*HEADER    DNA                                     22-JUL-06   2HSR              
*TITLE     13MER DUPLEX DNA CONTAINING AN ABASIC SITE WITH BETA ANOMER           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-D(*CP*CP*AP*AP*AP*GP*(B1P)P*AP*CP*CP*GP*GP*G)-          
*COMPND   3 3';                                                                  
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MOL_ID: 2;                                                           
*COMPND   7 MOLECULE: 5'-D(*CP*CP*CP*GP*GP*TP*AP*CP*TP*TP*TP*GP*G)-3';           
*COMPND   8 CHAIN: B;                                                            
*COMPND   9 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 MOL_ID: 2;                                                           
*SOURCE   4 SYNTHETIC: YES                                                       
*KEYWDS    ABASIC SITE, DNA DAMAGE, BASE EXCISION REPAIR, APE1                   
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    J.CHEN, F.Y.DUPRADEAU, D.A.CASE, C.J.TURNER, J.STUBBE                 
*REVDAT   1   29-MAY-07 2HSR    0                                                


# distance restraints from NOESY
# 1  CYT  H6  1  CYT  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  10, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00, 
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 /
#
# 1  CYT  H6  1  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  26, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 1  CYT  H6  1  CYT  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  27, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 1  CYT  H6  1  CYT  H3'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  24, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 1  CYT  H6  1  CYT  H4'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  13,   7, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 1  CYT  H6  1  CYT  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  13,   4, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 1  CYT  H6  1  CYT  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  13,   5, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 1  CYT  H6  1  CYT  H5  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  15, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 1  CYT  H1'  1  CYT  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  27, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 1  CYT  H2'1  1  CYT  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  27, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 1  CYT  H3'  1  CYT  H2'1  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  24,  26, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 1  CYT  H3'  1  CYT  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  24,  27, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 1  CYT  H3'  1  CYT  H4'  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  24,   7, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 1  CYT  H3'  1  CYT  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  24,   4, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 1  CYT  H3'  1  CYT  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  24,   5, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 1  CYT  H4'  1  CYT  H5'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=   7,   4, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 1  CYT  H4'  1  CYT  H5'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=   7,   5, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 1  CYT  H1'  2  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  43, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 1  CYT  H2'1  2  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  43, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 1  CYT  H2'2  2  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  43, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 1  CYT  H3'  2  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  24,  43, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 1  CYT  H6  2  CYT  H5  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  45, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 2  CYT  H6  2  CYT  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  40, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 2  CYT  H6  2  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  56, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 2  CYT  H6  2  CYT  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  57, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 2  CYT  H6  2  CYT  H3'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  54, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 2  CYT  H6  2  CYT  H4'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  37, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 2  CYT  H6  2  CYT  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  34, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 2  CYT  H6  2  CYT  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  35, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 2  CYT  H6  2  CYT  H5  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  45, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 2  CYT  H1'  2  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  56, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 2  CYT  H1'  2  CYT  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  57, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 2  CYT  H2'1  2  CYT  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  57, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 2  CYT  H3'  2  CYT  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  34, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 2  CYT  H3'  2  CYT  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  35, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 2  CYT  H3'  2  CYT  H2'1  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  56, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 2  CYT  H3'  2  CYT  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  57, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 2  CYT  H3'  2  CYT  H4'  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  37, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 2  CYT  H1'  3  ADE  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  73, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 2  CYT  H2'1  3  ADE  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  73, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 2  CYT  H2'2  3  ADE  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  73, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 2  CYT  H3'  3  ADE  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  73, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 3  ADE  H8  3  ADE  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  70, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 3  ADE  H8  3  ADE  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  88, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 3  ADE  H8  3  ADE  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  89, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 3  ADE  H8  3  ADE  H3'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  86, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 3  ADE  H8  3  ADE  H4'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  67, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 3  ADE  H8  3  ADE  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  64, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 3  ADE  H8  3  ADE  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  65, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 3  ADE  H1'  3  ADE  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  70,  88, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 3  ADE  H1'  3  ADE  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  70,  89, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 3  ADE  H2'1  3  ADE  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  89, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 3  ADE  H3'  3  ADE  H2'1  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  88, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 3  ADE  H3'  3  ADE  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  89, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 3  ADE  H4'  3  ADE  H2'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  67,  88, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 3  ADE  H4'  3  ADE  H2'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  67,  89, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 3  ADE  H3'  3  ADE  H4'  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  67, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 3  ADE  H3'  3  ADE  H5'1  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  64, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 3  ADE  H3'  3  ADE  H5'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  65, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 3  ADE  H1'  4  ADE  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  70, 105, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 3  ADE  H2'1  4  ADE  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  88, 105, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 3  ADE  H2'2  4  ADE  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  89, 105, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 3  ADE  H3'  4  ADE  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  86, 105, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 3  ADE  H5'1  4  ADE  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  64, 105, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 3  ADE  H5'2  4  ADE  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  65, 105, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 4  ADE  H8  4  ADE  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 102, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 4  ADE  H8  4  ADE  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 120, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 4  ADE  H8  4  ADE  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 121, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 4  ADE  H8  4  ADE  H3'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 118, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 4  ADE  H8  4  ADE  H4'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  99, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 4  ADE  H8  4  ADE  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  96, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 4  ADE  H8  4  ADE  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  97, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 4  ADE  H1'  4  ADE  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 120, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 4  ADE  H1'  4  ADE  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 121, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 4  ADE  H2'1  4  ADE  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 121, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 4  ADE  H3'  4  ADE  H2'1  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 120, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 4  ADE  H3'  4  ADE  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 121, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 4  ADE  H4'  4  ADE  H2'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 120, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 4  ADE  H4'  4  ADE  H2'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 121, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 4  ADE  H3'  4  ADE  H5'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 118,  96, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 4  ADE  H3'  4  ADE  H5'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 118,  97, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 4  ADE  H3'  4  ADE  H4'  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 118,  99, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 4  ADE  H1'  5  ADE  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 137, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 4  ADE  H2'1  5  ADE  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 137, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 4  ADE  H2'2  5  ADE  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 137, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 4  ADE  H3'  5  ADE  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 137, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 5  ADE  H8  5  ADE  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 134, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 5  ADE  H8  5  ADE  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 152, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 5  ADE  H8  5  ADE  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 153, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 5  ADE  H8  5  ADE  H3'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 150, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 5  ADE  H8  5  ADE  H4'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 131, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 5  ADE  H8  5  ADE  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 128, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 5  ADE  H8  5  ADE  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 129, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 5  ADE  H1'  5  ADE  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 152, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 5  ADE  H1'  5  ADE  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 153, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 5  ADE  H2'1  5  ADE  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 153, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 5  ADE  H3'  5  ADE  H2'1  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 152, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 5  ADE  H3'  5  ADE  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 153, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 5  ADE  H3'  5  ADE  H5'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 128, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 5  ADE  H3'  5  ADE  H5'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 129, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 5  ADE  H3'  5  ADE  H4'  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 131, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 5  ADE  H1'  6  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 169, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 5  ADE  H2'1  6  GUA  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 169, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 5  ADE  H2'2  6  GUA  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 169, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 5  ADE  H3'  6  GUA  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 169, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 6  GUA  H8  6  GUA  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 166, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 6  GUA  H8  6  GUA  H2'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 185, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 6  GUA  H8  6  GUA  H2'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 186, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 6  GUA  H8  6  GUA  H3'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 183, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 6  GUA  H8  6  GUA  H4'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 163, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 6  GUA  H8  6  GUA  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 160, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 6  GUA  H8  6  GUA  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 161, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 6  GUA  H1'  6  GUA  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 166, 185, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 6  GUA  H1'  6  GUA  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 166, 186, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 6  GUA  H3'  6  GUA  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 185, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 6  GUA  H3'  6  GUA  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 186, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 6  GUA  H3'  6  GUA  H5'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 160, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 6  GUA  H3'  6  GUA  H5'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 161, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 6  GUA  H3'  6  GUA  H4'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 163, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 7  ABB  H1'  7  ABB  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 205, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 7  ABB  H1'  7  ABB  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 206, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 7  ABB  H3'  7  ABB  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 205, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 7  ABB  H3'  7  ABB  H2'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 206, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 7  ABB  H3'  7  ABB  H4'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 196, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 7  ABB  H3'  7  ABB  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 193, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 7  ABB  H3'  7  ABB  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 194, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 7  ABB  H3'  8  ADE  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 222, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 7  ABB  H2'1  8  ADE  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 222, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 7  ABB  H2'2  8  ADE  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 222, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 7  ABB  H2'1  7  ABB  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 206, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 7  ABB  H3'  8  ADE  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 222, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 7  ABB  H5'1  8  ADE  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 222, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 7  ABB  H5'2  8  ADE  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 222, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 8  ADE  H8  8  ADE  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 219, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 8  ADE  H8  8  ADE  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 237, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 8  ADE  H8  8  ADE  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 238, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 8  ADE  H8  8  ADE  H3'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 235, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 8  ADE  H8  8  ADE  H4'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 216, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 8  ADE  H8  8  ADE  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 213, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 8  ADE  H8  8  ADE  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 214, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 8  ADE  H1'  8  ADE  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 237, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 8  ADE  H1'  8  ADE  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 238, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 8  ADE  H2'1  8  ADE  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 238, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 8  ADE  H3'  8  ADE  H2'1  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 237, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 8  ADE  H3'  8  ADE  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 238, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 8  ADE  H3'  8  ADE  H4'  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 216, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 8  ADE  H1'  9  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 254, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 8  ADE  H2'1  9  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 254, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 8  ADE  H2'2  9  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 254, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 8  ADE  H3'  9  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 254, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 8  ADE  H8  9  CYT  H5  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 256, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 9  CYT  H6  9  CYT  H1'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 251, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 9  CYT  H6  9  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 267, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 9  CYT  H6  9  CYT  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 268, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 9  CYT  H6  9  CYT  H3'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 265, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 9  CYT  H6  9  CYT  H4'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 248, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 9  CYT  H6  9  CYT  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 245, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 9  CYT  H6  9  CYT  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 246, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 9  CYT  H6  9  CYT  H5  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 256, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 9  CYT  H1'  9  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 267, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 9  CYT  H1'  9  CYT  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 268, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 9  CYT  H2'1  9  CYT  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 268, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 9  CYT  H3'  9  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 267, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 9  CYT  H3'  9  CYT  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 268, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 9  CYT  H3'  9  CYT  H4'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 248, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 9  CYT  H1'  10  CYT  H6  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 284, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 9  CYT  H2'1  10  CYT  H6  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 284, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 9  CYT  H2'2  10  CYT  H6  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 268, 284, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 9  CYT  H3'  10  CYT  H6  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 284, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 10  CYT  H6  10  CYT  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 281, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 10  CYT  H6  10  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 297, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 10  CYT  H6  10  CYT  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 298, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 10  CYT  H6  10  CYT  H3'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 295, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 10  CYT  H6  10  CYT  H4'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 278, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 10  CYT  H6  10  CYT  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 275, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 10  CYT  H6  10  CYT  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 276, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 10  CYT  H6  10  CYT  H5  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 286, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 10  CYT  H1'  10  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 297, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 10  CYT  H1'  10  CYT  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 298, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 10  CYT  H2'1  10  CYT  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 298, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 10  CYT  H3'  10  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 295, 297, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 10  CYT  H3'  10  CYT  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 295, 298, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 10  CYT  H3'  10  CYT  H4'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 295, 278, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 10  CYT  H1'  11  GUA  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 314, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 10  CYT  H2'1  11  GUA  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 314, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 11  GUA  H8  11  GUA  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 311, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 11  GUA  H8  11  GUA  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 330, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 11  GUA  H8  11  GUA  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 331, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 11  GUA  H8  11  GUA  H3'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 328, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 11  GUA  H8  11  GUA  H4'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 308, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 11  GUA  H8  11  GUA  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 305, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 11  GUA  H8  11  GUA  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 306, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 11  GUA  H1'  11  GUA  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 330, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 11  GUA  H1'  11  GUA  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 331, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 11  GUA  H3'  11  GUA  H2'1  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 330, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 11  GUA  H3'  11  GUA  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 331, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 11  GUA  H3'  11  GUA  H4'  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 308, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 11  GUA  H1'  12  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 347, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 11  GUA  H2'1  12  GUA  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 347, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 11  GUA  H2'2  12  GUA  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 347, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 11  GUA  H3'  12  GUA  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 347, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 12  GUA  H8  12  GUA  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 344, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 12  GUA  H8  12  GUA  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 363, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 12  GUA  H8  12  GUA  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 364, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 12  GUA  H8  12  GUA  H3'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 361, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 12  GUA  H8  12  GUA  H4'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 341, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 12  GUA  H8  12  GUA  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 338, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 12  GUA  H8  12  GUA  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 339, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 12  GUA  H1'  12  GUA  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 363, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 12  GUA  H1'  12  GUA  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 364, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 12  GUA  H2'1  12  GUA  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 364, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 12  GUA  H3'  12  GUA  H2'1  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 363, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 12  GUA  H3'  12  GUA  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 364, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 12  GUA  H4'  12  GUA  H2'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 363, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 12  GUA  H4'  12  GUA  H2'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 364, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 12  GUA  H3'  12  GUA  H4'  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 341, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 12  GUA  H1'  13  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 380, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 12  GUA  H2'1  13  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 380, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 12  GUA  H2'2  13  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 380, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 12  GUA  H3'  13  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 380, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 13  GUA  H8  13  GUA  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 377, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 13  GUA  H8  13  GUA  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 396, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 13  GUA  H8  13  GUA  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 397, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 13  GUA  H8  13  GUA  H3'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 394, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 13  GUA  H8  13  GUA  H4'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 374, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 13  GUA  H8  13  GUA  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 371, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 13  GUA  H8  13  GUA  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 372, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 13  GUA  H1'  13  GUA  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 396, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 13  GUA  H1'  13  GUA  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 397, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 13  GUA  H2'1  13  GUA  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 397, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 13  GUA  H3'  13  GUA  H2'1  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 394, 396, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 13  GUA  H3'  13  GUA  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 394, 397, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 13  GUA  H3'  13  GUA  H4'  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 394, 374, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 14  CYT  H6  14  CYT  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 409, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 14  CYT  H6  14  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 425, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 14  CYT  H6  14  CYT  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 426, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 14  CYT  H6  14  CYT  H3'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 423, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 14  CYT  H6  14  CYT  H4'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 406, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 14  CYT  H6  14  CYT  H5'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 403, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 14  CYT  H6  14  CYT  H5'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 404, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 14  CYT  H6  14  CYT  H5  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 414, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 14  CYT  H1'  14  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 425, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 14  CYT  H1'  14  CYT  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 426, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 14  CYT  H2'1  14  CYT  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 426, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 14  CYT  H3'  14  CYT  H2'1  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 425, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 14  CYT  H3'  14  CYT  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 426, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 14  CYT  H3'  14  CYT  H4'  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 406, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 14  CYT  H4'  14  CYT  H5'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 403, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 14  CYT  H4'  14  CYT  H5'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 404, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 14  CYT  H1'  15  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 442, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 14  CYT  H2'1  15  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 442, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 14  CYT  H2'2  15  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 442, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 14  CYT  H3'  15  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 442, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 15  CYT  H6  15  CYT  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 439, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 15  CYT  H6  15  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 455, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 15  CYT  H6  15  CYT  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 456, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 15  CYT  H6  15  CYT  H3'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 453, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 15  CYT  H6  15  CYT  H4'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 436, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 15  CYT  H6  15  CYT  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 433, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 15  CYT  H6  15  CYT  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 434, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 15  CYT  H6  15  CYT  H5  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 444, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 15  CYT  H1'  15  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 439, 455, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 15  CYT  H1'  15  CYT  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 439, 456, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 15  CYT  H2'1  15  CYT  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 456, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 15  CYT  H3'  15  CYT  H2'1  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 455, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 15  CYT  H3'  15  CYT  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 456, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 15  CYT  H3'  15  CYT  H4'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 436, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 15  CYT  H1'  16  CYT  H6  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 439, 472, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 15  CYT  H2'2  16  CYT  H6  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 472, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 15  CYT  H3'  16  CYT  H6  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 472, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 16  CYT  H6  16  CYT  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 469, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 16  CYT  H6  16  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 485, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 16  CYT  H6  16  CYT  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 486, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 16  CYT  H6  16  CYT  H3'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 483, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 16  CYT  H6  16  CYT  H4'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 466, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 16  CYT  H6  16  CYT  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 463, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 16  CYT  H6  16  CYT  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 464, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 16  CYT  H6  16  CYT  H5  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 474, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 16  CYT  H1'  16  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 485, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 16  CYT  H1'  16  CYT  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 486, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 16  CYT  H2'1  16  CYT  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 486, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 16  CYT  H3'  16  CYT  H2'1  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 485, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 16  CYT  H3'  16  CYT  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 486, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 16  CYT  H3'  16  CYT  H4'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 466, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 16  CYT  H2'1  17  GUA  H8 2.5   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 502, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 16  CYT  H2'2  17  GUA  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 502, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 16  CYT  H3'  17  GUA  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 502, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 17  GUA  H8  17  GUA  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 499, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 17  GUA  H8  17  GUA  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 518, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 17  GUA  H8  17  GUA  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 519, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 17  GUA  H8  17  GUA  H3'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 516, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 17  GUA  H8  17  GUA  H4'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 496, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 17  GUA  H8  17  GUA  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 493, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 17  GUA  H8  17  GUA  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 494, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 17  GUA  H1'  17  GUA  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 518, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 17  GUA  H1'  17  GUA  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 519, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 17  GUA  H3'  17  GUA  H2'1  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 518, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 17  GUA  H3'  17  GUA  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 519, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 17  GUA  H3'  17  GUA  H4'  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 496, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 17  GUA  H1'  18  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 535, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 17  GUA  H2'1  18  GUA  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 535, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 17  GUA  H2'2  18  GUA  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 535, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 18  GUA  H8  18  GUA  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 532, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 18  GUA  H8  18  GUA  H2'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 551, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 18  GUA  H8  18  GUA  H2'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 552, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 18  GUA  H8  18  GUA  H3'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 549, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 18  GUA  H8  18  GUA  H4'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 529, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 18  GUA  H8  18  GUA  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 526, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 18  GUA  H8  18  GUA  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 527, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 18  GUA  H1'  18  GUA  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 551, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 18  GUA  H1'  18  GUA  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 552, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 18  GUA  H2'1  18  GUA  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 552, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 18  GUA  H3'  18  GUA  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 551, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 18  GUA  H3'  18  GUA  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 552, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 18  GUA  H4'  18  GUA  H2'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 551, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 18  GUA  H4'  18  GUA  H2'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 552, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 18  GUA  H3'  18  GUA  H4'  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 529, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 18  GUA  H1'  19  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 568, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 18  GUA  H2'1  19  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 568, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 18  GUA  H2'2  19  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 568, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 18  GUA  H3'  19  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 568, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 18  GUA  H8  19  THY  H7   2.5 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 571, 572, 573,
 /
#
# 18  GUA  H2'1  19  THY  H7   2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 551,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 571, 572, 573,
 /
#
# 18  GUA  H2'2  19  THY  H7   2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 552,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 571, 572, 573,
 /
#
# 19  THY  H6  19  THY  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 565, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 19  THY  H6  19  THY  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 583, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 19  THY  H6  19  THY  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 584, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 19  THY  H6  19  THY  H3'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 581, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 19  THY  H6  19  THY  H4'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 562, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 19  THY  H6  19  THY  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 559, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 19  THY  H6  19  THY  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 560, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 19  THY  H6  19  THY  H7   2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 568,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 571, 572, 573,
 /
#
# 19  THY  H1'  19  THY  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 583, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 19  THY  H1'  19  THY  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 584, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 19  THY  H2'1  19  THY  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 584, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 19  THY  H2'1  19  THY  H7   2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 583,  -1, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr2= 571, 572, 573,
 /
#
# 19  THY  H3'  19  THY  H7   2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr2= 571, 572, 573,
 /
#
# 19  THY  H3'  19  THY  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 583, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 19  THY  H3'  19  THY  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 584, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 19  THY  H3'  19  THY  H4'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 562, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 19  THY  H1'  20  ADE  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 600, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 19  THY  H2'1  20  ADE  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 600, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 19  THY  H2'2  20  ADE  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 600, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 20  ADE  H8  20  ADE  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 597, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 20  ADE  H8  20  ADE  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 615, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 20  ADE  H8  20  ADE  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 616, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 20  ADE  H8  20  ADE  H3'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 613, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 20  ADE  H8  20  ADE  H4'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 594, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 20  ADE  H8  20  ADE  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 591, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 20  ADE  H8  20  ADE  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 592, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 20  ADE  H1'  20  ADE  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 615, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 20  ADE  H1'  20  ADE  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 616, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 20  ADE  H2'1  20  ADE  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 615, 616, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 20  ADE  H3'  20  ADE  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 615, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 20  ADE  H3'  20  ADE  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 616, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 20  ADE  H3'  20  ADE  H4'  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 594, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 20  ADE  H1'  21  CYT  H6  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 632, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 20  ADE  H2'1  21  CYT  H6  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 615, 632, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 20  ADE  H2'2  21  CYT  H6  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 632, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 20  ADE  H3'  21  CYT  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 632, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 20  ADE  H8  21  CYT  H5  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 634, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 21  CYT  H6  21  CYT  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 629, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 21  CYT  H6  21  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 645, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 21  CYT  H6  21  CYT  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 646, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 21  CYT  H6  21  CYT  H3'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 643, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 21  CYT  H6  21  CYT  H4'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 626, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 21  CYT  H6  21  CYT  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 623, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 21  CYT  H6  21  CYT  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 624, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 21  CYT  H6  21  CYT  H5  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 634, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 21  CYT  H1'  21  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 645, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 21  CYT  H1'  21  CYT  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 646, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 21  CYT  H2'1  21  CYT  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 646, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 21  CYT  H3'  21  CYT  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 645, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 21  CYT  H3'  21  CYT  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 646, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 21  CYT  H3'  21  CYT  H4'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 626, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 21  CYT  H1'  22  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 662, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 21  CYT  H2'1  22  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 662, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 21  CYT  H2'2  22  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 646, 662, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 21  CYT  H3'  22  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 662, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 21  CYT  H6  22  THY  H7   2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 632,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 665, 666, 667,
 /
#
# 21  CYT  H2'1  22  THY  H7   2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 645,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 665, 666, 667,
 /
#
# 21  CYT  H2'2  22  THY  H7   2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 646,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 665, 666, 667,
 /
#
# 22  THY  H6  22  THY  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 659, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 22  THY  H6  22  THY  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 677, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 22  THY  H6  22  THY  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 678, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 22  THY  H6  22  THY  H3'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 675, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 22  THY  H6  22  THY  H4'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 656, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 22  THY  H6  22  THY  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 653, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 22  THY  H6  22  THY  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 654, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 22  THY  H6  22  THY  H7   2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 662,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 665, 666, 667,
 /
#
# 22  THY  H1'  22  THY  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 677, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 22  THY  H1'  22  THY  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 678, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 22  THY  H2'1  22  THY  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 677, 678, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 
22  THY  H2'1  22  THY  H7   2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 677,  -1, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr2= 665, 666, 667,
 /
#
# 22  THY  H3'  22  THY  H7   2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 675,  -1, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr2= 665, 666, 667,
 /
#
# 22  THY  H3'  22  THY  H2'1  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 677, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 22  THY  H3'  22  THY  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 678, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 22  THY  H3'  22  THY  H4'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 656, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 22  THY  H1'  23  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 694, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 22  THY  H2'1  23  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 677, 694, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 22  THY  H2'2  23  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 694, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 22  THY  H3'  23  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 694, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 22  THY  H6  23  THY  H7   2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 662,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 697, 698, 699,
 /
#
# 22  THY  H2'1  23  THY  H7   2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 677,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 697, 698, 699,
 /
#
# 22  THY  H2'2  23  THY  H7   2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 678,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 697, 698, 699,
 /
#
# 23  THY  H6  23  THY  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 691, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 23  THY  H6  23  THY  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 709, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 23  THY  H6  23  THY  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 710, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 23  THY  H6  23  THY  H3'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 707, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 23  THY  H6  23  THY  H4'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 688, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 23  THY  H6  23  THY  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 685, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 23  THY  H6  23  THY  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 686, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 23  THY  H6  23  THY  H7   2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 694,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 697, 698, 699,
 /
#
# 23  THY  H1'  23  THY  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 709, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 23  THY  H1'  23  THY  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 710, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 23  THY  H2'1  23  THY  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 709, 710, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 23  THY  H2'1  23  THY  H7   2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 709,  -1, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr2= 697, 698, 699,
 /
#
# 23  THY  H2'2  23  THY  H7   2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr2= 697, 698, 699,
 /
#
# 23  THY  H3'  23  THY  H7   2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 707,  -1, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr2= 697, 698, 699,
 /
#
# 23  THY  H3'  23  THY  H2'1  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 709, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 23  THY  H3'  23  THY  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 710, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 23  THY  H3'  23  THY  H4'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 688, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 23  THY  H1'  24  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 726, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 23  THY  H2'1  24  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 709, 726, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 23  THY  H2'2  24  THY  H6  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 726, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 23  THY  H3'  24  THY  H6  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 726, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 23  THY  H6  24  THY  H7   2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 694,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 729, 730, 731,
 /
#
# 23  THY  H2'1  24  THY  H7   2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 709,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 729, 730, 731,
 /
#
# 23  THY  H2'2  24  THY  H7   2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 729, 730, 731,
 /
#
# 24  THY  H6  24  THY  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 723, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 24  THY  H6  24  THY  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 741, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 24  THY  H6  24  THY  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 742, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 24  THY  H6  24  THY  H3'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 739, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 24  THY  H6  24  THY  H4'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 720, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 24  THY  H6  24  THY  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 717, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 24  THY  H6  24  THY  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 718, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 24  THY  H6  24  THY  H7   2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 726,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 729, 730, 731,
 /
#
# 24  THY  H1'  24  THY  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 741, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 24  THY  H1'  24  THY  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 742, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 24  THY  H2'1  24  THY  H7   2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 741,  -1, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr2= 729, 730, 731,
 /
#
# 24  THY  H2'2  24  THY  H7   2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 742,  -1, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr2= 729, 730, 731,
 /
#
# 24  THY  H2'1  24  THY  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 742, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 24  THY  H3'  24  THY  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 739, 741, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 24  THY  H3'  24  THY  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 739, 742, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 24  THY  H3'  24  THY  H4'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 739, 720, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 24  THY  H1'  25  GUA  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 758, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 24  THY  H2'1  25  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 758, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 24  THY  H2'2  25  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 742, 758, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 24  THY  H3'  25  GUA  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 739, 758, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 25  GUA  H8  25  GUA  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 755, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 25  GUA  H8  25  GUA  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 774, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 25  GUA  H8  25  GUA  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 775, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 25  GUA  H8  25  GUA  H3'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 772, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 25  GUA  H8  25  GUA  H4'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 752, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 25  GUA  H8  25  GUA  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 749, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 25  GUA  H8  25  GUA  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 750, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 25  GUA  H1'  25  GUA  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 774, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 25  GUA  H1'  25  GUA  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 775, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 25  GUA  H3'  25  GUA  H2'1  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 774, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 25  GUA  H3'  25  GUA  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 775, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 25  GUA  H4'  25  GUA  H2'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 752, 774, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 25  GUA  H4'  25  GUA  H2'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 752, 775, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 25  GUA  H3'  25  GUA  H4'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 752, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 25  GUA  H1'  26  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 791, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 25  GUA  H2'  26  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 791, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 25  GUA  H2'2  26  GUA  H8  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 791, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 25  GUA  H3'  26  GUA  H8  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 791, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 26  GUA  H8  26  GUA  H1'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 788, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 26  GUA  H8  26  GUA  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 807, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 26  GUA  H8  26  GUA  H2'2  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 808, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 26  GUA  H8  26  GUA  H3'  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 805, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 26  GUA  H8  26  GUA  H4'  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 785, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 26  GUA  H8  26  GUA  H5'1  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 782, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 26  GUA  H8  26  GUA  H5'2  2.5  5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 783, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
# 26  GUA  H1'  26  GUA  H2'1  2.5  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 788, 807, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 26  GUA  H1'  26  GUA  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 788, 808, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 26  GUA  H2'1  26  GUA  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 808, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 26  GUA  H3'  26  GUA  H2'1  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 807, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 26  GUA  H3'  26  GUA  H2'2  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 808, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
#
# 26  GUA  H3'  26  GUA  H4'  1.5  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 785, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  /
# 810 atoms read from pdb file gxac_ab_beta_amber.pdb.
# 1 CYT NU7:  (1 DC5 H1')-(1 DC5 C1')-(1 DC5 C2')-(1 DC5 H2'1) 125.0 175.0
 &rst     iat =    10,     9,    25,    26,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
   rk2 =   200.0, rk3 =   200.0,    /

