  10   5.404   4.121  -0.959
  111    H3     T  10           H3         T  10   1.112   5.010  -0.291
  112   1H5M    T  10          1H5M        T  10   2.558   5.422   4.362
  113   2H5M    T  10          2H5M        T  10   2.495   5.536   4.322
  114   3H5M    T  10          3H5M        T  10   2.628   5.535   4.331
  115    H6     T  10           H6         T  10   4.829   4.745   2.650
  116   1H5*    A  11          1H5*        A  11   7.407   4.591  -3.272
  117   2H5*    A  11          2H5*        A  11   8.615   4.914  -3.986
  118    H4*    A  11           H4*        A  11   7.217   5.349  -5.575
  119    H3*    A  11           H3*        A  11   8.598   7.453  -4.806
  120    H1*    A  11           H1*        A  11   4.741   7.619  -4.955
  121    H8     A  11           H8         A  11   6.179   7.465  -1.395
  122   1H6     A  11          1H6         A  11   1.995   7.994   0.962
  123   2H6     A  11          2H6         A  11   0.338   8.120   0.442
  124    H2     A  11           H2         A  11   0.365   7.831  -4.002
  125    H3T    A  11           H3T        A  11   7.166   7.113  -6.780
  126   1H2*    A  11          1H2*        A  11   7.079   8.309  -3.230
  127   2H2*    A  11          2H2*        A  11   6.514   9.106  -4.645