# 2 CYT NU7:  (2 DC H1')-(2 DC C1')-(2 DC C2')-(2 DC H2'1) 125.0 175.0
 &rst     iat =    40,    39,    55,    56,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /

# 3 ADE NU7:  (3 DA H1')-(3 DA C1')-(3 DA C2')-(3 DA H2'1) 125.0 175.0
 &rst     iat =    70,    69,    87,    88,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /

# 4 ADE NU7:  (4 DA H1')-(4 DA C1')-(4 DA C2')-(4 DA H2'1) 125.0 175.0
 &rst     iat =   102,   101,   119,   120,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /

# 5 ADE NU7:  (5 DA H1')-(5 DA C1')-(5 DA C2')-(5 DA H2'1) 125.0 175.0
 &rst     iat =   134,   133,   151,   152,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /

# 8 ADE NU7:  (8 DA H1')-(8 DA C1')-(8 DA C2')-(8 DA H2'1) 125.0 175.0
 &rst     iat =   219,   218,   236,   237,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /

# 9 CYT NU7:  (9 DC H1')-(9 DC C1')-(9 DC C2')-(9 DC H2'1) 125.0 175.0
 &rst     iat =   251,   250,   266,   267,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /

# 10 CYT NU7:  (10 DC H1')-(10 DC C1')-(10 DC C2')-(10 DC H2'1) 125.0 175.0
 &rst     iat =   281,   280,   296,   297,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /

# 11 GUA NU7:  (11 DG H1')-(11 DG C1')-(11 DG C2')-(11 DG H2'1) 125.0 175.0
 &rst     iat =   311,   310,   329,   330,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /

# 12 GUA NU7:  (12 DG H1')-(12 DG C1')-(12 DG C2')-(12 DG H2'1) 125.0 175.0
 &rst     iat =   344,   343,   362,   363,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /

# 13 GUA NU7:  (13 DG3 H1')-(13 DG3 C1')-(13 DG3 C2')-(13 DG3 H2'1) 125.0 175.0
 &rst     iat =   377,   376,   395,   396,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /

# 14 CYT NU7:  (14 DC5 H1')-(14 DC5 C1')-(14 DC5 C2')-(14 DC5 H2'1) 125.0 175.0
 &rst     iat =   409,   408,   424,   425,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /

# 15 CYT NU7:  (15 DC H1')-(15 DC C1')-(15 DC C2')-(15 DC H2'1) 125.0 175.0
 &rst     iat =   439,   438,   454,   455,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /

# 16 CYT NU7:  (16 DC H1')-(16 DC C1')-(16 DC C2')-(16 DC H2'1) 125.0 175.0
 &rst     iat =   469,   468,   484,   485,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /

# 17 GUA NU7:  (17 DG H1')-(17 DG C1')-(17 DG C2')-(17 DG H2'1) 125.0 175.0
 &rst     iat =   499,   498,   517,   518,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /

# 18 GUA NU7:  (18 DG H1')-(18 DG C1')-(18 DG C2')-(18 DG H2'1) 125.0 175.0
 &rst     iat =   532,   531,   550,   551,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /

# 19 THY NU7:  (19 DT H1')-(19 DT C1')-(19 DT C2')-(19 DT H2'1) 125.0 175.0
 &rst     iat =   565,   564,   582,   583,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /

# 20 ADE NU7:  (20 DA H1')-(20 DA C1')-(20 DA C2')-(20 DA H2'1) 125.0 175.0
 &rst     iat =   597,   596,   614,   615,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /

# 22 THY NU7:  (22 DT H1')-(22 DT C1')-(22 DT C2')-(22 DT H2'1) 125.0 175.0
 &rst     iat =   659,   658,   676,   677,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /

# 23 THY NU7:  (23 DT H1')-(23 DT C1')-(23 DT C2')-(23 DT H2'1) 125.0 175.0
 &rst     iat =   691,   690,   708,   709,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /

# 24 THY NU7:  (24 DT H1')-(24 DT C1')-(24 DT C2')-(24 DT H2'1) 125.0 175.0
 &rst     iat =   723,   722,   740,   741,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /

# 25 GUA NU7:  (25 DG H1')-(25 DG C1')-(25 DG C2')-(25 DG H2'1) 125.0 175.0
 &rst     iat =   755,   754,   773,   774,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /

# 26 GUA NU7:  (26 DG3 H1')-(26 DG3 C1')-(26 DG3 C2')-(26 DG3 H2'1) 125.0 175.0
 &rst     iat =   788,   787,   806,   807,
   r1 = 124.0, r2 = 125.0, r3 = 175.0, r4 = 176.0,
 /

# 1 CYT NU9:  (1 DC5 H1')-(1 DC5 C1')-(1 DC5 C2')-(1 DC5 H2'2)  20.0  40.0
 &rst     iat =    10,     9,    25,    27,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /

# 2 CYT NU9:  (2 DC H1')-(2 DC C1')-(2 DC C2')-(2 DC H2'2)  20.0  40.0
 &rst     iat =    40,    39,    55,    57,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /

# 3 ADE NU9:  (3 DA H1')-(3 DA C1')-(3 DA C2')-(3 DA H2'2)  20.0  40.0
 &rst     iat =    70,    69,    87,    89,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /

# 4 ADE NU9:  (4 DA H1')-(4 DA C1')-(4 DA C2')-(4 DA H2'2)  20.0  40.0
 &rst     iat =   102,   101,   119,   121,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /

# 8 ADE NU9:  (8 DA H1')-(8 DA C1')-(8 DA C2')-(8 DA H2'2)  20.0  40.0
 &rst     iat =   219,   218,   236,   238,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /

# 9 CYT NU9:  (9 DC H1')-(9 DC C1')-(9 DC C2')-(9 DC H2'2)  20.0  40.0
 &rst     iat =   251,   250,   266,   268,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /

# 10 CYT NU9:  (10 DC H1')-(10 DC C1')-(10 DC C2')-(10 DC H2'2)  20.0  40.0
 &rst     iat =   281,   280,   296,   298,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /

# 11 GUA NU9:  (11 DG H1')-(11 DG C1')-(11 DG C2')-(11 DG H2'2)  20.0  40.0
 &rst     iat =   311,   310,   329,   331,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /

# 12 GUA NU9:  (12 DG H1')-(12 DG C1')-(12 DG C2')-(12 DG H2'2)  20.0  40.0
 &rst     iat =   344,   343,   362,   364,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /

# 13 GUA NU9:  (13 DG3 H1')-(13 DG3 C1')-(13 DG3 C2')-(13 DG3 H2'2)  20.0  40.0
 &rst     iat =   377,   376,   395,   397,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /

# 14 CYT NU9:  (14 DC5 H1')-(14 DC5 C1')-(14 DC5 C2')-(14 DC5 H2'2)  20.0  40.0
 &rst     iat =   409,   408,   424,   426,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /

# 15 CYT NU9:  (15 DC H1')-(15 DC C1')-(15 DC C2')-(15 DC H2'2)  20.0  40.0
 &rst     iat =   439,   438,   454,   456,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /

# 16 CYT NU9:  (16 DC H1')-(16 DC C1')-(16 DC C2')-(16 DC H2'2)  20.0  40.0
 &rst     iat =   469,   468,   484,   486,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /

# 18 GUA NU9:  (18 DG H1')-(18 DG C1')-(18 DG C2')-(18 DG H2'2)  20.0  40.0
 &rst     iat =   532,   531,   550,   552,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /

# 19 THY NU9:  (19 DT H1')-(19 DT C1')-(19 DT C2')-(19 DT H2'2)  20.0  40.0
 &rst     iat =   565,   564,   582,   584,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /

# 20 ADE NU9:  (20 DA H1')-(20 DA C1')-(20 DA C2')-(20 DA H2'2)  20.0  40.0
 &rst     iat =   597,   596,   614,   616,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /

# 21 CYT NU9:  (21 DC H1')-(21 DC C1')-(21 DC C2')-(21 DC H2'2)  20.0  40.0
 &rst     iat =   629,   628,   644,   646,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /

# 22 THY NU9:  (22 DT H1')-(22 DT C1')-(22 DT C2')-(22 DT H2'2)  20.0  40.0
 &rst     iat =   659,   658,   676,   678,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /

# 23 THY NU9:  (23 DT H1')-(23 DT C1')-(23 DT C2')-(23 DT H2'2)  20.0  40.0
 &rst     iat =   691,   690,   708,   710,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /

# 24 THY NU9:  (24 DT H1')-(24 DT C1')-(24 DT C2')-(24 DT H2'2)  20.0  40.0
 &rst     iat =   723,   722,   740,   742,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /

# 25 GUA NU9:  (25 DG H1')-(25 DG C1')-(25 DG C2')-(25 DG H2'2)  20.0  40.0
 &rst     iat =   755,   754,   773,   775,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /

# 26 GUA NU9:  (26 DG3 H1')-(26 DG3 C1')-(26 DG3 C2')-(26 DG3 H2'2)  20.0  40.0
 &rst     iat =   788,   787,   806,   808,
   r1 =  19.0, r2 =  20.0, r3 =  40.0, r4 =  41.0,
 /

# 7 ABB NU7:  (7 ABB H1')-(7 ABB C1')-(7 ABB C2')-(7 ABB H2'1) 120.0 180.0
 &rst     iat =   201,   198,   204,   205,
   r1 =  119.0, r2 = 120.0, r3 = 180.0, r4 = 181.0,
 /

# 7 ABB NU9:  (7 ABB H1')-(7 ABB C1')-(7 ABB C2')-(7 ABB H2'2)  10.0  50.0
 &rst     iat =   201,   198,   204,   206,
   r1 =   9.0, r2 =  10.0, r3 =  50.0, r4 =  51.0,
 /

# 7 ABB NU6:  (7 ABB H3')-(7 ABB C3')-(7 ABB C2')-(7 ABB H2'1) 240.0 300.0
 &rst     iat =   203,   202,   204,   205,
   r1 = 239.0, r2 = 240.0, r3 = 300.0, r4 = 301.0,
 /

# 7 ABB NU8:  (7 ABB H3')-(7 ABB C3')-(7 ABB C2')-(7 ABB H2'2)  80.0 150.0
 &rst     iat =   203,   202,   204,   206,
   r1 =  79.0, r2 =  80.0, r3 = 150.0, r4 = 151.0,
 /

#
# 1 CYT H42 26 GUA O6 1.8 2
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 795, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, 
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 /
#
# 1 CYT N3 26 GUA H1 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  20, 797, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 1 CYT N3 26 GUA N1 2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  20, 796, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
# 1 CYT N4 26 GUA O6 2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  17, 795, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
# 1 CYT O2 26 GUA H22 1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat=  22, 801, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
# 2 CYT H42 25 GUA O6 1.8 2
 &rst
  ixpk= 0, nxpk= 0, iat=  49, 762, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
# 2 CYT N3 25 GUA H1 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 764, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 2 CYT N3 25 GUA N1 2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 763, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
# 2 CYT N4 25 GUA O6 2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  47, 762, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
# 2 CYT O2 25 GUA H22 1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 768, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
# 3 ADE H61 24 THY O4 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 733, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 3 ADE N1 24 THY H3 1.71 1.91
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 735, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  /
#
# 3 ADE N1 24 THY N3 2.72 2.92
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 734, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  /
#
# 4 ADE H61 23 THY O4 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 701, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 4 ADE N1 23 THY H3 1.71 1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 703, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  /
#
# 4 ADE N1 23 THY N3 2.72 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 702, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  /
#
# 5 ADE H61 22 THY O4 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 669, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 5 ADE N1 22 THY H3 1.71 1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 671, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  /
#
# 5 ADE N1 22 THY N3 2.72 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 670, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  /
#
# 6 GUA H1 21 CYT N3 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 639, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 6 GUA H22 21 CYT O2 1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 641, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
# 6 GUA N1 21 CYT N3 2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 639, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
# 6 GUA O6 21 CYT H42 1.8 2
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 638, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
# 6 GUA O6 21 CYT N4 2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 636, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
# 8 ADE H61 19 THY O4 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 575, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 8 ADE N1 19 THY H3 1.71 1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 577, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  /
#
# 8 ADE N1 19 THY N3 2.72 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 576, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  /
#
# 9 CYT H42 18 GUA O6 1.8 2
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 539, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
# 9 CYT N3 18 GUA H1 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 541, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 9 CYT N3 18 GUA N1 2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 540, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
# 9 CYT N4 18 GUA O6 2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 539, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
# 9 CYT O2 18 GUA H22 1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 545, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
# 10 CYT H42 17 GUA O6 1.8 2
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 506, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
# 10 CYT N3 17 GUA H1 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 508, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 10 CYT N3 17 GUA N1 2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 507, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
# 10 CYT N4 17 GUA O6 2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 506, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
# 10 CYT O2 17 GUA H22 1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 512, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
# 11 GUA H1 16 CYT N3 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 479, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 11 GUA H22 16 CYT O2 1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 481, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
# 11 GUA N1 16 CYT N3 2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 479, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
# 11 GUA O6 16 CYT H42 1.8 2
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 478, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
# 11 GUA O6 16 CYT N4 2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 476, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
# 12 GUA H1 15 CYT N3 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 449, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 12 GUA H22 15 CYT O2 1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 451, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
# 12 GUA N1 15 CYT N3 2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 449, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
# 12 GUA O6 15 CYT H42 1.8 2
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 448, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
# 12 GUA O6 15 CYT N4 2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 446, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
# 13 GUA H1 14 CYT N3 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 419, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 13 GUA H22 14 CYT O2 1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 421, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
# 13 GUA N1 14 CYT N3 2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 419, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
# 13 GUA O6 14 CYT H42 1.8 2
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 418, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
# 13 GUA O6 14 CYT N4 2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 416, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /


#
#  chirality for residue 1 atoms:  C2' O4' N1 H1'
 &rst iat=25,8,11,10, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10.,  /
#
#  chirality for residue 1 atoms:  C3' C1' H2'1 H2'2
 &rst iat=23,9,26,27, /
#
#  chirality for residue 1 atoms:  O3' C2' C4' H3'
 &rst iat=28,25,6,24, /
#
#  chirality for residue 1 atoms:  C3' C5' O4' H4'
 &rst iat=23,3,8,7, /
#
#  chirality for residue 1 atoms:  C4' O5' H5'1 H5'2
 &rst iat=6,2,4,5, /
#
#  chirality for residue 2 atoms:  C2' O4' N1 H1'
 &rst iat=55,38,41,40, /
#
#  chirality for residue 2 atoms:  C3' C1' H2'1 H2'2
 &rst iat=53,39,56,57, /
#
#  chirality for residue 2 atoms:  O3' C2' C4' H3'
 &rst iat=58,55,36,54, /
#
#  chirality for residue 2 atoms:  C3' C5' O4' H4'
 &rst iat=53,33,38,37, /
#
#  chirality for residue 2 atoms:  C4' O5' H5'1 H5'2
 &rst iat=36,32,34,35, /
#
#  chirality for residue 3 atoms:  C2' O4' N9 H1'
 &rst iat=87,68,71,70, /
#
#  chirality for residue 3 atoms:  C3' C1' H2'1 H2'2
 &rst iat=85,69,88,89, /
#
#  chirality for residue 3 atoms:  O3' C2' C4' H3'
 &rst iat=90,87,66,86, /
#
#  chirality for residue 3 atoms:  C3' C5' O4' H4'
 &rst iat=85,63,68,67, /
#
#  chirality for residue 3 atoms:  C4' O5' H5'1 H5'2
 &rst iat=66,62,64,65, /
#
#  chirality for residue 4 atoms:  C2' O4' N9 H1'
 &rst iat=119,100,103,102, /
#
#  chirality for residue 4 atoms:  C3' C1' H2'1 H2'2
 &rst iat=117,101,120,121, /
#
#  chirality for residue 4 atoms:  O3' C2' C4' H3'
 &rst iat=122,119,98,118, /
#
#  chirality for residue 4 atoms:  C3' C5' O4' H4'
 &rst iat=117,95,100,99, /
#
#  chirality for residue 4 atoms:  C4' O5' H5'1 H5'2
 &rst iat=98,94,96,97, /
#
#  chirality for residue 5 atoms:  C2' O4' N9 H1'
 &rst iat=151,132,135,134, /
#
#  chirality for residue 5 atoms:  C3' C1' H2'1 H2'2
 &rst iat=149,133,152,153, /
#
#  chirality for residue 5 atoms:  O3' C2' C4' H3'
 &rst iat=154,151,130,150, /
#
#  chirality for residue 5 atoms:  C3' C5' O4' H4'
 &rst iat=149,127,132,131, /
#
#  chirality for residue 5 atoms:  C4' O5' H5'1 H5'2
 &rst iat=130,126,128,129, /
#
#  chirality for residue 6 atoms:  C2' O4' N9 H1'
 &rst iat=184,164,167,166, /
#
#  chirality for residue 6 atoms:  C3' C1' H2'1 H2'2
 &rst iat=182,165,185,186, /
#
#  chirality for residue 6 atoms:  O3' C2' C4' H3'
 &rst iat=187,184,162,183, /
#
#  chirality for residue 6 atoms:  C3' C5' O4' H4'
 &rst iat=182,159,164,163, /
#
#  chirality for residue 6 atoms:  C4' O5' H5'1 H5'2
 &rst iat=162,158,160,161, /
#
#  chirality for residue 8 atoms:  C2' O4' N9 H1'
 &rst iat=236,217,220,219, /
#
#  chirality for residue 8 atoms:  C3' C1' H2'1 H2'2
 &rst iat=234,218,237,238, /
#
#  chirality for residue 8 atoms:  O3' C2' C4' H3'
 &rst iat=239,236,215,235, /
#
#  chirality for residue 8 atoms:  C3' C5' O4' H4'
 &rst iat=234,212,217,216, /
#
#  chirality for residue 8 atoms:  C4' O5' H5'1 H5'2
 &rst iat=215,211,213,214, /
#
#  chirality for residue 9 atoms:  C2' O4' N1 H1'
 &rst iat=266,249,252,251, /
#
#  chirality for residue 9 atoms:  C3' C1' H2'1 H2'2
 &rst iat=264,250,267,268, /
#
#  chirality for residue 9 atoms:  O3' C2' C4' H3'
 &rst iat=269,266,247,265, /
#
#  chirality for residue 9 atoms:  C3' C5' O4' H4'
 &rst iat=264,244,249,248, /
#
#  chirality for residue 9 atoms:  C4' O5' H5'1 H5'2
 &rst iat=247,243,245,246, /
#
#  chirality for residue 10 atoms:  C2' O4' N1 H1'
 &rst iat=296,279,282,281, /
#
#  chirality for residue 10 atoms:  C3' C1' H2'1 H2'2
 &rst iat=294,280,297,298, /
#
#  chirality for residue 10 atoms:  O3' C2' C4' H3'
 &rst iat=299,296,277,295, /
#
#  chirality for residue 10 atoms:  C3' C5' O4' H4'
 &rst iat=294,274,279,278, /
#
#  chirality for residue 10 atoms:  C4' O5' H5'1 H5'2
 &rst iat=277,273,275,276, /
#
#  chirality for residue 11 atoms:  C2' O4' N9 H1'
 &rst iat=329,309,312,311, /
#
#  chirality for residue 11 atoms:  C3' C1' H2'1 H2'2
 &rst iat=327,310,330,331, /
#
#  chirality for residue 11 atoms:  O3' C2' C4' H3'
 &rst iat=332,329,307,328, /
#
#  chirality for residue 11 atoms:  C3' C5' O4' H4'
 &rst iat=327,304,309,308, /
#
#  chirality for residue 11 atoms:  C4' O5' H5'1 H5'2
 &rst iat=307,303,305,306, /
#
#  chirality for residue 12 atoms:  C2' O4' N9 H1'
 &rst iat=362,342,345,344, /
#
#  chirality for residue 12 atoms:  C3' C1' H2'1 H2'2
 &rst iat=360,343,363,364, /
#
#  chirality for residue 12 atoms:  O3' C2' C4' H3'
 &rst iat=365,362,340,361, /
#
#  chirality for residue 12 atoms:  C3' C5' O4' H4'
 &rst iat=360,337,342,341, /
#
#  chirality for residue 12 atoms:  C4' O5' H5'1 H5'2
 &rst iat=340,336,338,339, /
#
#  chirality for residue 13 atoms:  C2' O4' N9 H1'
 &rst iat=395,375,378,377, /
#
#  chirality for residue 13 atoms:  C3' C1' H2'1 H2'2
 &rst iat=393,376,396,397, /
#
#  chirality for residue 13 atoms:  O3' C2' C4' H3'
 &rst iat=398,395,373,394, /
#
#  chirality for residue 13 atoms:  C3' C5' O4' H4'
 &rst iat=393,370,375,374, /
#
#  chirality for residue 13 atoms:  C4' O5' H5'1 H5'2
 &rst iat=373,369,371,372, /
#
#  chirality for residue 14 atoms:  C2' O4' N1 H1'
 &rst iat=424,407,410,409, /
#
#  chirality for residue 14 atoms:  C3' C1' H2'1 H2'2
 &rst iat=422,408,425,426, /
#
#  chirality for residue 14 atoms:  O3' C2' C4' H3'
 &rst iat=427,424,405,423, /
#
#  chirality for residue 14 atoms:  C3' C5' O4' H4'
 &rst iat=422,402,407,406, /
#
#  chirality for residue 14 atoms:  C4' O5' H5'1 H5'2
 &rst iat=405,401,403,404, /
#
#  chirality for residue 15 atoms:  C2' O4' N1 H1'
 &rst iat=454,437,440,439, /
#
#  chirality for residue 15 atoms:  C3' C1' H2'1 H2'2
 &rst iat=452,438,455,456, /
#
#  chirality for residue 15 atoms:  O3' C2' C4' H3'
 &rst iat=457,454,435,453, /
#
#  chirality for residue 15 atoms:  C3' C5' O4' H4'
 &rst iat=452,432,437,436, /
#
#  chirality for residue 15 atoms:  C4' O5' H5'1 H5'2
 &rst iat=435,431,433,434, /
#
#  chirality for residue 16 atoms:  C2' O4' N1 H1'
 &rst iat=484,467,470,469, /
#
#  chirality for residue 16 atoms:  C3' C1' H2'1 H2'2
 &rst iat=482,468,485,486, /
#
#  chirality for residue 16 atoms:  O3' C2' C4' H3'
 &rst iat=487,484,465,483, /
#
#  chirality for residue 16 atoms:  C3' C5' O4' H4'
 &rst iat=482,462,467,466, /
#
#  chirality for residue 16 atoms:  C4' O5' H5'1 H5'2
 &rst iat=465,461,463,464, /
#
#  chirality for residue 17 atoms:  C2' O4' N9 H1'
 &rst iat=517,497,500,499, /
#
#  chirality for residue 17 atoms:  C3' C1' H2'1 H2'2
 &rst iat=515,498,518,519, /
#
#  chirality for residue 17 atoms:  O3' C2' C4' H3'
 &rst iat=520,517,495,516, /
#
#  chirality for residue 17 atoms:  C3' C5' O4' H4'
 &rst iat=515,492,497,496, /
#
#  chirality for residue 17 atoms:  C4' O5' H5'1 H5'2
 &rst iat=495,491,493,494, /
#
#  chirality for residue 18 atoms:  C2' O4' N9 H1'
 &rst iat=550,530,533,532, /
#
#  chirality for residue 18 atoms:  C3' C1' H2'1 H2'2
 &rst iat=548,531,551,552, /
#
#  chirality for residue 18 atoms:  O3' C2' C4' H3'
 &rst iat=553,550,528,549, /
#
#  chirality for residue 18 atoms:  C3' C5' O4' H4'
 &rst iat=548,525,530,529, /
#
#  chirality for residue 18 atoms:  C4' O5' H5'1 H5'2
 &rst iat=528,524,526,527, /
#
#  chirality for residue 19 atoms:  C2' O4' N1 H1'
 &rst iat=582,563,566,565, /
#
#  chirality for residue 19 atoms:  C3' C1' H2'1 H2'2
 &rst iat=580,564,583,584, /
#
#  chirality for residue 19 atoms:  O3' C2' C4' H3'
 &rst iat=585,582,561,581, /
#
#  chirality for residue 19 atoms:  C3' C5' O4' H4'
 &rst iat=580,558,563,562, /
#
#  chirality for residue 19 atoms:  C4' O5' H5'1 H5'2
 &rst iat=561,557,559,560, /
#
#  chirality for residue 20 atoms:  C2' O4' N9 H1'
 &rst iat=614,595,598,597, /
#
#  chirality for residue 20 atoms:  C3' C1' H2'1 H2'2
 &rst iat=612,596,615,616, /
#
#  chirality for residue 20 atoms:  O3' C2' C4' H3'
 &rst iat=617,614,593,613, /
#
#  chirality for residue 20 atoms:  C3' C5' O4' H4'
 &rst iat=612,590,595,594, /
#
#  chirality for residue 20 atoms:  C4' O5' H5'1 H5'2
 &rst iat=593,589,591,592, /
#
#  chirality for residue 21 atoms:  C2' O4' N1 H1'
 &rst iat=644,627,630,629, /
#
#  chirality for residue 21 atoms:  C3' C1' H2'1 H2'2
 &rst iat=642,628,645,646, /
#
#  chirality for residue 21 atoms:  O3' C2' C4' H3'
 &rst iat=647,644,625,643, /
#
#  chirality for residue 21 atoms:  C3' C5' O4' H4'
 &rst iat=642,622,627,626, /
#
#  chirality for residue 21 atoms:  C4' O5' H5'1 H5'2
 &rst iat=625,621,623,624, /
#
#  chirality for residue 22 atoms:  C2' O4' N1 H1'
 &rst iat=676,657,660,659, /
#
#  chirality for residue 22 atoms:  C3' C1' H2'1 H2'2
 &rst iat=674,658,677,678, /
#
#  chirality for residue 22 atoms:  O3' C2' C4' H3'
 &rst iat=679,676,655,675, /
#
#  chirality for residue 22 atoms:  C3' C5' O4' H4'
 &rst iat=674,652,657,656, /
#
#  chirality for residue 22 atoms:  C4' O5' H5'1 H5'2
 &rst iat=655,651,653,654, /
#
#  chirality for residue 23 atoms:  C2' O4' N1 H1'
 &rst iat=708,689,692,691, /
#
#  chirality for residue 23 atoms:  C3' C1' H2'1 H2'2
 &rst iat=706,690,709,710, /
#
#  chirality for residue 23 atoms:  O3' C2' C4' H3'
 &rst iat=711,708,687,707, /
#
#  chirality for residue 23 atoms:  C3' C5' O4' H4'
 &rst iat=706,684,689,688, /
#
#  chirality for residue 23 atoms:  C4' O5' H5'1 H5'2
 &rst iat=687,683,685,686, /
#
#  chirality for residue 24 atoms:  C2' O4' N1 H1'
 &rst iat=740,721,724,723, /
#
#  chirality for residue 24 atoms:  C3' C1' H2'1 H2'2
 &rst iat=738,722,741,742, /
#
#  chirality for residue 24 atoms:  O3' C2' C4' H3'
 &rst iat=743,740,719,739, /
#
#  chirality for residue 24 atoms:  C3' C5' O4' H4'
 &rst iat=738,716,721,720, /
#
#  chirality for residue 24 atoms:  C4' O5' H5'1 H5'2
 &rst iat=719,715,717,718, /
#
#  chirality for residue 25 atoms:  C2' O4' N9 H1'
 &rst iat=773,753,756,755, /
#
#  chirality for residue 25 atoms:  C3' C1' H2'1 H2'2
 &rst iat=771,754,774,775, /
#
#  chirality for residue 25 atoms:  O3' C2' C4' H3'
 &rst iat=776,773,751,772, /
#
#  chirality for residue 25 atoms:  C3' C5' O4' H4'
 &rst iat=771,748,753,752, /
#
#  chirality for residue 25 atoms:  C4' O5' H5'1 H5'2
 &rst iat=751,747,749,750, /
#
#  chirality for residue 26 atoms:  C2' O4' N9 H1'
 &rst iat=806,786,789,788, /
#
#  chirality for residue 26 atoms:  C3' C1' H2'1 H2'2
 &rst iat=804,787,807,808, /
#
#  chirality for residue 26 atoms:  O3' C2' C4' H3'
 &rst iat=809,806,784,805, /
#
#  chirality for residue 26 atoms:  C3' C5' O4' H4'
 &rst iat=804,781,786,785, /
#
#  chirality for residue 26 atoms:  C4' O5' H5'1 H5'2
 &rst iat=784,780,782,783, /
# 810 atoms read from pdb file gxac_ab_beta_amber.pdb.
# 2 CYT BETA:  (2 DC P)-(2 DC O5')-(2 DC C5')-(2 DC C4') -175.0 -115.0
 &rst     iat =    29,    32,    33,    36,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
   rk2 =  200.0, rk3 =  200.0,    /

# 2 CYT EPSLN:  (2 DC C4')-(2 DC C3')-(2 DC O3')-(3 DA P) 125.0 180.0
 &rst     iat =    36,    53,    58,    59,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 2 CYT GAMMA:  (2 DC O5')-(2 DC C5')-(2 DC C4')-(2 DC C3')  25.0  55.0
 &rst     iat =    32,    33,    36,    53,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 3 ADE BETA:  (3 DA P)-(3 DA O5')-(3 DA C5')-(3 DA C4') -175.0 -115.0
 &rst     iat =    59,    62,    63,    66,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 3 ADE EPSLN:  (3 DA C4')-(3 DA C3')-(3 DA O3')-(4 DA P) 125.0 180.0
 &rst     iat =    66,    85,    90,    91,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 3 ADE GAMMA:  (3 DA O5')-(3 DA C5')-(3 DA C4')-(3 DA C3')  25.0  55.0
 &rst     iat =    62,    63,    66,    85,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 4 ADE BETA:  (4 DA P)-(4 DA O5')-(4 DA C5')-(4 DA C4') -175.0 -115.0
 &rst     iat =    91,    94,    95,    98,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 4 ADE EPSLN:  (4 DA C4')-(4 DA C3')-(4 DA O3')-(5 DA P) 125.0 180.0
 &rst     iat =    98,   117,   122,   123,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 4 ADE GAMMA:  (4 DA O5')-(4 DA C5')-(4 DA C4')-(4 DA C3')  25.0  65.0
 &rst     iat =    94,    95,    98,   117,
   r1 =  24.0, r2 =  25.0, r3 =  65.0, r4 =  66.0,
 /

# 5 ADE BETA:  (5 DA P)-(5 DA O5')-(5 DA C5')-(5 DA C4') -175.0 -115.0
 &rst     iat =   123,   126,   127,   130,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 5 ADE EPSLN:  (5 DA C4')-(5 DA C3')-(5 DA O3')-(6 DG P) 125.0 180.0
 &rst     iat =   130,   149,   154,   155,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 5 ADE GAMMA:  (5 DA O5')-(5 DA C5')-(5 DA C4')-(5 DA C3')  25.0  55.0
 &rst     iat =   126,   127,   130,   149,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 6 GUA BETA:  (6 DG P)-(6 DG O5')-(6 DG C5')-(6 DG C4') -175.0 -115.0
 &rst     iat =   155,   158,   159,   162,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 6 GUA EPSLN:  (6 DG C4')-(6 DG C3')-(6 DG O3')-(7 ABB P) 140.0 300.0
 &rst     iat =   162,   182,   187,   188,
   r1 = 139.0, r2 = 140.0, r3 = 300.0, r4 = 301.0,
 /

# 6 GUA GAMMA:  (6 DG O5')-(6 DG C5')-(6 DG C4')-(6 DG C3')  25.0  55.0
 &rst     iat =   158,   159,   162,   182,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 8 ADE GAMMA:  (8 DA O5')-(8 DA C5')-(8 DA C4')-(8 DA C3')  25.0  55.0
 &rst     iat =   211,   212,   215,   234,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 8 ADE BETA:  (8 DA P)-(8 DA O5')-(8 DA C5')-(8 DA C4') -175.0 -115.0
 &rst     iat =   208,   211,   212,   215,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 8 ADE EPSLN:  (8 DA C4')-(8 DA C3')-(8 DA O3')-(9 DC P) 125.0 180.0
 &rst     iat =   215,   234,   239,   240,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 9 CYT BETA:  (9 DC P)-(9 DC O5')-(9 DC C5')-(9 DC C4') -175.0 -115.0
 &rst     iat =   240,   243,   244,   247,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 9 CYT EPSLN:  (9 DC C4')-(9 DC C3')-(9 DC O3')-(10 DC P) 125.0 180.0
 &rst     iat =   247,   264,   269,   270,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 9 CYT GAMMA:  (9 DC O5')-(9 DC C5')-(9 DC C4')-(9 DC C3')  25.0  55.0
 &rst     iat =   243,   244,   247,   264,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 10 CYT BETA:  (10 DC P)-(10 DC O5')-(10 DC C5')-(10 DC C4') -175.0 -115.0
 &rst     iat =   270,   273,   274,   277,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 10 CYT EPSLN:  (10 DC C4')-(10 DC C3')-(10 DC O3')-(11 DG P) 125.0 180.0
 &rst     iat =   277,   294,   299,   300,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 10 CYT GAMMA:  (10 DC O5')-(10 DC C5')-(10 DC C4')-(10 DC C3')  25.0  55.0
 &rst     iat =   273,   274,   277,   294,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 11 GUA BETA:  (11 DG P)-(11 DG O5')-(11 DG C5')-(11 DG C4') -175.0 -115.0
 &rst     iat =   300,   303,   304,   307,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 11 GUA EPSLN:  (11 DG C4')-(11 DG C3')-(11 DG O3')-(12 DG P) 125.0 180.0
 &rst     iat =   307,   327,   332,   333,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 11 GUA GAMMA:  (11 DG O5')-(11 DG C5')-(11 DG C4')-(11 DG C3')  25.0  55.0
 &rst     iat =   303,   304,   307,   327,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 12 GUA BETA:  (12 DG P)-(12 DG O5')-(12 DG C5')-(12 DG C4') -175.0 -115.0
 &rst     iat =   333,   336,   337,   340,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 12 GUA EPSLN:  (12 DG C4')-(12 DG C3')-(12 DG O3')-(13 DG3 P) 125.0 180.0
 &rst     iat =   340,   360,   365,   366,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 12 GUA GAMMA:  (12 DG O5')-(12 DG C5')-(12 DG C4')-(12 DG C3')  25.0  55.0
 &rst     iat =   336,   337,   340,   360,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 13 GUA BETA:  (13 DG3 P)-(13 DG3 O5')-(13 DG3 C5')-(13 DG3 C4') -175.0 -115.0
 &rst     iat =   366,   369,   370,   373,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 14 CYT EPSLN:  (14 DC5 C4')-(14 DC5 C3')-(14 DC5 O3')-(15 DC P) 125.0 180.0
 &rst     iat =   405,   422,   427,   428,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 14 CYT GAMMA:  (14 DC5 O5')-(14 DC5 C5')-(14 DC5 C4')-(14 DC5 C3')  25.0  55.0
 &rst     iat =   401,   402,   405,   422,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 15 CYT BETA:  (15 DC P)-(15 DC O5')-(15 DC C5')-(15 DC C4') -175.0 -115.0
 &rst     iat =   428,   431,   432,   435,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 15 CYT EPSLN:  (15 DC C4')-(15 DC C3')-(15 DC O3')-(16 DC P) 125.0 180.0
 &rst     iat =   435,   452,   457,   458,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 15 CYT GAMMA:  (15 DC O5')-(15 DC C5')-(15 DC C4')-(15 DC C3')  25.0  55.0
 &rst     iat =   431,   432,   435,   452,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 16 CYT BETA:  (16 DC P)-(16 DC O5')-(16 DC C5')-(16 DC C4') -175.0 -115.0
 &rst     iat =   458,   461,   462,   465,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 16 CYT EPSLN:  (16 DC C4')-(16 DC C3')-(16 DC O3')-(17 DG P) 125.0 180.0
 &rst     iat =   465,   482,   487,   488,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 16 CYT GAMMA:  (16 DC O5')-(16 DC C5')-(16 DC C4')-(16 DC C3')  25.0  55.0
 &rst     iat =   461,   462,   465,   482,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 17 GUA BETA:  (17 DG P)-(17 DG O5')-(17 DG C5')-(17 DG C4') -175.0 -115.0
 &rst     iat =   488,   491,   492,   495,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 17 GUA EPSLN:  (17 DG C4')-(17 DG C3')-(17 DG O3')-(18 DG P) 125.0 180.0
 &rst     iat =   495,   515,   520,   521,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 17 GUA GAMMA:  (17 DG O5')-(17 DG C5')-(17 DG C4')-(17 DG C3')  25.0  55.0
 &rst     iat =   491,   492,   495,   515,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 18 GUA BETA:  (18 DG P)-(18 DG O5')-(18 DG C5')-(18 DG C4') -175.0 -115.0
 &rst     iat =   521,   524,   525,   528,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 18 GUA EPSLN:  (18 DG C4')-(18 DG C3')-(18 DG O3')-(19 DT P) 125.0 180.0
 &rst     iat =   528,   548,   553,   554,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 18 GUA GAMMA:  (18 DG O5')-(18 DG C5')-(18 DG C4')-(18 DG C3')  25.0  55.0
 &rst     iat =   524,   525,   528,   548,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 19 THY BETA:  (19 DT P)-(19 DT O5')-(19 DT C5')-(19 DT C4') -175.0 -115.0
 &rst     iat =   554,   557,   558,   561,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 19 THY EPSLN:  (19 DT C4')-(19 DT C3')-(19 DT O3')-(20 DA P) 125.0 180.0
 &rst     iat =   561,   580,   585,   586,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 19 THY GAMMA:  (19 DT O5')-(19 DT C5')-(19 DT C4')-(19 DT C3')  25.0  55.0
 &rst     iat =   557,   558,   561,   580,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 20 ADE BETA:  (20 DA P)-(20 DA O5')-(20 DA C5')-(20 DA C4') -175.0 -115.0
 &rst     iat =   586,   589,   590,   593,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 20 ADE EPSLN:  (20 DA C4')-(20 DA C3')-(20 DA O3')-(21 DC P) 125.0 180.0
 &rst     iat =   593,   612,   617,   618,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 20 ADE GAMMA:  (20 DA O5')-(20 DA C5')-(20 DA C4')-(20 DA C3')  25.0  55.0
 &rst     iat =   589,   590,   593,   612,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 21 CYT BETA:  (21 DC P)-(21 DC O5')-(21 DC C5')-(21 DC C4') -175.0 -115.0
 &rst     iat =   618,   621,   622,   625,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 21 CYT EPSLN:  (21 DC C4')-(21 DC C3')-(21 DC O3')-(22 DT P) 125.0 180.0
 &rst     iat =   625,   642,   647,   648,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 21 CYT GAMMA:  (21 DC O5')-(21 DC C5')-(21 DC C4')-(21 DC C3')  25.0  55.0
 &rst     iat =   621,   622,   625,   642,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 22 THY BETA:  (22 DT P)-(22 DT O5')-(22 DT C5')-(22 DT C4') -175.0 -115.0
 &rst     iat =   648,   651,   652,   655,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 22 THY EPSLN:  (22 DT C4')-(22 DT C3')-(22 DT O3')-(23 DT P) 125.0 180.0
 &rst     iat =   655,   674,   679,   680,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 22 THY GAMMA:  (22 DT O5')-(22 DT C5')-(22 DT C4')-(22 DT C3')  25.0  55.0
 &rst     iat =   651,   652,   655,   674,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 23 THY BETA:  (23 DT P)-(23 DT O5')-(23 DT C5')-(23 DT C4') -175.0 -115.0
 &rst     iat =   680,   683,   684,   687,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 23 THY EPSLN:  (23 DT C4')-(23 DT C3')-(23 DT O3')-(24 DT P) 125.0 180.0
 &rst     iat =   687,   706,   711,   712,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 23 THY GAMMA:  (23 DT O5')-(23 DT C5')-(23 DT C4')-(23 DT C3')  25.0  55.0
 &rst     iat =   683,   684,   687,   706,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 24 THY BETA:  (24 DT P)-(24 DT O5')-(24 DT C5')-(24 DT C4') -175.0 -115.0
 &rst     iat =   712,   715,   716,   719,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 24 THY EPSLN:  (24 DT C4')-(24 DT C3')-(24 DT O3')-(25 DG P) 125.0 180.0
 &rst     iat =   719,   738,   743,   744,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 24 THY GAMMA:  (24 DT O5')-(24 DT C5')-(24 DT C4')-(24 DT C3')  25.0  55.0
 &rst     iat =   715,   716,   719,   738,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 25 GUA BETA:  (25 DG P)-(25 DG O5')-(25 DG C5')-(25 DG C4') -175.0 -115.0
 &rst     iat =   744,   747,   748,   751,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 25 GUA GAMMA:  (25 DG O5')-(25 DG C5')-(25 DG C4')-(25 DG C3')  25.0  55.0
 &rst     iat =   747,   748,   751,   771,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 26 GUA BETA:  (26 DG3 P)-(26 DG3 O5')-(26 DG3 C5')-(26 DG3 C4') -175.0 -115.0
 &rst     iat =   777,   780,   781,   784,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    C   1          1H5*        C   1   8.225  -5.250  -6.223
    2   2H5*    C   1          2H5*        C   1   9.053  -5.878  -4.673
    3    H4*    C   1           H4*        C   1   9.416  -3.528  -4.829
    4    H3*    C   1           H3*        C   1   7.753  -4.701  -2.633
    5    H1*    C   1           H1*        C   1   8.123  -1.240  -4.457
    6   1H4     C   1          1H4         C   1   2.134   1.234  -4.265
    7   2H4     C   1          2H4         C   1   1.601  -0.420  -4.516
    8    H5     C   1           H5         C   1   2.749  -2.192  -4.618
    9    H6     C   1           H6         C   1   5.009  -3.138  -4.978
   10    H5T    C   1           H5T        C   1   6.325  -5.389  -5.552
   11   1H2*    C   1          1H2*        C   1   6.440  -2.995  -2.558
   12   2H2*    C   1          2H2*        C   1   7.790  -1.863  -2.165
   13   1H5*    C   2          1H5*        C   2   9.983  -1.048  -1.389
   14   2H5*    C   2          2H5*        C   2  10.852  -1.318   0.137
   15    H4*    C   2           H4*        C   2   9.897   0.971   0.092
   16    H3*    C   2           H3*        C   2   8.882  -0.982   2.092
   17    H1*    C   2           H1*        C   2   7.268   1.914   0.201
   18   1H4     C   2          1H4         C   2   1.241   0.833  -0.880
   19   2H4     C   2          2H4         C   2   1.515  -0.869  -1.217
   20    H5     C   2           H5         C   2   3.576  -1.822  -1.003
   21    H6     C   2           H6         C   2   5.938  -1.528  -0.507
   22   1H2*    C   2          1H2*        C   2   6.722  -0.689   1.693
   23   2H2*    C   2          2H2*        C   2   6.919   1.000   2.286
   24   1H5*    A   3          1H5*        A   3   9.234   3.973   5.609
   25   2H5*    A   3          2H5*        A   3   7.600   3.412   5.458
   26    H4*    A   3           H4*        A   3   8.933   5.701   3.905
   27    H3*    A   3           H3*        A   3   7.913   5.538   6.658
   28    H1*    A   3           H1*        A   3   5.356   6.533   3.836
   29    H8     A   3           H8         A   3   6.061   2.895   3.510
   30   1H6     A   3          1H6         A   3   0.033   2.110   2.650
   31   2H6     A   3          2H6         A   3   1.557   1.184   2.556
   32    H2     A   3           H2         A   3   0.570   6.279   3.728
   33   1H2*    A   3          1H2*        A   3   5.816   4.675   6.081
   34   2H2*    A   3          2H2*        A   3   5.410   6.390   5.998
   35   1H5*    A   4          1H5*        A   4   5.040   8.996   5.442
   36   2H5*    A   4          2H5*        A   4   5.642  10.170   6.612
   37    H4*    A   4           H4*        A   4   3.296   9.945   6.794
   38    H3*    A   4           H3*        A   4   4.960   9.312   9.164
   39    H1*    A   4           H1*        A   4   1.546   7.781   8.120
   40    H8     A   4           H8         A   4   4.458   5.160   7.955
   41   1H6     A   4          1H6         A   4   0.038   1.675   5.649
   42   2H6     A   4          2H6         A   4   1.640   1.565   6.376
   43    H2     A   4           H2         A   4  -1.836   5.414   6.480
   44   1H2*    A   4          1H2*        A   4   4.331   7.335   9.367
   45   2H2*    A   4          2H2*        A   4   3.033   8.020  10.259
   46   1H5*    A   5          1H5*        A   5   0.056  10.168   9.438
   47   2H5*    A   5          2H5*        A   5   0.011  11.247  10.797
   48    H4*    A   5           H4*        A   5  -1.910   9.844  10.754
   49    H3*    A   5           H3*        A   5  -0.334   9.739  13.119
   50    H1*    A   5           H1*        A   5  -2.398   7.000  11.278
   51    H8     A   5           H8         A   5   1.294   6.114  11.168
   52   1H6     A   5          1H6         A   5  -0.480   0.571   9.074
   53   2H6     A   5          2H6         A   5   0.834   1.482   9.764
   54    H2     A   5           H2         A   5  -4.079   3.115   9.503
   55   1H2*    A   5          1H2*        A   5   0.160   7.420  12.978
   56   2H2*    A   5          2H2*        A   5  -1.476   7.208  13.487
   57   1H5*    G   6          1H5*        G   6  -4.394   7.545  13.018
   58   2H5*    G   6          2H5*        G   6  -5.362   8.288  14.416
   59    H4*    G   6           H4*        G   6  -6.206   6.006  14.151
   60    H3*    G   6           H3*        G   6  -4.900   6.539  16.584
   61    H1*    G   6           H1*        G   6  -5.186   3.550  14.177
   62    H8     G   6           H8         G   6  -1.360   4.760  14.358
   63    H1     G   6           H1         G   6  -2.676  -1.249  12.150
   64   1H2     G   6          1H2         G   6  -4.845  -1.456  12.202
   65   2H2     G   6          2H2         G   6  -5.890  -0.242  12.909
   66   1H2*    G   6          1H2*        G   6  -3.126   4.884  16.084
   67   2H2*    G   6          2H2*        G   6  -4.395   3.757  16.561
   68   1H5*  B1P   7          1H5*      B1P   7  -7.757   2.687  18.422
   69   2H5*  B1P   7          2H5*      B1P   7  -7.407   2.851  16.648
   70    H4*  B1P   7           H4*      B1P   7 -10.090   2.815  18.018
   71    H1*  B1P   7           H1*      B1P   7 -11.114   1.282  15.048
   72   HO1*  B1P   7          HO1*      B1P   7  -8.894   2.221  13.788
   73   1H2*  B1P   7          1H2*      B1P   7  -8.105   0.894  15.377
   74   2H2*  B1P   7          2H2*      B1P   7  -9.346  -0.432  15.415
   75    H3*  B1P   7           H3*      B1P   7  -8.496   0.433  17.759
   76   1H5*    A   8          1H5*        A   8 -11.110  -2.379  17.642
   77   2H5*    A   8          2H5*        A   8 -11.935  -2.629  19.207
   78    H4*    A   8           H4*        A   8 -11.083  -4.587  18.316
   79    H3*    A   8           H3*        A   8 -10.806  -3.953  20.976
   80    H1*    A   8           H1*        A   8  -7.757  -5.435  18.852
   81    H8     A   8           H8         A   8  -7.727  -1.605  19.106
   82   1H6     A   8          1H6         A   8  -1.715  -2.095  18.337
   83   2H6     A   8          2H6         A   8  -2.976  -0.947  18.459
   84    H2     A   8           H2         A   8  -3.104  -6.027  18.569
   85   1H2*    A   8          1H2*        A   8  -8.711  -3.304  20.880
   86   2H2*    A   8          2H2*        A   8  -8.300  -4.952  21.087
   87   1H5*    C   9          1H5*        C   9  -8.481  -7.578  20.343
   88   2H5*    C   9          2H5*        C   9  -8.798  -8.898  21.449
   89    H4*    C   9           H4*        C   9  -6.371  -8.539  21.382
   90    H3*    C   9           H3*        C   9  -7.463  -8.206  24.094
   91    H1*    C   9           H1*        C   9  -4.480  -7.022  22.268
   92   1H4     C   9          1H4         C   9  -2.321  -1.239  21.320
   93   2H4     C   9          2H4         C   9  -3.876  -0.380  21.441
   94    H5     C   9           H5         C   9  -5.841  -1.664  22.229
   95    H6     C   9           H6         C   9  -6.663  -4.056  22.610
   96   1H2*    C   9          1H2*        C   9  -6.199  -6.106  24.296
   97   2H2*    C   9          2H2*        C   9  -4.842  -7.191  24.270
   98   1H5*    C  10          1H5*        C  10  -3.106  -9.418  23.106
   99   2H5*    C  10          2H5*        C  10  -2.791 -10.890  23.698
  100    H4*    C  10           H4*        C  10  -0.662 -10.096  24.019
  101    H3*    C  10           H3*        C  10  -2.186  -9.878  26.676
  102    H1*    C  10           H1*        C  10   0.697  -7.912  24.975
  103   1H4     C  10          1H4         C  10   0.666  -1.628  24.828
  104   2H4     C  10          2H4         C  10  -1.140  -1.539  25.010
  105    H5     C  10           H5         C  10  -2.592  -3.532  24.927
  106    H6     C  10           H6         C  10  -2.464  -5.974  24.897
  107   1H2*    C  10          1H2*        C  10  -1.622  -7.435  26.767
  108   2H2*    C  10          2H2*        C  10  -0.077  -8.005  27.133
  109   1H5*    G  11          1H5*        G  11   2.467  -9.276  26.093
  110   2H5*    G  11          2H5*        G  11   3.054 -10.744  26.891
  111    H4*    G  11           H4*        G  11   4.818  -9.290  27.049
  112    H3*    G  11           H3*        G  11   3.801  -9.975  29.551
  113    H1*    G  11           H1*        G  11   4.822  -6.452  28.760
  114    H8     G  11           H8         G  11   0.943  -6.461  29.117
  115    H1     G  11           H1         G  11   4.084  -0.930  27.675
  116   1H2     G  11          1H2         G  11   6.424  -1.528  27.740
  117   2H2     G  11          2H2         G  11   6.835  -3.222  27.705
  118   1H2*    G  11          1H2*        G  11   2.578  -8.135  29.855
  119   2H2*    G  11          2H2*        G  11   4.176  -7.603  30.656
  120   1H5*    G  12          1H5*        G  12   7.302  -7.492  28.790
  121   2H5*    G  12          2H5*        G  12   8.675  -8.121  29.655
  122    H4*    G  12           H4*        G  12   9.150  -5.625  29.660
  123    H3*    G  12           H3*        G  12   8.248  -6.719  32.229
  124    H1*    G  12           H1*        G  12   7.830  -3.310  30.287
  125    H8     G  12           H8         G  12   4.801  -5.216  31.575
  126    H1     G  12           H1         G  12   4.272   1.218  31.480
  127   1H2     G  12          1H2         G  12   6.058   2.071  30.925
  128   2H2     G  12          2H2         G  12   7.381   0.855  30.501
  129   1H2*    G  12          1H2*        G  12   7.070  -4.752  32.633
  130   2H2*    G  12          2H2*        G  12   8.552  -3.793  32.438
  131   1H5*    G  13          1H5*        G  13  12.089  -3.578  34.965
  132   2H5*    G  13          2H5*        G  13  10.321  -3.522  35.282
  133    H4*    G  13           H4*        G  13  11.930  -1.503  33.579
  134    H3*    G  13           H3*        G  13  11.607  -1.714  36.385
  135    H1*    G  13           H1*        G  13   9.280   0.407  34.156
  136    H8     G  13           H8         G  13   7.622  -3.112  34.866
  137    H1     G  13           H1         G  13   3.573   1.879  34.844
  138   1H2     G  13          1H2         G  13   4.674   3.856  34.718
  139   2H2     G  13          2H2         G  13   6.443   3.815  34.809
  140    H3T    G  13           H3T        G  13  11.917   0.659  36.475
  141   1H2*    G  13          1H2*        G  13   9.297  -1.671  36.488
  142   2H2*    G  13          2H2*        G  13   9.654   0.089  36.656
  143   1H5*    C  14          1H5*        C  14  -1.924   8.143  36.201
  144   2H5*    C  14          2H5*        C  14  -2.292   9.294  35.078
  145    H4*    C  14           H4*        C  14   0.303   9.259  35.384
  146    H3*    C  14           H3*        C  14  -0.841   8.665  32.668
  147    H1*    C  14           H1*        C  14   2.116   6.785  34.412
  148   1H4     C  14          1H4         C  14   1.383   0.566  34.768
  149   2H4     C  14          2H4         C  14  -0.312   0.617  34.727
  150    H5     C  14           H5         C  14  -1.475   2.659  34.748
  151    H6     C  14           H6         C  14  -1.296   5.210  34.380
  152    H5T    C  14           H5T        C  14  -3.394   7.378  34.667
  153   1H2*    C  14          1H2*        C  14  -0.043   6.400  32.609
  154   2H2*    C  14          2H2*        C  14   1.351   7.193  32.265
  155   1H5*    C  15          1H5*        C  15   4.038   9.082  33.048
  156   2H5*    C  15          2H5*        C  15   4.358  10.367  31.886
  157    H4*    C  15           H4*        C  15   6.160   8.596  32.085
  158    H3*    C  15           H3*        C  15   5.198   9.325  29.528
  159    H1*    C  15           H1*        C  15   5.789   5.653  30.458
  160   1H4     C  15          1H4         C  15   1.542   1.293  31.437
  161   2H4     C  15          2H4         C  15   0.143   2.448  31.122
  162    H5     C  15           H5         C  15   0.442   4.649  30.430
  163    H6     C  15           H6         C  15   1.995   6.436  30.030
  164   1H2*    C  15          1H2*        C  15   3.892   7.600  29.119
  165   2H2*    C  15          2H2*        C  15   5.334   6.942  28.498
  166   1H5*    C  16          1H5*        C  16   8.574   5.949  29.558
  167   2H5*    C  16          2H5*        C  16   9.829   6.374  28.507
  168    H4*    C  16           H4*        C  16   9.791   4.177  28.271
  169    H3*    C  16           H3*        C  16   8.259   5.666  25.990
  170    H1*    C  16           H1*        C  16   8.025   1.985  27.521
  171   1H4     C  16          1H4         C  16   1.775   0.796  28.299
  172   2H4     C  16          2H4         C  16   1.338   2.457  28.040
  173    H5     C  16           H5         C  16   3.018   4.233  27.605
  174    H6     C  16           H6         C  16   5.349   4.713  27.464
  175   1H2*    C  16          1H2*        C  16   6.873   3.907  25.546
  176   2H2*    C  16          2H2*        C  16   8.098   2.736  25.482
  177   1H5*    G  17          1H5*        G  17  10.379   1.847  25.321
  178   2H5*    G  17          2H5*        G  17  11.515   2.025  23.919
  179    H4*    G  17           H4*        G  17  10.897  -0.146  23.835
  180    H3*    G  17           H3*        G  17  10.061   1.167  21.493
  181    H1*    G  17           H1*        G  17   7.928  -1.375  23.408
  182    H8     G  17           H8         G  17   6.294   2.194  23.992
  183    H1     G  17           H1         G  17   2.496  -2.844  24.800
  184   1H2     G  17          1H2         G  17   3.494  -4.796  24.534
  185   2H2     G  17          2H2         G  17   5.040  -4.775  23.838
  186   1H2*    G  17          1H2*        G  17   7.940   1.386  22.274
  187   2H2*    G  17          2H2*        G  17   7.765  -0.189  21.357
  188   1H5*    G  18          1H5*        G  18   8.556  -3.335  22.026
  189   2H5*    G  18          2H5*        G  18   9.469  -4.227  20.860
  190    H4*    G  18           H4*        G  18   7.429  -5.351  21.196
  191    H3*    G  18           H3*        G  18   7.339  -3.783  18.673
  192    H1*    G  18           H1*        G  18   4.773  -5.258  21.271
  193    H8     G  18           H8         G  18   4.941  -1.615  20.509
  194    H1     G  18           H1         G  18  -1.126  -3.763  21.391
  195   1H2     G  18          1H2         G  18  -0.999  -6.031  21.670
  196   2H2     G  18          2H2         G  18   0.630  -6.774  21.802
  197   1H2*    G  18          1H2*        G  18   4.887  -3.883  18.606
  198   2H2*    G  18          2H2*        G  18   4.945  -5.601  19.119
  199   1H5*    T  19          1H5*        T  19   5.280  -7.704  19.057
  200   2H5*    T  19          2H5*        T  19   6.152  -8.653  18.015
  201    H4*    T  19           H4*        T  19   3.977  -9.503  18.064
  202    H3*    T  19           H3*        T  19   4.802  -8.661  15.569
  203   1H2*    T  19          1H2*        T  19   3.274  -6.823  15.261
  204   2H2*    T  19          2H2*        T  19   2.067  -7.921  14.916
  205    H1*    T  19           H1*        T  19   1.171  -7.940  17.097
  206    H3     T  19           H3         T  19  -0.993  -4.275  18.408
  207   1H5M    T  19          1H5M        T  19   3.705  -2.791  15.964
  208   2H5M    T  19          2H5M        T  19   2.439  -1.651  16.541
  209   3H5M    T  19          3H5M        T  19   3.740  -2.349  17.671
  210    H6     T  19           H6         T  19   3.621  -5.147  17.030
  211   1H5*    A  20          1H5*        A  20   0.142 -11.190  15.089
  212   2H5*    A  20          2H5*        A  20   0.297 -11.719  13.509
  213    H4*    A  20           H4*        A  20  -1.894 -10.823  13.856
  214    H3*    A  20           H3*        A  20  -0.038  -9.927  11.804
  215    H1*    A  20           H1*        A  20  -3.050  -8.377  13.665
  216    H8     A  20           H8         A  20   0.324  -6.234  14.015
  217   1H6     A  20          1H6         A  20  -3.812  -1.700  15.031
  218   2H6     A  20          2H6         A  20  -2.015  -2.103  14.898
  219    H2     A  20           H2         A  20  -6.089  -5.258  14.492
  220   1H2*    A  20          1H2*        A  20  -0.654  -7.564  12.070
  221   2H2*    A  20          2H2*        A  20  -2.221  -8.071  11.660
  222   1H5*    C  21          1H5*        C  21  -4.620  -9.731  10.805
  223   2H5*    C  21          2H5*        C  21  -5.035 -10.117   9.241
  224    H4*    C  21           H4*        C  21  -6.210  -8.076  10.012
  225    H3*    C  21           H3*        C  21  -4.250  -7.715   7.779
  226    H1*    C  21           H1*        C  21  -5.523  -5.229  10.718
  227   1H4     C  21          1H4         C  21  -0.204  -1.954  12.099
  228   2H4     C  21          2H4         C  21   0.607  -3.176  11.114
  229    H5     C  21           H5         C  21  -0.083  -5.151  10.492
  230    H6     C  21           H6         C  21  -2.033  -6.544   9.825
  231   1H2*    C  21          1H2*        C  21  -4.060  -5.326   8.331
  232   2H2*    C  21          2H2*        C  21  -5.802  -5.088   8.610
  233   1H5*    T  22          1H5*        T  22  -7.836  -5.240   8.247
  234   2H5*    T  22          2H5*        T  22  -8.990  -5.353   6.958
  235    H4*    T  22           H4*        T  22  -9.115  -3.207   7.734
  236    H3*    T  22           H3*        T  22  -7.821  -3.487   5.107
  237   1H2*    T  22          1H2*        T  22  -6.234  -1.836   5.539
  238   2H2*    T  22          2H2*        T  22  -7.454  -0.638   5.989
  239    H1*    T  22           H1*        T  22  -7.236  -0.919   8.031
  240    H3     T  22           H3         T  22  -2.946   0.715   8.673
  241   1H5M    T  22          1H5M        T  22  -2.116  -3.579   6.057
  242   2H5M    T  22          2H5M        T  22  -1.044  -3.099   7.380
  243   3H5M    T  22          3H5M        T  22  -2.280  -4.385   7.632
  244    H6     T  22           H6         T  22  -4.785  -3.376   6.943
  245   1H5*    T  23          1H5*        T  23  -9.156   0.450   6.168
  246   2H5*    T  23          2H5*        T  23 -10.429   1.130   4.968
  247    H4*    T  23           H4*        T  23  -9.051   2.808   5.754
  248    H3*    T  23           H3*        T  23  -8.680   1.859   2.906
  249   1H2*    T  23          1H2*        T  23  -6.491   2.415   2.850
  250   2H2*    T  23          2H2*        T  23  -6.802   4.145   3.424
  251    H1*    T  23           H1*        T  23  -6.578   3.727   5.680
  252    H3     T  23           H3         T  23  -2.160   2.605   6.081
  253   1H5M    T  23          1H5M        T  23  -3.033  -1.106   3.085
  254   2H5M    T  23          2H5M        T  23  -3.170  -1.794   4.629
  255   3H5M    T  23          3H5M        T  23  -4.611  -1.471   3.500
  256    H6     T  23           H6         T  23  -5.803   0.387   3.986
  257   1H5*    T  24          1H5*        T  24  -7.941   6.102   4.014
  258   2H5*    T  24          2H5*        T  24  -9.069   7.169   3.319
  259    H4*    T  24           H4*        T  24  -7.192   8.507   3.753
  260    H3*    T  24           H3*        T  24  -7.660   8.464   1.111
  261   1H2*    T  24          1H2*        T  24  -6.177   6.466   0.585
  262   2H2*    T  24          2H2*        T  24  -5.100   7.753   0.304
  263    H1*    T  24           H1*        T  24  -4.160   7.537   2.326
  264    H3     T  24           H3         T  24  -1.203   4.373   3.217
  265   1H5M    T  24          1H5M        T  24  -5.324   2.166   0.432
  266   2H5M    T  24          2H5M        T  24  -3.666   1.573   0.261
  267   3H5M    T  24          3H5M        T  24  -4.623   1.352   1.874
  268    H6     T  24           H6         T  24  -5.723   4.334   1.390
  269   1H5*    G  25          1H5*        G  25  -3.381   9.726   2.578
  270   2H5*    G  25          2H5*        G  25  -3.245  11.352   1.934
  271    H4*    G  25           H4*        G  25  -0.899  10.608   2.385
  272    H3*    G  25           H3*        G  25  -1.424  11.283  -0.134
  273    H1*    G  25           H1*        G  25   0.795   8.397   0.923
  274    H8     G  25           H8         G  25  -2.657   6.918   0.021
  275    H1     G  25           H1         G  25   2.458   3.176  -0.337
  276   1H2     G  25          1H2         G  25   4.291   4.271   0.420
  277   2H2     G  25          2H2         G  25   3.972   6.006   0.515
  278   1H2*    G  25          1H2*        G  25  -1.622   8.997  -1.020
  279   2H2*    G  25          2H2*        G  25   0.333   9.294  -1.089
  280   1H5*    G  26          1H5*        G  26   2.875   9.606   0.870
  281   2H5*    G  26          2H5*        G  26   3.811  11.108   1.011
  282    H4*    G  26           H4*        G  26   5.383   9.383   0.533
  283    H3*    G  26           H3*        G  26   4.912  11.289  -1.496
  284    H1*    G  26           H1*        G  26   5.574   7.731  -2.078
  285    H8     G  26           H8         G  26   1.748   8.238  -2.807
  286    H1     G  26           H1         G  26   4.389   2.497  -4.001
  287   1H2     G  26          1H2         G  26   6.577   2.605  -3.470
  288   2H2     G  26          2H2         G  26   7.321   4.075  -2.931
  289    H3T    G  26           H3T        G  26   6.989  10.832  -0.802
  290   1H2*    G  26          1H2*        G  26   3.744   9.905  -3.034
  291   2H2*    G  26          2H2*        G  26   5.448   9.496  -3.463
  Start of MODEL    2
    1   1H5*    C   1          1H5*        C   1  11.390  -4.261  -4.202
    2   2H5*    C   1          2H5*        C   1   9.857  -4.319  -4.958
    3    H4*    C   1           H4*        C   1  11.427  -1.617  -4.652
    4    H3*    C   1           H3*        C   1   9.866  -3.300  -2.627
    5    H1*    C   1           H1*        C   1   9.499   0.134  -4.481
    6   1H4     C   1          1H4         C   1   3.424   1.446  -4.554
    7   2H4     C   1          2H4         C   1   2.892  -0.255  -4.738
    8    H5     C   1           H5         C   1   4.456  -1.972  -4.778
    9    H6     C   1           H6         C   1   6.888  -2.635  -4.608
   10    H5T    C   1           H5T        C   1  11.221  -3.133  -6.872
   11   1H2*    C   1          1H2*        C   1   8.278  -1.923  -2.459
   12   2H2*    C   1          2H2*        C   1   9.391  -0.549  -2.137
   13   1H5*    C   2          1H5*        C   2  11.369   0.507  -1.470
   14   2H5*    C   2          2H5*        C   2  12.277   0.590   0.056
   15    H4*    C   2           H4*        C   2  11.081   2.624  -0.107
   16    H3*    C   2           H3*        C   2  10.568   0.837   2.083
   17    H1*    C   2           H1*        C   2   8.337   3.131   0.344
   18   1H4     C   2          1H4         C   2   2.479   1.446  -1.492
   19   2H4     C   2          2H4         C   2   2.888  -0.257  -1.257
   20    H5     C   2           H5         C   2   5.128  -1.109  -1.083
   21    H6     C   2           H6         C   2   7.381  -0.559  -0.660
   22   1H2*    C   2          1H2*        C   2   8.488   0.217   1.334
   23   2H2*    C   2          2H2*        C   2   8.014   1.558   2.323
   24   1H5*    A   3          1H5*        A   3  10.015   5.412   5.705
   25   2H5*    A   3          2H5*        A   3   8.592   4.680   5.349
   26    H4*    A   3           H4*        A   3   9.434   7.333   4.156
   27    H3*    A   3           H3*        A   3   8.462   6.977   6.466
   28    H1*    A   3           H1*        A   3   5.874   7.364   3.646
   29    H8     A   3           H8         A   3   7.319   3.972   3.344
   30   1H6     A   3          1H6         A   3   1.297   2.316   2.444
   31   2H6     A   3          2H6         A   3   2.899   1.589   2.511
   32    H2     A   3           H2         A   3   1.403   6.349   3.306
   33   1H2*    A   3          1H2*        A   3   6.696   5.546   5.943
   34   2H2*    A   3          2H2*        A   3   5.724   7.137   5.764
   35   1H5*    A   4          1H5*        A   4   5.111   9.846   5.337
   36   2H5*    A   4          2H5*        A   4   5.029  11.111   6.475
   37    H4*    A   4           H4*        A   4   2.770  10.241   6.387
   38    H3*    A   4           H3*        A   4   4.175   9.754   8.848
   39    H1*    A   4           H1*        A   4   1.353   7.859   6.944
   40    H8     A   4           H8         A   4   4.559   5.487   7.231
   41   1H6     A   4          1H6         A   4  -0.103   1.459   6.052
   42   2H6     A   4          2H6         A   4   1.683   1.497   6.291
   43    H2     A   4           H2         A   4  -1.767   5.335   5.705
   44   1H2*    A   4          1H2*        A   4   3.939   7.476   8.572
   45   2H2*    A   4          2H2*        A   4   2.333   7.791   9.260
   46   1H5*    A   5          1H5*        A   5  -0.750   9.736   8.600
   47   2H5*    A   5          2H5*        A   5  -1.165  10.835   9.773
   48    H4*    A   5           H4*        A   5  -2.948   9.249   9.674
   49    H3*    A   5           H3*        A   5  -1.469   9.114  12.153
   50    H1*    A   5           H1*        A   5  -3.388   6.563  10.061
   51    H8     A   5           H8         A   5   0.242   6.002   9.375
   52   1H6     A   5          1H6         A   5  -1.538  -0.067   9.665
   53   2H6     A   5          2H6         A   5  -0.109   0.809   9.462
   54    H2     A   5           H2         A   5  -5.125   2.504   9.881
   55   1H2*    A   5          1H2*        A   5  -1.017   6.903  11.846
   56   2H2*    A   5          2H2*        A   5  -2.678   6.657  12.319
   57   1H5*    G   6          1H5*        G   6  -6.195   8.086  11.736
   58   2H5*    G   6          2H5*        G   6  -6.872   8.610  13.253
   59    H4*    G   6           H4*        G   6  -8.003   6.666  12.257
   60    H3*    G   6           H3*        G   6  -7.632   6.857  15.164
   61    H1*    G   6           H1*        G   6  -7.342   3.639  13.002
   62    H8     G   6           H8         G   6  -3.828   4.997  13.551
   63    H1     G   6           H1         G   6  -4.186  -1.286  12.327
   64   1H2     G   6          1H2         G   6  -6.307  -1.939  12.561
   65   2H2     G   6          2H2         G   6  -7.591  -0.612  12.744
   66   1H2*    G   6          1H2*        G   6  -5.729   5.247  15.060
   67   2H2*    G   6          2H2*        G   6  -7.207   4.351  15.489
   68   1H5*  B1P   7          1H5*      B1P   7 -10.331   3.129  17.041
   69   2H5*  B1P   7          2H5*      B1P   7  -9.238   2.938  15.744
   70    H4*  B1P   7           H4*      B1P   7 -12.168   2.037  15.609
   71    H1*  B1P   7           H1*      B1P   7 -11.358  -0.524  13.932
   72   HO1*  B1P   7          HO1*      B1P   7 -10.120  -0.462  12.311
   73   1H2*  B1P   7          1H2*      B1P   7  -8.862   0.248  15.457
   74   2H2*  B1P   7          2H2*      B1P   7  -9.782  -1.329  15.643
   75    H3*  B1P   7           H3*      B1P   7 -10.291   0.791  17.370
   76   1H5*    A   8          1H5*        A   8 -11.060  -2.891  16.850
   77   2H5*    A   8          2H5*        A   8 -12.108  -3.600  18.072
   78    H4*    A   8           H4*        A   8 -10.301  -4.931  18.023
   79    H3*    A   8           H3*        A   8 -10.552  -3.013  20.420
   80    H1*    A   8           H1*        A   8  -7.627  -4.794  18.343
   81    H8     A   8           H8         A   8  -7.810  -1.085  19.101
   82   1H6     A   8          1H6         A   8  -1.551  -1.642  18.298
   83   2H6     A   8          2H6         A   8  -2.681  -0.301  18.427
   84    H2     A   8           H2         A   8  -3.395  -5.480  18.183
   85   1H2*    A   8          1H2*        A   8  -8.335  -3.048  20.641
   86   2H2*    A   8          2H2*        A   8  -8.122  -4.758  20.570
   87   1H5*    C   9          1H5*        C   9  -8.744  -6.981  20.790
   88   2H5*    C   9          2H5*        C   9  -9.591  -8.002  21.797
   89    H4*    C   9           H4*        C   9  -7.248  -8.691  21.870
   90    H3*    C   9           H3*        C   9  -8.262  -7.660  24.342
   91    H1*    C   9           H1*        C   9  -4.891  -7.060  22.830
   92   1H4     C   9          1H4         C   9  -2.288  -1.635  21.470
   93   2H4     C   9          2H4         C   9  -3.671  -0.578  21.562
   94    H5     C   9           H5         C   9  -5.893  -1.748  22.314
   95    H6     C   9           H6         C   9  -6.934  -3.812  22.587
   96   1H2*    C   9          1H2*        C   9  -7.159  -5.675  24.362
   97   2H2*    C   9          2H2*        C   9  -5.782  -6.633  25.002
   98   1H5*    C  10          1H5*        C  10  -3.712  -8.985  23.845
   99   2H5*    C  10          2H5*        C  10  -3.840 -10.455  24.816
  100    H4*    C  10           H4*        C  10  -1.432  -9.897  24.610
  101    H3*    C  10           H3*        C  10  -2.470  -9.988  27.243
  102    H1*    C  10           H1*        C  10   0.071  -7.815  25.694
  103   1H4     C  10          1H4         C  10  -0.032  -1.591  25.747
  104   2H4     C  10          2H4         C  10  -1.743  -1.352  25.333
  105    H5     C  10           H5         C  10  -3.259  -3.416  25.454
  106    H6     C  10           H6         C  10  -3.254  -5.849  25.787
  107   1H2*    C  10          1H2*        C  10  -2.360  -7.482  27.474
  108   2H2*    C  10          2H2*        C  10  -0.665  -7.876  27.878
  109   1H5*    G  11          1H5*        G  11   2.262  -9.856  26.257
  110   2H5*    G  11          2H5*        G  11   2.839 -11.020  27.374
  111    H4*    G  11           H4*        G  11   4.746  -9.808  26.910
  112    H3*    G  11           H3*        G  11   4.292 -10.278  29.584
  113    H1*    G  11           H1*        G  11   5.312  -6.823  28.349
  114    H8     G  11           H8         G  11   1.313  -6.930  28.795
  115    H1     G  11           H1         G  11   4.091  -0.944  28.177
  116   1H2     G  11          1H2         G  11   6.180  -1.122  27.663
  117   2H2     G  11          2H2         G  11   6.785  -2.764  27.301
  118   1H2*    G  11          1H2*        G  11   3.222  -8.057  30.003
  119   2H2*    G  11          2H2*        G  11   4.863  -7.764  30.540
  120   1H5*    G  12          1H5*        G  12   7.449  -7.384  28.428
  121   2H5*    G  12          2H5*        G  12   9.030  -8.041  28.886
  122    H4*    G  12           H4*        G  12   9.384  -5.916  29.056
  123    H3*    G  12           H3*        G  12   8.955  -7.129  31.779
  124    H1*    G  12           H1*        G  12   8.665  -3.463  30.380
  125    H8     G  12           H8         G  12   5.370  -5.360  31.467
  126    H1     G  12           H1         G  12   4.941   0.966  31.009
  127   1H2     G  12          1H2         G  12   7.193   1.860  30.836
  128   2H2     G  12          2H2         G  12   8.415   0.552  30.566
  129   1H2*    G  12          1H2*        G  12   7.984  -5.305  32.580
  130   2H2*    G  12          2H2*        G  12   9.368  -4.215  32.231
  131   1H5*    G  13          1H5*        G  13  11.340  -3.585  31.633
  132   2H5*    G  13          2H5*        G  13  12.960  -3.918  32.303
  133    H4*    G  13           H4*        G  13  12.507  -1.758  33.007
  134    H3*    G  13           H3*        G  13  12.193  -3.779  35.198
  135    H1*    G  13           H1*        G  13  10.430  -0.522  34.693
  136    H8     G  13           H8         G  13   8.334  -3.512  34.339
  137    H1     G  13           H1         G  13   4.866   1.882  34.419
  138   1H2     G  13          1H2         G  13   6.140   3.564  34.144
  139   2H2     G  13          2H2         G  13   7.943   3.364  34.015
  140    H3T    G  13           H3T        G  13  13.399  -2.313  36.295
  141   1H2*    G  13          1H2*        G  13  10.095  -3.346  35.896
  142   2H2*    G  13          2H2*        G  13  10.733  -1.839  36.545
  143   1H5*    C  14          1H5*        C  14  -0.253   8.436  37.095
  144   2H5*    C  14          2H5*        C  14  -0.281   9.793  35.968
  145    H4*    C  14           H4*        C  14   2.094   9.404  36.338
  146    H3*    C  14           H3*        C  14   0.909   9.026  33.746
  147    H1*    C  14           H1*        C  14   3.824   6.925  35.356
  148   1H4     C  14          1H4         C  14   2.906   0.975  35.420
  149   2H4     C  14          2H4         C  14   1.137   0.846  35.513
  150    H5     C  14           H5         C  14  -0.136   3.110  35.200
  151    H6     C  14           H6         C  14   0.241   5.578  35.504
  152    H5T    C  14           H5T        C  14  -1.619   7.821  35.468
  153   1H2*    C  14          1H2*        C  14   1.500   7.030  33.374
  154   2H2*    C  14          2H2*        C  14   3.135   7.457  33.094
  155   1H5*    C  15          1H5*        C  15   5.381   8.976  33.490
  156   2H5*    C  15          2H5*        C  15   5.985  10.147  32.151
  157    H4*    C  15           H4*        C  15   7.161   8.141  31.930
  158    H3*    C  15           H3*        C  15   5.495   9.333  30.031
  159    H1*    C  15           H1*        C  15   6.408   5.759  30.492
  160   1H4     C  15          1H4         C  15   2.406   1.125  31.630
  161   2H4     C  15          2H4         C  15   0.918   2.159  31.600
  162    H5     C  15           H5         C  15   1.114   4.562  31.497
  163    H6     C  15           H6         C  15   2.617   6.272  30.935
  164   1H2*    C  15          1H2*        C  15   4.108   7.569  29.623
  165   2H2*    C  15          2H2*        C  15   5.426   7.042  28.641
  166   1H5*    C  16          1H5*        C  16   8.677   6.193  29.025
  167   2H5*    C  16          2H5*        C  16   9.690   6.724  27.644
  168    H4*    C  16           H4*        C  16   9.606   4.374  27.625
  169    H3*    C  16           H3*        C  16   8.622   5.870  25.434
  170    H1*    C  16           H1*        C  16   7.789   2.316  26.813
  171   1H4     C  16          1H4         C  16   2.115   0.238  28.374
  172   2H4     C  16          2H4         C  16   1.508   1.863  28.733
  173    H5     C  16           H5         C  16   2.787   3.908  28.228
  174    H6     C  16           H6         C  16   4.985   4.698  27.525
  175   1H2*    C  16          1H2*        C  16   6.519   4.841  25.617
  176   2H2*    C  16          2H2*        C  16   7.290   3.388  24.753
  177   1H5*    G  17          1H5*        G  17  10.134   1.215  25.356
  178   2H5*    G  17          2H5*        G  17  11.135   0.891  23.960
  179    H4*    G  17           H4*        G  17  10.179  -1.121  23.988
  180    H3*    G  17           H3*        G  17   9.426   0.508  21.686
  181    H1*    G  17           H1*        G  17   7.338  -2.133  23.800
  182    H8     G  17           H8         G  17   5.992   1.548  23.747
  183    H1     G  17           H1         G  17   1.684  -3.106  24.978
  184   1H2     G  17          1H2         G  17   3.037  -5.284  25.131
  185   2H2     G  17          2H2         G  17   4.669  -5.128  24.451
  186   1H2*    G  17          1H2*        G  17   7.097   0.339  22.072
  187   2H2*    G  17          2H2*        G  17   7.176  -1.269  21.582
  188   1H5*    G  18          1H5*        G  18   8.316  -3.882  22.485
  189   2H5*    G  18          2H5*        G  18   9.267  -4.973  21.465
  190    H4*    G  18           H4*        G  18   7.335  -5.927  21.881
  191    H3*    G  18           H3*        G  18   7.335  -5.310  19.108
  192    H1*    G  18           H1*        G  18   4.658  -6.121  21.862
  193    H8     G  18           H8         G  18   5.069  -2.475  21.296
  194    H1     G  18           H1         G  18  -1.200  -4.181  21.586
  195   1H2     G  18          1H2         G  18  -1.238  -6.452  21.990
  196   2H2     G  18          2H2         G  18   0.230  -7.406  22.075
  197   1H2*    G  18          1H2*        G  18   5.006  -4.674  19.206
  198   2H2*    G  18          2H2*        G  18   4.723  -6.372  19.623
  199   1H5*    T  19          1H5*        T  19   4.809  -8.985  20.121
  200   2H5*    T  19          2H5*        T  19   5.052 -10.289  18.912
  201    H4*    T  19           H4*        T  19   2.758 -10.114  19.477
  202    H3*    T  19           H3*        T  19   3.569  -9.800  16.666
  203   1H2*    T  19          1H2*        T  19   2.522  -7.626  16.373
  204   2H2*    T  19          2H2*        T  19   1.084  -8.540  16.255
  205    H1*    T  19           H1*        T  19   0.416  -8.413  18.445
  206    H3     T  19           H3         T  19  -1.263  -4.271  18.618
  207   1H5M    T  19          1H5M        T  19   3.277  -2.928  18.472
  208   2H5M    T  19          2H5M        T  19   3.871  -3.802  16.881
  209   3H5M    T  19          3H5M        T  19   2.561  -2.512  16.992
  210    H6     T  19           H6         T  19   3.164  -5.898  17.828
  211   1H5*    A  20          1H5*        A  20  -0.763 -10.458  17.018
  212   2H5*    A  20          2H5*        A  20  -1.277 -11.786  15.972
  213    H4*    A  20           H4*        A  20  -3.048 -10.169  15.673
  214    H3*    A  20           H3*        A  20  -0.983  -9.807  13.450
  215    H1*    A  20           H1*        A  20  -3.623  -7.631  15.544
  216    H8     A  20           H8         A  20   0.144  -6.593  14.955
  217   1H6     A  20          1H6         A  20  -2.308  -0.827  15.063
  218   2H6     A  20          2H6         A  20  -0.749  -1.734  14.979
  219    H2     A  20           H2         A  20  -5.618  -3.467  15.117
  220   1H2*    A  20          1H2*        A  20  -2.048  -7.643  12.951
  221   2H2*    A  20          2H2*        A  20  -3.701  -8.431  13.382
  222   1H5*    C  21          1H5*        C  21  -5.354  -9.925  12.151
  223   2H5*    C  21          2H5*        C  21  -5.498 -10.296  10.419
  224    H4*    C  21           H4*        C  21  -6.838  -8.227  11.178
  225    H3*    C  21           H3*        C  21  -4.778  -8.295   9.041
  226    H1*    C  21           H1*        C  21  -6.220  -5.381  11.618
  227   1H4     C  21          1H4         C  21  -1.408  -1.675  12.506
  228   2H4     C  21          2H4         C  21  -0.150  -2.973  12.031
  229    H5     C  21           H5         C  21  -0.799  -5.115  11.130
  230    H6     C  21           H6         C  21  -2.686  -6.534  10.779
  231   1H2*    C  21          1H2*        C  21  -4.562  -5.946   9.162
  232   2H2*    C  21          2H2*        C  21  -6.332  -5.751   9.377
  233   1H5*    T  22          1H5*        T  22  -8.788  -5.808   8.900
  234   2H5*    T  22          2H5*        T  22  -9.546  -5.908   7.211
  235    H4*    T  22           H4*        T  22  -9.600  -3.674   8.231
  236    H3*    T  22           H3*        T  22  -8.239  -4.129   5.608
  237   1H2*    T  22          1H2*        T  22  -6.522  -2.676   5.876
  238   2H2*    T  22          2H2*        T  22  -7.509  -1.402   6.221
  239    H1*    T  22           H1*        T  22  -7.711  -1.469   8.343
  240    H3     T  22           H3         T  22  -3.566  -0.076   9.215
  241   1H5M    T  22          1H5M        T  22  -1.832  -3.913   6.818
  242   2H5M    T  22          2H5M        T  22  -2.005  -4.922   8.228
  243   3H5M    T  22          3H5M        T  22  -3.211  -5.054   6.872
  244    H6     T  22           H6         T  22  -5.227  -4.173   7.400
  245   1H5*    T  23          1H5*        T  23  -9.187   0.221   6.520
  246   2H5*    T  23          2H5*        T  23 -10.527   0.745   5.494
  247    H4*    T  23           H4*        T  23  -9.186   2.686   5.746
  248    H3*    T  23           H3*        T  23  -9.257   1.644   3.032
  249   1H2*    T  23          1H2*        T  23  -7.032   1.160   2.910
  250   2H2*    T  23          2H2*        T  23  -6.774   2.882   2.740
  251    H1*    T  23           H1*        T  23  -6.480   3.348   4.780
  252    H3     T  23           H3         T  23  -2.057   2.613   5.363
  253   1H5M    T  23          1H5M        T  23  -2.768  -1.839   4.096
  254   2H5M    T  23          2H5M        T  23  -3.744  -2.240   5.561
  255   3H5M    T  23          3H5M        T  23  -4.603  -1.970   3.980
  256    H6     T  23           H6         T  23  -5.877  -0.299   4.689
  257   1H5*    T  24          1H5*        T  24  -7.792   5.973   4.326
  258   2H5*    T  24          2H5*        T  24  -8.405   7.095   3.264
  259    H4*    T  24           H4*        T  24  -6.237   7.869   3.978
  260    H3*    T  24           H3*        T  24  -6.864   7.821   1.274
  261   1H2*    T  24          1H2*        T  24  -5.354   5.914   0.949
  262   2H2*    T  24          2H2*        T  24  -4.151   7.123   0.725
  263    H1*    T  24           H1*        T  24  -3.539   7.179   3.043
  264    H3     T  24           H3         T  24  -0.047   4.408   2.458
  265   1H5M    T  24          1H5M        T  24  -2.957   1.383   0.237
  266   2H5M    T  24          2H5M        T  24  -3.547   1.001   1.777
  267   3H5M    T  24          3H5M        T  24  -4.534   1.977   0.731
  268    H6     T  24           H6         T  24  -4.769   3.822   1.960
  269   1H5*    G  25          1H5*        G  25  -2.430   9.904   2.755
  270   2H5*    G  25          2H5*        G  25  -2.533  11.327   1.646
  271    H4*    G  25           H4*        G  25  -0.373  10.685   1.823
  272    H3*    G  25           H3*        G  25  -1.857  11.134  -0.546
  273    H1*    G  25           H1*        G  25   0.930   8.770  -0.136
  274    H8     G  25           H8         G  25  -2.321   6.705  -0.836
  275    H1     G  25           H1         G  25   3.294   3.533  -1.096
  276   1H2     G  25          1H2         G  25   4.939   4.905  -0.408
  277   2H2     G  25          2H2         G  25   4.498   6.587  -0.145
  278   1H2*    G  25          1H2*        G  25  -1.739   9.044  -1.432
  279   2H2*    G  25          2H2*        G  25  -0.101   9.559  -1.887
  280   1H5*    G  26          1H5*        G  26   2.707  11.524  -0.490
  281   2H5*    G  26          2H5*        G  26   3.303  12.798  -1.566
  282    H4*    G  26           H4*        G  26   4.989  11.232  -1.585
  283    H3*    G  26           H3*        G  26   3.623  11.843  -4.040
  284    H1*    G  26           H1*        G  26   5.260   8.581  -2.906
  285    H8     G  26           H8         G  26   1.598   8.258  -3.555
  286    H1     G  26           H1         G  26   5.287   3.071  -4.466
  287   1H2     G  26          1H2         G  26   7.287   3.532  -3.799
  288   2H2     G  26          2H2         G  26   7.682   4.937  -2.939
  289    H3T    G  26           H3T        G  26   6.265  10.882  -3.805
  290   1H2*    G  26          1H2*        G  26   3.007   9.800  -4.532
  291   2H2*    G  26          2H2*        G  26   4.603   9.536  -5.054
  Start of MODEL    3
    1   1H5*    C   1          1H5*        C   1   9.345  -5.187  -5.960
    2   2H5*    C   1          2H5*        C   1   9.607  -5.651  -4.337
    3    H4*    C   1           H4*        C   1  10.011  -3.210  -4.733
    4    H3*    C   1           H3*        C   1   7.808  -3.927  -2.967
    5    H1*    C   1           H1*        C   1   8.727  -0.816  -5.048
    6   1H4     C   1          1H4         C   1   2.875   1.466  -5.717
    7   2H4     C   1          2H4         C   1   2.282  -0.123  -6.509
    8    H5     C   1           H5         C   1   3.638  -2.228  -6.635
    9    H6     C   1           H6         C   1   5.979  -2.833  -6.043
   10    H5T    C   1           H5T        C   1   7.197  -5.291  -5.777
   11   1H2*    C   1          1H2*        C   1   6.716  -2.084  -3.140
   12   2H2*    C   1          2H2*        C   1   8.339  -1.058  -2.900
   13   1H5*    C   2          1H5*        C   2   9.737  -0.433  -1.525
   14   2H5*    C   2          2H5*        C   2  10.766  -1.005  -0.124
   15    H4*    C   2           H4*        C   2  10.250   1.247   0.221
   16    H3*    C   2           H3*        C   2   9.590  -0.520   2.275
   17    H1*    C   2           H1*        C   2   7.238   2.193   0.951
   18   1H4     C   2          1H4         C   2   1.487   0.910  -1.718
   19   2H4     C   2          2H4         C   2   2.240  -0.451  -2.576
   20    H5     C   2           H5         C   2   4.450  -1.190  -2.219
   21    H6     C   2           H6         C   2   6.634  -0.723  -1.092
   22   1H2*    C   2          1H2*        C   2   7.297  -0.723   1.831
   23   2H2*    C   2          2H2*        C   2   7.237   0.771   2.699
   24   1H5*    A   3          1H5*        A   3   9.735   4.195   5.996
   25   2H5*    A   3          2H5*        A   3   8.192   3.431   5.986
   26    H4*    A   3           H4*        A   3   9.181   5.978   4.617
   27    H3*    A   3           H3*        A   3   8.201   5.516   7.067
   28    H1*    A   3           H1*        A   3   5.538   6.291   4.224
   29    H8     A   3           H8         A   3   6.498   2.348   4.528
   30   1H6     A   3          1H6         A   3   0.708   1.714   2.542
   31   2H6     A   3          2H6         A   3   2.144   0.997   3.264
   32    H2     A   3           H2         A   3   1.261   5.995   3.545
   33   1H2*    A   3          1H2*        A   3   6.155   4.664   6.627
   34   2H2*    A   3          2H2*        A   3   5.765   6.383   6.425
   35   1H5*    A   4          1H5*        A   4   5.429   9.053   6.240
   36   2H5*    A   4          2H5*        A   4   5.808  10.194   7.567
   37    H4*    A   4           H4*        A   4   3.543  10.034   7.557
   38    H3*    A   4           H3*        A   4   4.872   9.414   9.909
   39    H1*    A   4           H1*        A   4   1.517   7.800   8.708
   40    H8     A   4           H8         A   4   4.599   5.292   8.262
   41   1H6     A   4          1H6         A   4   0.182   1.556   6.054
   42   2H6     A   4          2H6         A   4   1.943   1.654   6.100
   43    H2     A   4           H2         A   4  -1.748   5.183   7.347
   44   1H2*    A   4          1H2*        A   4   4.391   7.241   9.756
   45   2H2*    A   4          2H2*        A   4   2.900   7.764  10.717
   46   1H5*    A   5          1H5*        A   5   0.282   9.903   9.755
   47   2H5*    A   5          2H5*        A   5  -0.092  11.004  11.142
   48    H4*    A   5           H4*        A   5  -1.897   9.368  10.900
   49    H3*    A   5           H3*        A   5  -0.406   9.613  13.322
   50    H1*    A   5           H1*        A   5  -2.082   6.785  11.573
   51    H8     A   5           H8         A   5   1.685   5.723  11.927
   52   1H6     A   5          1H6         A   5  -0.441   0.431   9.503
   53   2H6     A   5          2H6         A   5   0.976   1.133  10.246
   54    H2     A   5           H2         A   5  -3.816   3.057   9.874
   55   1H2*    A   5          1H2*        A   5   0.493   7.382  13.142
   56   2H2*    A   5          2H2*        A   5  -0.977   7.027  14.024
   57   1H5*    G   6          1H5*        G   6  -5.149   7.718  12.804
   58   2H5*    G   6          2H5*        G   6  -5.953   8.339  14.221
   59    H4*    G   6           H4*        G   6  -6.870   6.105  14.002
   60    H3*    G   6           H3*        G   6  -5.853   6.750  16.388
   61    H1*    G   6           H1*        G   6  -5.688   3.438  14.440
   62    H8     G   6           H8         G   6  -2.023   4.889  14.724
   63    H1     G   6           H1         G   6  -2.542  -0.935  12.275
   64   1H2     G   6          1H2         G   6  -4.790  -1.533  12.448
   65   2H2     G   6          2H2         G   6  -6.012  -0.225  12.481
   66   1H2*    G   6          1H2*        G   6  -3.925   5.217  16.265
   67   2H2*    G   6          2H2*        G   6  -4.958   3.988  16.680
   68   1H5*  B1P   7          1H5*      B1P   7  -8.238   2.660  17.753
   69   2H5*  B1P   7          2H5*      B1P   7  -8.793   2.964  16.134
   70    H4*  B1P   7           H4*      B1P   7 -10.646   2.386  18.383
   71    H1*  B1P   7           H1*      B1P   7 -12.459   1.238  15.684
   72   HO1*  B1P   7          HO1*      B1P   7 -10.909   3.006  14.354
   73   1H2*  B1P   7          1H2*      B1P   7  -9.478   1.126  15.071
   74   2H2*  B1P   7          2H2*      B1P   7 -10.549  -0.264  15.190
   75    H3*  B1P   7           H3*      B1P   7  -9.216   0.403  17.368
   76   1H5*    A   8          1H5*        A   8 -10.932  -2.561  17.261
   77   2H5*    A   8          2H5*        A   8 -11.965  -3.049  18.644
   78    H4*    A   8           H4*        A   8 -10.768  -4.905  17.823
   79    H3*    A   8           H3*        A   8 -10.439  -3.916  20.560
   80    H1*    A   8           H1*        A   8  -7.543  -5.433  18.589
   81    H8     A   8           H8         A   8  -7.592  -1.632  17.779
   82   1H6     A   8          1H6         A   8  -1.455  -2.198  18.186
   83   2H6     A   8          2H6         A   8  -2.797  -1.049  18.278
   84    H2     A   8           H2         A   8  -3.074  -6.128  18.693
   85   1H2*    A   8          1H2*        A   8  -8.287  -3.128  20.365
   86   2H2*    A   8          2H2*        A   8  -7.942  -4.798  20.747
   87   1H5*    C   9          1H5*        C   9  -8.284  -7.888  20.242
   88   2H5*    C   9          2H5*        C   9  -8.518  -8.791  21.667
   89    H4*    C   9           H4*        C   9  -6.148  -8.648  21.467
   90    H3*    C   9           H3*        C   9  -7.581  -7.417  23.845
   91    H1*    C   9           H1*        C   9  -4.169  -7.233  21.953
   92   1H4     C   9          1H4         C   9  -1.814  -1.511  21.394
   93   2H4     C   9          2H4         C   9  -3.397  -0.627  21.384
   94    H5     C   9           H5         C   9  -5.341  -1.832  21.657
   95    H6     C   9           H6         C   9  -6.275  -4.003  22.287
   96   1H2*    C   9          1H2*        C   9  -5.678  -5.994  24.147
   97   2H2*    C   9          2H2*        C   9  -4.558  -7.356  24.051
   98   1H5*    C  10          1H5*        C  10  -3.617  -9.721  24.049
   99   2H5*    C  10          2H5*        C  10  -3.326 -10.812  25.482
  100    H4*    C  10           H4*        C  10  -1.312  -9.574  24.838
  101    H3*    C  10           H3*        C  10  -2.684  -8.586  27.301
  102    H1*    C  10           H1*        C  10  -0.123  -7.303  24.832
  103   1H4     C  10          1H4         C  10  -0.235  -1.323  24.825
  104   2H4     C  10          2H4         C  10  -1.903  -0.880  24.910
  105    H5     C  10           H5         C  10  -3.414  -3.038  25.339
  106    H6     C  10           H6         C  10  -3.319  -5.499  25.415
  107   1H2*    C  10          1H2*        C  10  -1.745  -6.469  27.172
  108   2H2*    C  10          2H2*        C  10  -0.129  -7.310  27.065
  109   1H5*    G  11          1H5*        G  11   1.925  -9.392  26.819
  110   2H5*    G  11          2H5*        G  11   2.057 -10.754  27.949
  111    H4*    G  11           H4*        G  11   4.072 -10.091  27.479
  112    H3*    G  11           H3*        G  11   3.493  -9.880  30.085
  113    H1*    G  11           H1*        G  11   5.179  -6.720  28.574
  114    H8     G  11           H8         G  11   1.293  -6.693  28.814
  115    H1     G  11           H1         G  11   3.935  -1.045  27.250
  116   1H2     G  11          1H2         G  11   6.110  -1.286  27.051
  117   2H2     G  11          2H2         G  11   6.964  -2.856  27.025
  118   1H2*    G  11          1H2*        G  11   3.041  -7.631  30.324
  119   2H2*    G  11          2H2*        G  11   4.689  -7.444  30.578
  120   1H5*    G  12          1H5*        G  12   7.323  -7.788  29.081
  121   2H5*    G  12          2H5*        G  12   8.709  -8.400  29.990
  122    H4*    G  12           H4*        G  12   9.038  -6.141  29.748
  123    H3*    G  12           H3*        G  12   8.253  -6.801  32.557
  124    H1*    G  12           H1*        G  12   8.008  -3.562  30.415
  125    H8     G  12           H8         G  12   4.781  -5.290  31.746
  126    H1     G  12           H1         G  12   4.180   0.994  30.704
  127   1H2     G  12          1H2         G  12   6.258   1.800  30.146
  128   2H2     G  12          2H2         G  12   7.639   0.715  29.991
  129   1H2*    G  12          1H2*        G  12   7.060  -4.883  32.740
  130   2H2*    G  12          2H2*        G  12   8.560  -4.081  32.529
  131   1H5*    G  13          1H5*        G  13  12.117  -3.372  34.769
  132   2H5*    G  13          2H5*        G  13  10.392  -3.546  34.872
  133    H4*    G  13           H4*        G  13  11.729  -1.546  33.016
  134    H3*    G  13           H3*        G  13  11.549  -1.450  35.944
  135    H1*    G  13           H1*        G  13   9.154   0.469  33.674
  136    H8     G  13           H8         G  13   7.510  -3.001  34.455
  137    H1     G  13           H1         G  13   3.619   2.068  34.468
  138   1H2     G  13          1H2         G  13   4.782   3.784  34.696
  139   2H2     G  13          2H2         G  13   6.548   3.636  34.460
  140    H3T    G  13           H3T        G  13  11.960   0.868  35.583
  141   1H2*    G  13          1H2*        G  13   9.377  -1.456  36.007
  142   2H2*    G  13          2H2*        G  13   9.585   0.276  35.863
  143   1H5*    C  14          1H5*        C  14  -1.317   8.837  36.476
  144   2H5*    C  14          2H5*        C  14  -1.576   9.540  34.779
  145    H4*    C  14           H4*        C  14   0.836   9.748  35.254
  146    H3*    C  14           H3*        C  14  -0.244   8.671  32.937
  147    H1*    C  14           H1*        C  14   2.759   7.084  34.745
  148   1H4     C  14          1H4         C  14   1.592   0.964  34.521
  149   2H4     C  14          2H4         C  14  -0.136   0.971  34.808
  150    H5     C  14           H5         C  14  -1.093   3.231  35.394
  151    H6     C  14           H6         C  14  -0.688   5.647  35.555
  152    H5T    C  14           H5T        C  14  -2.726   7.579  34.950
  153   1H2*    C  14          1H2*        C  14   0.470   6.669  33.007
  154   2H2*    C  14          2H2*        C  14   2.106   7.298  32.705
  155   1H5*    C  15          1H5*        C  15   4.148   9.090  32.862
  156   2H5*    C  15          2H5*        C  15   4.798  10.372  31.659
  157    H4*    C  15           H4*        C  15   6.290   8.712  31.618
  158    H3*    C  15           H3*        C  15   5.074   9.518  29.455
  159    H1*    C  15           H1*        C  15   5.903   5.844  30.254
  160   1H4     C  15          1H4         C  15   1.879   1.174  31.564
  161   2H4     C  15          2H4         C  15   0.604   2.247  31.605
  162    H5     C  15           H5         C  15   0.604   4.552  30.928
  163    H6     C  15           H6         C  15   2.033   6.263  30.378
  164   1H2*    C  15          1H2*        C  15   3.511   7.642  29.196
  165   2H2*    C  15          2H2*        C  15   4.928   7.000  28.211
  166   1H5*    C  16          1H5*        C  16   7.824   6.010  29.185
  167   2H5*    C  16          2H5*        C  16   9.309   6.493  28.345
  168    H4*    C  16           H4*        C  16   9.056   4.099  27.995
  169    H3*    C  16           H3*        C  16   8.493   5.827  25.630
  170    H1*    C  16           H1*        C  16   7.397   2.422  27.015
  171   1H4     C  16          1H4         C  16   1.417   0.165  27.714
  172   2H4     C  16          2H4         C  16   0.812   1.773  27.787
  173    H5     C  16           H5         C  16   2.149   3.860  27.539
  174    H6     C  16           H6         C  16   4.402   4.665  27.358
  175   1H2*    C  16          1H2*        C  16   6.298   4.624  25.342
  176   2H2*    C  16          2H2*        C  16   7.356   3.179  24.860
  177   1H5*    G  17          1H5*        G  17   9.519   1.271  25.713
  178   2H5*    G  17          2H5*        G  17  10.997   1.172  24.885
  179    H4*    G  17           H4*        G  17   9.923  -0.862  24.367
  180    H3*    G  17           H3*        G  17  10.095   0.685  22.064
  181    H1*    G  17           H1*        G  17   7.303  -1.713  23.079
  182    H8     G  17           H8         G  17   5.779   1.874  23.014
  183    H1     G  17           H1         G  17   1.845  -3.011  24.506
  184   1H2     G  17          1H2         G  17   2.967  -4.889  24.598
  185   2H2     G  17          2H2         G  17   4.679  -4.878  24.143
  186   1H2*    G  17          1H2*        G  17   7.722   1.018  21.844
  187   2H2*    G  17          2H2*        G  17   7.747  -0.660  21.077
  188   1H5*    G  18          1H5*        G  18   9.174  -3.988  21.853
  189   2H5*    G  18          2H5*        G  18   9.795  -4.723  20.389
  190    H4*    G  18           H4*        G  18   7.739  -5.892  20.545
  191    H3*    G  18           H3*        G  18   7.714  -3.672  18.459
  192    H1*    G  18           H1*        G  18   5.034  -5.632  20.686
  193    H8     G  18           H8         G  18   5.402  -1.884  20.788
  194    H1     G  18           H1         G  18  -0.659  -3.841  21.141
  195   1H2     G  18          1H2         G  18  -0.480  -6.192  21.416
  196   2H2     G  18          2H2         G  18   0.947  -6.983  20.942
  197   1H2*    G  18          1H2*        G  18   5.396  -3.949  18.182
  198   2H2*    G  18          2H2*        G  18   5.366  -5.663  18.446
  199   1H5*    T  19          1H5*        T  19   6.166  -8.027  17.629
  200   2H5*    T  19          2H5*        T  19   6.608  -8.791  16.101
  201    H4*    T  19           H4*        T  19   4.335  -9.409  16.525
  202    H3*    T  19           H3*        T  19   5.042  -7.835  14.297
  203   1H2*    T  19          1H2*        T  19   3.006  -6.270  14.546
  204   2H2*    T  19          2H2*        T  19   1.953  -7.608  14.508
  205    H1*    T  19           H1*        T  19   1.788  -7.935  16.601
  206    H3     T  19           H3         T  19  -0.957  -4.627  17.666
  207   1H5M    T  19          1H5M        T  19   3.622  -2.305  16.164
  208   2H5M    T  19          2H5M        T  19   2.366  -1.451  17.120
  209   3H5M    T  19          3H5M        T  19   3.621  -2.246  17.990
  210    H6     T  19           H6         T  19   3.857  -4.800  16.578
  211   1H5*    A  20          1H5*        A  20   1.273 -10.460  14.940
  212   2H5*    A  20          2H5*        A  20   1.176 -11.701  13.786
  213    H4*    A  20           H4*        A  20  -1.168 -11.458  14.273
  214    H3*    A  20           H3*        A  20  -0.448 -10.800  11.675
  215    H1*    A  20           H1*        A  20  -3.124  -9.094  13.943
  216    H8     A  20           H8         A  20  -0.089  -6.600  13.415
  217   1H6     A  20          1H6         A  20  -4.753  -2.656  14.877
  218   2H6     A  20          2H6         A  20  -2.995  -2.790  14.516
  219    H2     A  20           H2         A  20  -6.316  -6.600  15.185
  220   1H2*    A  20          1H2*        A  20  -0.594  -8.521  12.093
  221   2H2*    A  20          2H2*        A  20  -2.217  -8.776  11.571
  222   1H5*    C  21          1H5*        C  21  -4.583  -9.432  12.114
  223   2H5*    C  21          2H5*        C  21  -5.778  -9.875  10.891
  224    H4*    C  21           H4*        C  21  -5.873  -7.525  11.555
  225    H3*    C  21           H3*        C  21  -4.747  -7.985   8.849
  226    H1*    C  21           H1*        C  21  -4.807  -5.361  11.833
  227   1H4     C  21          1H4         C  21  -0.174  -1.458  12.193
  228   2H4     C  21          2H4         C  21   0.956  -2.646  11.354
  229    H5     C  21           H5         C  21   0.317  -4.960  10.817
  230    H6     C  21           H6         C  21  -1.600  -6.485  10.627
  231   1H2*    C  21          1H2*        C  21  -4.092  -5.715   8.859
  232   2H2*    C  21          2H2*        C  21  -5.708  -5.330   9.517
  233   1H5*    T  22          1H5*        T  22  -8.348  -5.047   9.515
  234   2H5*    T  22          2H5*        T  22  -9.217  -4.880   7.881
  235    H4*    T  22           H4*        T  22  -8.849  -2.649   8.723
  236    H3*    T  22           H3*        T  22  -7.400  -3.447   6.281
  237   1H2*    T  22          1H2*        T  22  -6.180  -1.495   6.340
  238   2H2*    T  22          2H2*        T  22  -7.414  -0.611   7.062
  239    H1*    T  22           H1*        T  22  -6.847  -0.886   9.064
  240    H3     T  22           H3         T  22  -2.635   0.641   8.957
  241   1H5M    T  22          1H5M        T  22  -2.360  -4.035   6.700
  242   2H5M    T  22          2H5M        T  22  -0.971  -3.525   7.620
  243   3H5M    T  22          3H5M        T  22  -2.206  -4.520   8.429
  244    H6     T  22           H6         T  22  -4.630  -3.537   7.931
  245   1H5*    T  23          1H5*        T  23  -9.455   0.438   6.740
  246   2H5*    T  23          2H5*        T  23 -10.423   0.896   5.386
  247    H4*    T  23           H4*        T  23  -9.242   2.975   6.049
  248    H3*    T  23           H3*        T  23  -8.997   2.098   3.396
  249   1H2*    T  23          1H2*        T  23  -6.705   2.049   3.301
  250   2H2*    T  23          2H2*        T  23  -6.688   3.723   3.444
  251    H1*    T  23           H1*        T  23  -6.445   3.953   5.782
  252    H3     T  23           H3         T  23  -1.879   2.998   5.707
  253   1H5M    T  23          1H5M        T  23  -3.383  -1.857   5.226
  254   2H5M    T  23          2H5M        T  23  -4.715  -1.499   4.084
  255   3H5M    T  23          3H5M        T  23  -3.050  -1.269   3.499
  256    H6     T  23           H6         T  23  -5.906   0.373   4.786
  257   1H5*    T  24          1H5*        T  24  -7.763   6.313   4.647
  258   2H5*    T  24          2H5*        T  24  -8.440   7.504   3.685
  259    H4*    T  24           H4*        T  24  -6.180   8.290   4.326
  260    H3*    T  24           H3*        T  24  -7.037   8.177   1.437
  261   1H2*    T  24          1H2*        T  24  -5.360   6.532   0.799
  262   2H2*    T  24          2H2*        T  24  -4.343   7.921   0.858
  263    H1*    T  24           H1*        T  24  -3.523   7.451   2.928
  264    H3     T  24           H3         T  24  -0.564   3.959   3.140
  265   1H5M    T  24          1H5M        T  24  -5.289   1.765   1.149
  266   2H5M    T  24          2H5M        T  24  -4.078   1.992  -0.011
  267   3H5M    T  24          3H5M        T  24  -3.772   0.878   1.326
  268    H6     T  24           H6         T  24  -5.156   4.134   1.615
  269   1H5*    G  25          1H5*        G  25  -3.093  10.026   2.842
  270   2H5*    G  25          2H5*        G  25  -2.703  11.501   1.852
  271    H4*    G  25           H4*        G  25  -0.706  10.217   1.985
  272    H3*    G  25           H3*        G  25  -1.877  11.030  -0.516
  273    H1*    G  25           H1*        G  25   0.524   8.326   0.838
  274    H8     G  25           H8         G  25  -2.691   6.574  -0.849
  275    H1     G  25           H1         G  25   2.589   3.033  -0.127
  276   1H2     G  25          1H2         G  25   4.215   4.319   0.836
  277   2H2     G  25          2H2         G  25   3.934   6.061   0.743
  278   1H2*    G  25          1H2*        G  25  -1.121   8.884  -1.492
  279   2H2*    G  25          2H2*        G  25   0.323   9.409  -1.111
  280   1H5*    G  26          1H5*        G  26   2.691  10.461   0.162
  281   2H5*    G  26          2H5*        G  26   3.552  11.872  -0.358
  282    H4*    G  26           H4*        G  26   5.026  10.174  -0.774
  283    H3*    G  26           H3*        G  26   3.981  11.270  -3.111
  284    H1*    G  26           H1*        G  26   5.278   7.866  -2.248
  285    H8     G  26           H8         G  26   1.539   7.936  -3.348
  286    H1     G  26           H1         G  26   4.407   2.328  -4.353
  287   1H2     G  26          1H2         G  26   6.645   2.584  -3.408
  288   2H2     G  26          2H2         G  26   7.076   4.149  -2.815
  289    H3T    G  26           H3T        G  26   6.059  11.755  -2.407
  290   1H2*    G  26          1H2*        G  26   3.514   9.233  -4.159
  291   2H2*    G  26          2H2*        G  26   5.269   8.957  -4.260
  Start of MODEL    4
    1   1H5*    C   1          1H5*        C   1  10.000  -4.271  -6.157
    2   2H5*    C   1          2H5*        C   1  10.727  -4.809  -4.567
    3    H4*    C   1           H4*        C   1  10.357  -2.382  -4.336
    4    H3*    C   1           H3*        C   1   8.391  -3.999  -2.670
    5    H1*    C   1           H1*        C   1   8.615  -0.503  -4.582
    6   1H4     C   1          1H4         C   1   2.459   1.196  -4.771
    7   2H4     C   1          2H4         C   1   1.886  -0.326  -4.610
    8    H5     C   1           H5         C   1   3.519  -2.348  -4.342
    9    H6     C   1           H6         C   1   5.856  -2.958  -4.261
   10    H5T    C   1           H5T        C   1   9.334  -6.146  -4.988
   11   1H2*    C   1          1H2*        C   1   7.281  -2.008  -2.412
   12   2H2*    C   1          2H2*        C   1   8.808  -0.981  -2.359
   13   1H5*    C   2          1H5*        C   2  11.012  -0.266  -1.263
   14   2H5*    C   2          2H5*        C   2  11.472  -0.606   0.479
   15    H4*    C   2           H4*        C   2  10.706   1.705   0.281
   16    H3*    C   2           H3*        C   2   9.109  -0.203   1.715
   17    H1*    C   2           H1*        C   2   8.003   3.042  -0.232
   18   1H4     C   2          1H4         C   2   2.087   1.518  -1.232
   19   2H4     C   2          2H4         C   2   2.530  -0.276  -1.151
   20    H5     C   2           H5         C   2   4.614  -1.146  -0.786
   21    H6     C   2           H6         C   2   7.024  -0.463  -0.264
   22   1H2*    C   2          1H2*        C   2   7.268   1.149   1.899
   23   2H2*    C   2          2H2*        C   2   8.160   2.587   2.124
   24   1H5*    A   3          1H5*        A   3   9.850   3.686   6.039
   25   2H5*    A   3          2H5*        A   3   8.245   3.031   5.713
   26    H4*    A   3           H4*        A   3   9.499   5.600   4.712
   27    H3*    A   3           H3*        A   3   8.211   5.184   7.148
   28    H1*    A   3           H1*        A   3   5.978   6.411   4.122
   29    H8     A   3           H8         A   3   6.578   2.554   3.906
   30   1H6     A   3          1H6         A   3   0.719   2.039   2.546
   31   2H6     A   3          2H6         A   3   2.349   1.300   2.686
   32    H2     A   3           H2         A   3   1.363   6.365   3.229
   33   1H2*    A   3          1H2*        A   3   6.421   4.374   6.357
   34   2H2*    A   3          2H2*        A   3   5.864   6.154   6.294
   35   1H5*    A   4          1H5*        A   4   5.901   8.727   6.387
   36   2H5*    A   4          2H5*        A   4   6.047   9.973   7.644
   37    H4*    A   4           H4*        A   4   3.724   9.629   7.687
   38    H3*    A   4           H3*        A   4   5.074   8.706  10.095
   39    H1*    A   4           H1*        A   4   1.821   7.326   8.405
   40    H8     A   4           H8         A   4   4.962   4.834   8.182
   41   1H6     A   4          1H6         A   4   0.505   1.169   5.629
   42   2H6     A   4          2H6         A   4   1.981   1.125   6.540
   43    H2     A   4           H2         A   4  -1.301   5.150   6.275
   44   1H2*    A   4          1H2*        A   4   4.535   6.510   9.768
   45   2H2*    A   4          2H2*        A   4   2.979   7.022  10.485
   46   1H5*    A   5          1H5*        A   5   0.271   9.154   9.999
   47   2H5*    A   5          2H5*        A   5  -0.027  10.355  11.239
   48    H4*    A   5           H4*        A   5  -1.864   9.341  10.759
   49    H3*    A   5           H3*        A   5  -0.926   9.262  13.346
   50    H1*    A   5           H1*        A   5  -2.623   6.229  11.751
   51    H8     A   5           H8         A   5   1.219   5.734  11.752
   52   1H6     A   5          1H6         A   5  -0.557   0.556   8.505
   53   2H6     A   5          2H6         A   5   0.856   1.326   9.096
   54    H2     A   5           H2         A   5  -4.151   2.653   9.673
   55   1H2*    A   5          1H2*        A   5  -0.065   7.086  13.278
   56   2H2*    A   5          2H2*        A   5  -1.625   6.754  14.028
   57   1H5*    G   6          1H5*        G   6  -5.396   7.496  12.826
   58   2H5*    G   6          2H5*        G   6  -6.265   8.371  14.154
   59    H4*    G   6           H4*        G   6  -7.339   6.493  13.845
   60    H3*    G   6           H3*        G   6  -6.306   6.945  16.467
   61    H1*    G   6           H1*        G   6  -6.253   3.354  14.706
   62    H8     G   6           H8         G   6  -2.711   4.706  14.836
   63    H1     G   6           H1         G   6  -3.371  -1.174  12.353
   64   1H2     G   6          1H2         G   6  -5.417  -1.729  12.341
   65   2H2     G   6          2H2         G   6  -6.711  -0.681  12.366
   66   1H2*    G   6          1H2*        G   6  -4.586   5.292  16.234
   67   2H2*    G   6          2H2*        G   6  -5.946   4.145  16.797
   68   1H5*  B1P   7          1H5*      B1P   7  -8.554   2.697  17.437
   69   2H5*  B1P   7          2H5*      B1P   7  -8.752   3.459  15.871
   70    H4*  B1P   7           H4*      B1P   7 -10.993   2.354  17.665
   71    H1*  B1P   7           H1*      B1P   7 -12.402   1.238  15.190
   72   HO1*  B1P   7          HO1*      B1P   7 -10.975   2.838  13.373
   73   1H2*  B1P   7          1H2*      B1P   7  -9.395   1.657  14.452
   74   2H2*  B1P   7          2H2*      B1P   7 -10.380   0.176  14.307
   75    H3*  B1P   7           H3*      B1P   7  -9.219   0.554  16.726
   76   1H5*    A   8          1H5*        A   8  -9.717  -2.693  16.093
   77   2H5*    A   8          2H5*        A   8 -11.138  -3.328  17.018
   78    H4*    A   8           H4*        A   8  -9.883  -5.105  17.185
   79    H3*    A   8           H3*        A   8  -9.953  -3.681  19.616
   80    H1*    A   8           H1*        A   8  -6.676  -5.330  18.223
   81    H8     A   8           H8         A   8  -7.187  -1.363  18.102
   82   1H6     A   8          1H6         A   8  -1.060  -1.448  17.807
   83   2H6     A   8          2H6         A   8  -2.590  -0.446  17.948
   84    H2     A   8           H2         A   8  -2.301  -5.553  18.433
   85   1H2*    A   8          1H2*        A   8  -7.806  -3.238  19.891
   86   2H2*    A   8          2H2*        A   8  -7.536  -5.066  20.206
   87   1H5*    C   9          1H5*        C   9  -7.721  -7.709  20.204
   88   2H5*    C   9          2H5*        C   9  -8.688  -8.566  21.492
   89    H4*    C   9           H4*        C   9  -6.516  -9.071  21.810
   90    H3*    C   9           H3*        C   9  -7.869  -7.758  23.760
   91    H1*    C   9           H1*        C   9  -4.187  -7.261  22.857
   92   1H4     C   9          1H4         C   9  -1.813  -1.558  21.426
   93   2H4     C   9          2H4         C   9  -3.420  -0.870  21.342
   94    H5     C   9           H5         C   9  -5.407  -2.082  21.548
   95    H6     C   9           H6         C   9  -6.353  -4.229  22.084
   96   1H2*    C   9          1H2*        C   9  -6.505  -5.770  24.015
   97   2H2*    C   9          2H2*        C   9  -5.295  -6.818  24.676
   98   1H5*    C  10          1H5*        C  10  -3.674  -9.948  24.320
   99   2H5*    C  10          2H5*        C  10  -3.630 -10.843  25.840
  100    H4*    C  10           H4*        C  10  -1.611 -10.052  25.207
  101    H3*    C  10           H3*        C  10  -2.751  -8.832  27.781
  102    H1*    C  10           H1*        C  10  -0.180  -7.607  24.938
  103   1H4     C  10          1H4         C  10  -0.473  -1.557  24.268
  104   2H4     C  10          2H4         C  10  -2.177  -1.254  24.741
  105    H5     C  10           H5         C  10  -3.434  -3.309  25.566
  106    H6     C  10           H6         C  10  -3.221  -5.746  25.898
  107   1H2*    C  10          1H2*        C  10  -1.451  -6.798  27.625
  108   2H2*    C  10          2H2*        C  10   0.002  -7.634  27.325
  109   1H5*    G  11          1H5*        G  11   1.788  -9.856  26.942
  110   2H5*    G  11          2H5*        G  11   2.088 -11.064  28.248
  111    H4*    G  11           H4*        G  11   4.186 -10.033  27.650
  112    H3*    G  11           H3*        G  11   3.706 -10.021  30.336
  113    H1*    G  11           H1*        G  11   4.857  -6.911  28.470
  114    H8     G  11           H8         G  11   1.053  -6.490  29.550
  115    H1     G  11           H1         G  11   3.975  -1.202  27.347
  116   1H2     G  11          1H2         G  11   6.119  -1.730  26.830
  117   2H2     G  11          2H2         G  11   6.716  -3.410  27.079
  118   1H2*    G  11          1H2*        G  11   2.872  -7.853  30.506
  119   2H2*    G  11          2H2*        G  11   4.549  -7.462  30.766
  120   1H5*    G  12          1H5*        G  12   7.267  -7.477  28.515
  121   2H5*    G  12          2H5*        G  12   8.672  -8.027  29.215
  122    H4*    G  12           H4*        G  12   9.018  -5.645  28.938
  123    H3*    G  12           H3*        G  12   8.742  -6.374  31.867
  124    H1*    G  12           H1*        G  12   7.816  -3.327  29.604
  125    H8     G  12           H8         G  12   5.093  -4.947  31.727
  126    H1     G  12           H1         G  12   4.099   1.123  30.140
  127   1H2     G  12          1H2         G  12   6.056   2.002  29.836
  128   2H2     G  12          2H2         G  12   7.480   1.020  29.467
  129   1H2*    G  12          1H2*        G  12   7.628  -4.465  32.346
  130   2H2*    G  12          2H2*        G  12   8.992  -3.589  31.699
  131   1H5*    G  13          1H5*        G  13  12.299  -3.365  34.457
  132   2H5*    G  13          2H5*        G  13  10.560  -3.424  34.642
  133    H4*    G  13           H4*        G  13  12.232  -1.136  33.707
  134    H3*    G  13           H3*        G  13  11.585  -1.740  36.407
  135    H1*    G  13           H1*        G  13   9.600   0.875  34.287
  136    H8     G  13           H8         G  13   7.830  -2.417  34.024
  137    H1     G  13           H1         G  13   4.021   2.645  34.116
  138   1H2     G  13          1H2         G  13   5.102   4.500  34.089
  139   2H2     G  13          2H2         G  13   6.809   4.436  34.376
  140    H3T    G  13           H3T        G  13  12.003   0.574  36.677
  141   1H2*    G  13          1H2*        G  13   9.277  -1.621  35.907
  142   2H2*    G  13          2H2*        G  13   9.568  -0.004  36.657
  143   1H5*    C  14          1H5*        C  14  -1.334   9.094  36.511
  144   2H5*    C  14          2H5*        C  14  -1.584  10.157  35.294
  145    H4*    C  14           H4*        C  14   0.861  10.149  35.665
  146    H3*    C  14           H3*        C  14  -0.245   9.569  33.025
  147    H1*    C  14           H1*        C  14   2.874   7.470  34.812
  148   1H4     C  14          1H4         C  14   2.025   1.627  34.533
  149   2H4     C  14          2H4         C  14   0.393   1.288  35.273
  150    H5     C  14           H5         C  14  -0.791   3.623  35.827
  151    H6     C  14           H6         C  14  -0.474   6.141  35.634
  152    H5T    C  14           H5T        C  14  -2.847   8.444  34.902
  153   1H2*    C  14          1H2*        C  14   0.182   7.239  33.161
  154   2H2*    C  14          2H2*        C  14   1.831   7.805  32.499
  155   1H5*    C  15          1H5*        C  15   4.226   9.126  32.929
  156   2H5*    C  15          2H5*        C  15   4.842  10.246  31.645
  157    H4*    C  15           H4*        C  15   6.123   8.103  31.712
  158    H3*    C  15           H3*        C  15   4.959   9.163  29.345
  159    H1*    C  15           H1*        C  15   5.468   5.706  30.457
  160   1H4     C  15          1H4         C  15   1.496   0.943  30.714
  161   2H4     C  15          2H4         C  15  -0.045   1.915  30.833
  162    H5     C  15           H5         C  15   0.118   4.465  30.708
  163    H6     C  15           H6         C  15   1.717   6.280  30.533
  164   1H2*    C  15          1H2*        C  15   3.301   7.409  29.175
  165   2H2*    C  15          2H2*        C  15   4.585   6.599  28.449
  166   1H5*    C  16          1H5*        C  16   7.931   5.611  28.927
  167   2H5*    C  16          2H5*        C  16   9.066   6.313  27.880
  168    H4*    C  16           H4*        C  16   9.232   3.920  27.770
  169    H3*    C  16           H3*        C  16   8.468   5.265  25.410
  170    H1*    C  16           H1*        C  16   7.552   1.675  26.630
  171   1H4     C  16          1H4         C  16   1.568   0.278  27.452
  172   2H4     C  16          2H4         C  16   1.007   1.976  27.316
  173    H5     C  16           H5         C  16   2.512   3.826  27.046
  174    H6     C  16           H6         C  16   4.893   4.380  26.574
  175   1H2*    C  16          1H2*        C  16   6.518   3.681  24.858
  176   2H2*    C  16          2H2*        C  16   7.721   2.434  24.760
  177   1H5*    G  17          1H5*        G  17   9.703   1.206  25.521
  178   2H5*    G  17          2H5*        G  17  11.078   0.628  24.546
  179    H4*    G  17           H4*        G  17   9.845  -1.267  24.621
  180    H3*    G  17           H3*        G  17   9.973  -0.145  22.035
  181    H1*    G  17           H1*        G  17   7.158  -2.253  23.733
  182    H8     G  17           H8         G  17   6.013   1.369  23.014
  183    H1     G  17           H1         G  17   1.373  -2.858  24.071
  184   1H2     G  17          1H2         G  17   2.314  -4.884  24.281
  185   2H2     G  17          2H2         G  17   4.033  -4.986  24.396
  186   1H2*    G  17          1H2*        G  17   7.854   0.010  21.821
  187   2H2*    G  17          2H2*        G  17   7.864  -1.733  21.607
  188   1H5*    G  18          1H5*        G  18   8.884  -4.724  22.079
  189   2H5*    G  18          2H5*        G  18   9.501  -5.430  20.683
  190    H4*    G  18           H4*        G  18   7.240  -6.157  20.808
  191    H3*    G  18           H3*        G  18   7.924  -4.157  18.690
  192    H1*    G  18           H1*        G  18   4.875  -5.605  20.481
  193    H8     G  18           H8         G  18   5.414  -1.774  20.214
  194    H1     G  18           H1         G  18  -0.756  -3.751  21.347
  195   1H2     G  18          1H2         G  18  -0.627  -5.965  21.223
  196   2H2     G  18          2H2         G  18   0.850  -6.902  21.248
  197   1H2*    G  18          1H2*        G  18   5.578  -3.912  18.276
  198   2H2*    G  18          2H2*        G  18   5.303  -5.631  18.401
  199   1H5*    T  19          1H5*        T  19   5.860  -7.956  18.048
  200   2H5*    T  19          2H5*        T  19   6.486  -8.851  16.815
  201    H4*    T  19           H4*        T  19   4.234  -9.670  17.049
  202    H3*    T  19           H3*        T  19   4.927  -8.649  14.503
  203   1H2*    T  19          1H2*        T  19   3.670  -6.605  14.524
  204   2H2*    T  19          2H2*        T  19   2.321  -7.783  14.247
  205    H1*    T  19           H1*        T  19   1.669  -8.053  16.372
  206    H3     T  19           H3         T  19  -0.539  -4.035  17.371
  207   1H5M    T  19          1H5M        T  19   4.699  -2.889  16.420
  208   2H5M    T  19          2H5M        T  19   3.430  -2.062  15.424
  209   3H5M    T  19          3H5M        T  19   3.548  -1.728  17.180
  210    H6     T  19           H6         T  19   4.076  -5.076  16.464
  211   1H5*    A  20          1H5*        A  20   0.599 -10.171  15.464
  212   2H5*    A  20          2H5*        A  20   0.677 -11.608  14.568
  213    H4*    A  20           H4*        A  20  -1.601 -11.071  14.440
  214    H3*    A  20           H3*        A  20  -0.643 -10.198  11.799
  215    H1*    A  20           H1*        A  20  -3.283  -8.836  14.065
  216    H8     A  20           H8         A  20  -0.331  -6.421  14.131
  217   1H6     A  20          1H6         A  20  -4.637  -2.063  15.273
  218   2H6     A  20          2H6         A  20  -2.954  -2.505  15.272
  219    H2     A  20           H2         A  20  -6.785  -5.958  14.829
  220   1H2*    A  20          1H2*        A  20  -0.997  -7.926  12.254
  221   2H2*    A  20          2H2*        A  20  -2.572  -8.504  11.699
  222   1H5*    C  21          1H5*        C  21  -4.713  -9.729  12.122
  223   2H5*    C  21          2H5*        C  21  -5.700 -10.336  10.851
  224    H4*    C  21           H4*        C  21  -6.446  -8.054  11.441
  225    H3*    C  21           H3*        C  21  -5.031  -8.371   8.719
  226    H1*    C  21           H1*        C  21  -5.859  -5.654  11.268
  227   1H4     C  21          1H4         C  21  -1.215  -1.216  11.390
  228   2H4     C  21          2H4         C  21  -0.166  -2.289  10.348
  229    H5     C  21           H5         C  21  -0.556  -4.693  10.222
  230    H6     C  21           H6         C  21  -2.438  -6.393  10.342
  231   1H2*    C  21          1H2*        C  21  -4.394  -6.143   8.752
  232   2H2*    C  21          2H2*        C  21  -5.993  -5.667   8.903
  233   1H5*    T  22          1H5*        T  22  -8.712  -5.643   9.357
  234   2H5*    T  22          2H5*        T  22  -9.621  -5.213   7.992
  235    H4*    T  22           H4*        T  22  -8.939  -3.099   8.894
  236    H3*    T  22           H3*        T  22  -7.953  -3.713   6.257
  237   1H2*    T  22          1H2*        T  22  -6.281  -2.211   6.476
  238   2H2*    T  22          2H2*        T  22  -7.169  -0.894   7.255
  239    H1*    T  22           H1*        T  22  -6.962  -1.385   9.274
  240    H3     T  22           H3         T  22  -2.665   0.321   8.895
  241   1H5M    T  22          1H5M        T  22  -2.661  -4.740   6.723
  242   2H5M    T  22          2H5M        T  22  -1.708  -3.405   5.995
  243   3H5M    T  22          3H5M        T  22  -1.286  -4.014   7.626
  244    H6     T  22           H6         T  22  -4.748  -3.892   7.621
  245   1H5*    T  23          1H5*        T  23  -9.285   0.437   7.609
  246   2H5*    T  23          2H5*        T  23 -10.227   1.365   6.513
  247    H4*    T  23           H4*        T  23  -8.726   2.774   7.337
  248    H3*    T  23           H3*        T  23  -8.435   2.081   4.344
  249   1H2*    T  23          1H2*        T  23  -6.309   2.520   4.339
  250   2H2*    T  23          2H2*        T  23  -6.455   4.102   4.966
  251    H1*    T  23           H1*        T  23  -5.925   3.487   7.072
  252    H3     T  23           H3         T  23  -1.579   2.208   5.885
  253   1H5M    T  23          1H5M        T  23  -3.120  -2.021   4.636
  254   2H5M    T  23          2H5M        T  23  -4.868  -1.618   4.424
  255   3H5M    T  23          3H5M        T  23  -3.776  -1.073   3.247
  256    H6     T  23           H6         T  23  -5.901   0.173   5.220
  257   1H5*    T  24          1H5*        T  24  -7.271   6.486   5.587
  258   2H5*    T  24          2H5*        T  24  -8.239   7.494   4.521
  259    H4*    T  24           H4*        T  24  -6.117   8.576   4.837
  260    H3*    T  24           H3*        T  24  -7.225   8.133   2.315
  261   1H2*    T  24          1H2*        T  24  -5.745   6.295   1.661
  262   2H2*    T  24          2H2*        T  24  -4.630   7.617   1.379
  263    H1*    T  24           H1*        T  24  -3.743   7.634   3.329
  264    H3     T  24           H3         T  24  -0.478   4.432   3.232
  265   1H5M    T  24          1H5M        T  24  -4.669   2.034   1.276
  266   2H5M    T  24          2H5M        T  24  -3.403   1.152   2.039
  267   3H5M    T  24          3H5M        T  24  -4.881   1.654   3.023
  268    H6     T  24           H6         T  24  -5.305   4.105   2.661
  269   1H5*    G  25          1H5*        G  25  -3.019  10.731   2.621
  270   2H5*    G  25          2H5*        G  25  -3.340  11.762   1.441
  271    H4*    G  25           H4*        G  25  -0.973  11.487   1.617
  272    H3*    G  25           H3*        G  25  -2.264  11.113  -0.877
  273    H1*    G  25           H1*        G  25   0.872   9.331   0.376
  274    H8     G  25           H8         G  25  -2.306   7.110   0.392
  275    H1     G  25           H1         G  25   3.342   4.247  -0.678
  276   1H2     G  25          1H2         G  25   4.887   5.591  -0.345
  277   2H2     G  25          2H2         G  25   4.546   7.295   0.216
  278   1H2*    G  25          1H2*        G  25  -1.810   9.008  -0.883
  279   2H2*    G  25          2H2*        G  25  -0.252   9.459  -1.580
  280   1H5*    G  26          1H5*        G  26   2.563  11.342  -0.657
  281   2H5*    G  26          2H5*        G  26   3.104  12.580  -1.848
  282    H4*    G  26           H4*        G  26   4.685  10.990  -1.594
  283    H3*    G  26           H3*        G  26   3.291  11.529  -4.106
  284    H1*    G  26           H1*        G  26   5.167   8.357  -2.724
  285    H8     G  26           H8         G  26   1.341   8.060  -3.223
  286    H1     G  26           H1         G  26   4.561   2.739  -4.763
  287   1H2     G  26          1H2         G  26   6.671   3.100  -4.360
  288   2H2     G  26          2H2         G  26   7.289   4.709  -3.898
  289    H3T    G  26           H3T        G  26   5.384  12.301  -3.469
  290   1H2*    G  26          1H2*        G  26   3.056   9.361  -4.710
  291   2H2*    G  26          2H2*        G  26   4.778   9.283  -5.019
  Start of MODEL    5
    1   1H5*    C   1          1H5*        C   1  12.293  -3.902  -3.577
    2   2H5*    C   1          2H5*        C   1  10.651  -4.254  -3.824
    3    H4*    C   1           H4*        C   1  11.760  -1.712  -4.771
    4    H3*    C   1           H3*        C   1  10.805  -2.504  -2.099
    5    H1*    C   1           H1*        C   1   9.869  -0.124  -4.645
    6   1H4     C   1          1H4         C   1   3.669   0.594  -4.952
    7   2H4     C   1          2H4         C   1   3.245  -1.116  -4.950
    8    H5     C   1           H5         C   1   5.123  -2.704  -4.207
    9    H6     C   1           H6         C   1   7.583  -2.746  -3.996
   10    H5T    C   1           H5T        C   1  11.105  -4.285  -6.034
   11   1H2*    C   1          1H2*        C   1   8.983  -1.430  -2.226
   12   2H2*    C   1          2H2*        C   1  10.012   0.088  -2.341
   13   1H5*    C   2          1H5*        C   2  11.638   1.877  -2.260
   14   2H5*    C   2          2H5*        C   2  12.566   2.388  -0.807
   15    H4*    C   2           H4*        C   2  11.098   3.966  -1.147
   16    H3*    C   2           H3*        C   2  10.793   2.587   1.300
   17    H1*    C   2           H1*        C   2   8.066   4.090  -0.712
   18   1H4     C   2          1H4         C   2   2.660   1.425  -2.103
   19   2H4     C   2          2H4         C   2   3.531  -0.128  -2.035
   20    H5     C   2           H5         C   2   5.622  -0.585  -1.461
   21    H6     C   2           H6         C   2   7.686   0.435  -1.043
   22   1H2*    C   2          1H2*        C   2   8.899   1.336   0.621
   23   2H2*    C   2          2H2*        C   2   8.255   2.757   1.488
   24   1H5*    A   3          1H5*        A   3   8.875   6.946   4.711
   25   2H5*    A   3          2H5*        A   3   7.841   5.896   3.864
   26    H4*    A   3           H4*        A   3   8.668   8.532   2.581
   27    H3*    A   3           H3*        A   3   7.271   8.223   4.969
   28    H1*    A   3           H1*        A   3   5.321   8.150   1.580
   29    H8     A   3           H8         A   3   6.665   4.736   2.250
   30   1H6     A   3          1H6         A   3   0.931   2.638   1.478
   31   2H6     A   3          2H6         A   3   2.457   1.980   1.598
   32    H2     A   3           H2         A   3   0.644   6.751   1.736
   33   1H2*    A   3          1H2*        A   3   5.664   6.859   4.210
   34   2H2*    A   3          2H2*        A   3   4.711   8.317   3.904
   35   1H5*    A   4          1H5*        A   4   3.733  10.883   3.263
   36   2H5*    A   4          2H5*        A   4   3.580  12.301   4.339
   37    H4*    A   4           H4*        A   4   1.452  11.396   4.034
   38    H3*    A   4           H3*        A   4   2.864  11.177   6.559
   39    H1*    A   4           H1*        A   4   0.070   9.088   4.894
   40    H8     A   4           H8         A   4   3.498   6.948   5.626
   41   1H6     A   4          1H6         A   4  -0.414   2.269   4.968
   42   2H6     A   4          2H6         A   4   1.239   2.588   5.201
   43    H2     A   4           H2         A   4  -2.831   5.887   4.677
   44   1H2*    A   4          1H2*        A   4   2.557   9.094   6.847
   45   2H2*    A   4          2H2*        A   4   0.720   9.333   7.290
   46   1H5*    A   5          1H5*        A   5  -1.484  10.351   6.571
   47   2H5*    A   5          2H5*        A   5  -2.254  11.592   7.466
   48    H4*    A   5           H4*        A   5  -3.567   9.970   8.115
   49    H3*    A   5           H3*        A   5  -1.654  10.152  10.265
   50    H1*    A   5           H1*        A   5  -3.828   7.403   8.924
   51    H8     A   5           H8         A   5   0.010   6.908   8.264
   52   1H6     A   5          1H6         A   5  -1.289   0.844   8.171
   53   2H6     A   5          2H6         A   5  -0.082   2.073   7.711
   54    H2     A   5           H2         A   5  -4.912   2.912   9.352
   55   1H2*    A   5          1H2*        A   5  -1.177   8.132  10.306
   56   2H2*    A   5          2H2*        A   5  -2.783   7.730  10.967
   57   1H5*    G   6          1H5*        G   6  -5.574   7.789  10.882
   58   2H5*    G   6          2H5*        G   6  -6.598   8.570  12.118
   59    H4*    G   6           H4*        G   6  -7.045   6.374  12.400
   60    H3*    G   6           H3*        G   6  -5.643   7.715  14.435
   61    H1*    G   6           H1*        G   6  -5.525   4.212  13.564
   62    H8     G   6           H8         G   6  -2.210   5.467  12.375
   63    H1     G   6           H1         G   6  -3.283  -0.879  12.117
   64   1H2     G   6          1H2         G   6  -5.406  -1.146  12.862
   65   2H2     G   6          2H2         G   6  -6.234   0.084  13.702
   66   1H2*    G   6          1H2*        G   6  -3.545   6.311  14.198
   67   2H2*    G   6          2H2*        G   6  -4.392   5.225  15.362
   68   1H5*  B1P   7          1H5*      B1P   7  -7.200   4.179  18.288
   69   2H5*  B1P   7          2H5*      B1P   7  -6.752   3.530  16.671
   70    H4*  B1P   7           H4*      B1P   7  -9.486   3.312  17.687
   71    H1*  B1P   7           H1*      B1P   7  -9.989   0.655  16.430
   72   HO1*  B1P   7          HO1*      B1P   7  -8.194   1.120  14.429
   73   1H2*  B1P   7          1H2*      B1P   7  -6.959   0.649  16.808
   74   2H2*  B1P   7          2H2*      B1P   7  -8.160  -0.409  17.483
   75    H3*  B1P   7           H3*      B1P   7  -7.507   1.853  18.924
   76   1H5*    A   8          1H5*        A   8  -9.959  -1.559  18.064
   77   2H5*    A   8          2H5*        A   8 -10.903  -1.729  19.619
   78    H4*    A   8           H4*        A   8 -10.333  -3.929  18.644
   79    H3*    A   8           H3*        A   8  -9.955  -3.358  21.283
   80    H1*    A   8           H1*        A   8  -6.954  -4.872  19.060
   81    H8     A   8           H8         A   8  -6.922  -1.073  19.510
   82   1H6     A   8          1H6         A   8  -0.710  -2.095  18.779
   83   2H6     A   8          2H6         A   8  -1.889  -0.861  18.964
   84    H2     A   8           H2         A   8  -2.692  -5.950  18.770
   85   1H2*    A   8          1H2*        A   8  -7.659  -3.339  21.455
   86   2H2*    A   8          2H2*        A   8  -7.609  -5.145  21.092
   87   1H5*    C   9          1H5*        C   9  -8.456  -7.673  20.793
   88   2H5*    C   9          2H5*        C   9  -9.229  -8.603  22.076
   89    H4*    C   9           H4*        C   9  -7.113  -9.208  21.904
   90    H3*    C   9           H3*        C   9  -8.096  -8.459  24.371
   91    H1*    C   9           H1*        C   9  -4.579  -8.009  22.962
   92   1H4     C   9          1H4         C   9  -1.703  -2.532  22.130
   93   2H4     C   9          2H4         C   9  -3.074  -1.501  22.582
   94    H5     C   9           H5         C   9  -5.106  -2.603  22.918
   95    H6     C   9           H6         C   9  -6.287  -4.523  23.422
   96   1H2*    C   9          1H2*        C   9  -6.635  -6.577  24.737
   97   2H2*    C   9          2H2*        C   9  -5.433  -7.822  25.105
   98   1H5*    C  10          1H5*        C  10  -3.671 -10.477  23.770
   99   2H5*    C  10          2H5*        C  10  -3.537 -11.749  24.848
  100    H4*    C  10           H4*        C  10  -1.493 -10.338  24.660
  101    H3*    C  10           H3*        C  10  -2.895 -10.149  27.442
  102    H1*    C  10           H1*        C  10  -0.289  -8.343  25.128
  103   1H4     C  10          1H4         C  10  -0.235  -2.331  25.439
  104   2H4     C  10          2H4         C  10  -1.946  -1.990  25.629
  105    H5     C  10           H5         C  10  -3.403  -3.979  25.974
  106    H6     C  10           H6         C  10  -3.432  -6.442  26.072
  107   1H2*    C  10          1H2*        C  10  -1.709  -8.128  27.820
  108   2H2*    C  10          2H2*        C  10  -0.131  -8.889  27.260
  109   1H5*    G  11          1H5*        G  11   1.828 -11.096  27.139
  110   2H5*    G  11          2H5*        G  11   2.137 -11.989  28.719
  111    H4*    G  11           H4*        G  11   3.806 -10.274  28.333
  112    H3*    G  11           H3*        G  11   2.193 -10.410  30.737
  113    H1*    G  11           H1*        G  11   4.181  -7.420  29.126
  114    H8     G  11           H8         G  11   0.134  -6.997  29.311
  115    H1     G  11           H1         G  11   3.749  -1.587  28.969
  116   1H2     G  11          1H2         G  11   5.712  -2.272  28.473
  117   2H2     G  11          2H2         G  11   6.163  -4.019  28.457
  118   1H2*    G  11          1H2*        G  11   1.687  -8.215  30.853
  119   2H2*    G  11          2H2*        G  11   3.304  -8.001  31.430
  120   1H5*    G  12          1H5*        G  12   6.409  -8.643  30.412
  121   2H5*    G  12          2H5*        G  12   7.508  -9.256  31.686
  122    H4*    G  12           H4*        G  12   8.307  -7.060  31.324
  123    H3*    G  12           H3*        G  12   7.028  -7.357  34.126
  124    H1*    G  12           H1*        G  12   7.493  -4.377  31.417
  125    H8     G  12           H8         G  12   3.856  -5.544  32.281
  126    H1     G  12           H1         G  12   4.878   0.738  32.847
  127   1H2     G  12          1H2         G  12   7.064   1.103  32.819
  128   2H2     G  12          2H2         G  12   8.099  -0.130  32.427
  129   1H2*    G  12          1H2*        G  12   6.064  -5.498  33.888
  130   2H2*    G  12          2H2*        G  12   7.733  -4.709  33.822
  131   1H5*    G  13          1H5*        G  13  10.352  -4.348  33.387
  132   2H5*    G  13          2H5*        G  13  11.663  -4.585  34.720
  133    H4*    G  13           H4*        G  13  11.504  -2.394  34.337
  134    H3*    G  13           H3*        G  13  10.993  -3.590  36.803
  135    H1*    G  13           H1*        G  13   9.240  -0.559  35.856
  136    H8     G  13           H8         G  13   6.592  -3.563  35.739
  137    H1     G  13           H1         G  13   4.278   2.503  35.659
  138   1H2     G  13          1H2         G  13   6.072   3.831  35.784
  139   2H2     G  13          2H2         G  13   7.647   3.084  35.587
  140    H3T    G  13           H3T        G  13  11.728  -1.248  37.607
  141   1H2*    G  13          1H2*        G  13   8.843  -3.321  36.892
  142   2H2*    G  13          2H2*        G  13   9.318  -1.857  37.810
  143   1H5*    C  14          1H5*        C  14   1.032  10.451  38.213
  144   2H5*    C  14          2H5*        C  14   1.066  11.404  36.638
  145    H4*    C  14           H4*        C  14   3.427  10.662  37.218
  146    H3*    C  14           H3*        C  14   1.989   9.970  34.753
  147    H1*    C  14           H1*        C  14   4.564   7.775  36.809
  148   1H4     C  14          1H4         C  14   1.977   2.046  36.068
  149   2H4     C  14          2H4         C  14   0.413   2.597  36.695
  150    H5     C  14           H5         C  14   0.169   4.765  37.396
  151    H6     C  14           H6         C  14   1.029   7.038  37.371
  152    H5T    C  14           H5T        C  14   0.262   9.644  35.604
  153   1H2*    C  14          1H2*        C  14   2.336   7.769  34.713
  154   2H2*    C  14          2H2*        C  14   3.986   8.002  34.462
  155   1H5*    C  15          1H5*        C  15   6.806   9.085  34.262
  156   2H5*    C  15          2H5*        C  15   7.338   9.863  32.754
  157    H4*    C  15           H4*        C  15   8.150   7.683  32.875
  158    H3*    C  15           H3*        C  15   6.304   8.604  30.793
  159    H1*    C  15           H1*        C  15   6.953   5.249  32.282
  160   1H4     C  15          1H4         C  15   2.073   1.274  32.599
  161   2H4     C  15          2H4         C  15   1.064   2.525  32.982
  162    H5     C  15           H5         C  15   1.622   4.797  32.859
  163    H6     C  15           H6         C  15   3.338   6.381  32.666
  164   1H2*    C  15          1H2*        C  15   4.918   6.850  30.829
  165   2H2*    C  15          2H2*        C  15   6.284   5.953  30.078
  166   1H5*    C  16          1H5*        C  16   9.257   5.195  30.279
  167   2H5*    C  16          2H5*        C  16  10.141   5.266  28.901
  168    H4*    C  16           H4*        C  16   9.973   3.161  29.032
  169    H3*    C  16           H3*        C  16   8.501   4.217  26.870
  170    H1*    C  16           H1*        C  16   8.017   0.986  29.097
  171   1H4     C  16          1H4         C  16   1.758   0.134  28.629
  172   2H4     C  16          2H4         C  16   1.363   1.873  28.988
  173    H5     C  16           H5         C  16   3.150   3.450  28.945
  174    H6     C  16           H6         C  16   5.550   3.754  28.903
  175   1H2*    C  16          1H2*        C  16   7.086   2.574  26.588
  176   2H2*    C  16          2H2*        C  16   8.177   1.182  26.857
  177   1H5*    G  17          1H5*        G  17  10.356  -0.075  26.474
  178   2H5*    G  17          2H5*        G  17  11.410  -0.010  25.016
  179    H4*    G  17           H4*        G  17  10.127  -2.225  25.392
  180    H3*    G  17           H3*        G  17   9.827  -0.811  23.001
  181    H1*    G  17           H1*        G  17   7.675  -2.949  25.220
  182    H8     G  17           H8         G  17   6.346   0.578  25.053
  183    H1     G  17           H1         G  17   1.713  -4.032  25.438
  184   1H2     G  17          1H2         G  17   2.634  -5.979  25.376
  185   2H2     G  17          2H2         G  17   4.405  -6.164  25.192
  186   1H2*    G  17          1H2*        G  17   7.527  -0.729  22.995
  187   2H2*    G  17          2H2*        G  17   7.489  -2.528  22.754
  188   1H5*    G  18          1H5*        G  18   8.253  -5.067  23.243
  189   2H5*    G  18          2H5*        G  18   9.585  -5.879  22.243
  190    H4*    G  18           H4*        G  18   7.764  -7.285  22.353
  191    H3*    G  18           H3*        G  18   8.112  -6.190  19.823
  192    H1*    G  18           H1*        G  18   4.887  -7.104  21.630
  193    H8     G  18           H8         G  18   5.344  -3.238  21.605
  194    H1     G  18           H1         G  18  -0.755  -5.457  22.026
  195   1H2     G  18          1H2         G  18  -0.777  -7.379  21.893
  196   2H2     G  18          2H2         G  18   0.434  -8.628  21.707
  197   1H2*    G  18          1H2*        G  18   5.819  -5.383  19.544
  198   2H2*    G  18          2H2*        G  18   5.453  -7.083  19.424
  199   1H5*    T  19          1H5*        T  19   5.258  -9.815  19.656
  200   2H5*    T  19          2H5*        T  19   5.529 -10.819  18.416
  201    H4*    T  19           H4*        T  19   3.197 -10.401  18.358
  202    H3*    T  19           H3*        T  19   4.686  -9.570  16.041
  203   1H2*    T  19          1H2*        T  19   3.649  -7.460  15.877
  204   2H2*    T  19          2H2*        T  19   2.108  -8.387  15.553
  205    H1*    T  19           H1*        T  19   1.503  -8.408  17.788
  206    H3     T  19           H3         T  19  -0.333  -4.452  18.493
  207   1H5M    T  19          1H5M        T  19   4.414  -3.449  16.114
  208   2H5M    T  19          2H5M        T  19   3.652  -2.029  16.784
  209   3H5M    T  19          3H5M        T  19   4.790  -3.310  17.704
  210    H6     T  19           H6         T  19   4.177  -5.582  17.394
  211   1H5*    A  20          1H5*        A  20   0.248 -10.622  16.421
  212   2H5*    A  20          2H5*        A  20  -0.398 -11.706  15.213
  213    H4*    A  20           H4*        A  20  -2.019 -10.275  15.477
  214    H3*    A  20           H3*        A  20  -0.584  -9.906  12.909
  215    H1*    A  20           H1*        A  20  -2.992  -7.806  15.212
  216    H8     A  20           H8         A  20   0.626  -6.433  14.710
  217   1H6     A  20          1H6         A  20  -2.325  -1.066  15.423
  218   2H6     A  20          2H6         A  20  -0.531  -1.613  15.172
  219    H2     A  20           H2         A  20  -5.074  -3.723  15.908
  220   1H2*    A  20          1H2*        A  20  -1.079  -7.615  12.896
  221   2H2*    A  20          2H2*        A  20  -2.732  -8.015  13.060
  222   1H5*    C  21          1H5*        C  21  -5.648  -9.100  12.926
  223   2H5*    C  21          2H5*        C  21  -6.131  -9.740  11.378
  224    H4*    C  21           H4*        C  21  -7.104  -7.563  11.683
  225    H3*    C  21           H3*        C  21  -5.032  -7.778   9.532
  226    H1*    C  21           H1*        C  21  -6.056  -4.733  11.931
  227   1H4     C  21          1H4         C  21  -0.732  -1.710  11.865
  228   2H4     C  21          2H4         C  21   0.442  -2.969  11.643
  229    H5     C  21           H5         C  21  -0.549  -5.050  11.153
  230    H6     C  21           H6         C  21  -2.594  -6.433  11.100
  231   1H2*    C  21          1H2*        C  21  -4.691  -5.488   9.478
  232   2H2*    C  21          2H2*        C  21  -6.216  -5.201   9.676
  233   1H5*    T  22          1H5*        T  22  -8.901  -5.358   9.272
  234   2H5*    T  22          2H5*        T  22  -9.628  -5.497   7.673
  235    H4*    T  22           H4*        T  22  -9.878  -3.286   8.380
  236    H3*    T  22           H3*        T  22  -8.387  -3.982   5.935
  237   1H2*    T  22          1H2*        T  22  -6.682  -2.562   6.168
  238   2H2*    T  22          2H2*        T  22  -7.698  -1.210   6.323
  239    H1*    T  22           H1*        T  22  -7.511  -0.945   8.431
  240    H3     T  22           H3         T  22  -3.394   0.402   8.863
  241   1H5M    T  22          1H5M        T  22  -1.708  -4.180   8.340
  242   2H5M    T  22          2H5M        T  22  -3.202  -4.996   7.668
  243   3H5M    T  22          3H5M        T  22  -2.327  -3.960   6.608
  244    H6     T  22           H6         T  22  -5.293  -3.883   7.747
  245   1H5*    T  23          1H5*        T  23  -9.580   0.301   6.728
  246   2H5*    T  23          2H5*        T  23 -10.929   0.663   5.646
  247    H4*    T  23           H4*        T  23  -9.496   2.602   5.944
  248    H3*    T  23           H3*        T  23  -9.538   1.439   3.293
  249   1H2*    T  23          1H2*        T  23  -7.161   1.175   3.195
  250   2H2*    T  23          2H2*        T  23  -7.220   2.974   3.135
  251    H1*    T  23           H1*        T  23  -6.755   3.417   5.217
  252    H3     T  23           H3         T  23  -2.524   2.811   4.845
  253   1H5M    T  23          1H5M        T  23  -4.590  -1.794   3.871
  254   2H5M    T  23          2H5M        T  23  -2.943  -1.926   4.326
  255   3H5M    T  23          3H5M        T  23  -4.178  -2.207   5.498
  256    H6     T  23           H6         T  23  -6.114  -0.263   4.871
  257   1H5*    T  24          1H5*        T  24  -8.107   6.083   3.447
  258   2H5*    T  24          2H5*        T  24  -8.884   6.952   2.078
  259    H4*    T  24           H4*        T  24  -6.725   7.763   2.391
  260    H3*    T  24           H3*        T  24  -7.658   6.565  -0.186
  261   1H2*    T  24          1H2*        T  24  -5.647   5.021  -0.215
  262   2H2*    T  24          2H2*        T  24  -4.803   6.530  -0.667
  263    H1*    T  24           H1*        T  24  -4.138   7.021   1.510
  264    H3     T  24           H3         T  24  -0.483   4.301   1.216
  265   1H5M    T  24          1H5M        T  24  -3.270   0.945   0.091
  266   2H5M    T  24          2H5M        T  24  -3.423   0.461   1.793
  267   3H5M    T  24          3H5M        T  24  -4.815   1.056   0.941
  268    H6     T  24           H6         T  24  -5.215   3.252   1.423
  269   1H5*    G  25          1H5*        G  25  -3.847   9.714   0.257
  270   2H5*    G  25          2H5*        G  25  -4.257  10.880  -0.855
  271    H4*    G  25           H4*        G  25  -1.861  10.811  -0.509
  272    H3*    G  25           H3*        G  25  -3.157  10.399  -3.170
  273    H1*    G  25           H1*        G  25   0.235   9.037  -2.017
  274    H8     G  25           H8         G  25  -2.691   6.419  -1.889
  275    H1     G  25           H1         G  25   3.297   4.051  -1.703
  276   1H2     G  25          1H2         G  25   4.733   5.985  -1.688
  277   2H2     G  25          2H2         G  25   3.959   7.526  -1.731
  278   1H2*    G  25          1H2*        G  25  -2.536   8.453  -3.362
  279   2H2*    G  25          2H2*        G  25  -1.100   9.159  -4.167
  280   1H5*    G  26          1H5*        G  26   1.357  11.133  -2.757
  281   2H5*    G  26          2H5*        G  26   1.886  12.438  -3.826
  282    H4*    G  26           H4*        G  26   3.412  10.709  -3.178
  283    H3*    G  26           H3*        G  26   2.837  11.534  -6.038
  284    H1*    G  26           H1*        G  26   4.529   8.347  -4.647
  285    H8     G  26           H8         G  26   0.971   7.351  -5.316
  286    H1     G  26           H1         G  26   5.387   2.660  -4.929
  287   1H2     G  26          1H2         G  26   7.268   3.449  -4.870
  288   2H2     G  26          2H2         G  26   7.658   5.145  -5.064
  289    H3T    G  26           H3T        G  26   4.637  12.180  -4.746
  290   1H2*    G  26          1H2*        G  26   2.665   9.459  -6.758
  291   2H2*    G  26          2H2*        G  26   4.509   9.411  -6.695
  Start of MODEL    6
    1   1H5*    C   1          1H5*        C   1   9.271  -5.307  -4.372
    2   2H5*    C   1          2H5*        C   1   7.597  -4.980  -4.912
    3    H4*    C   1           H4*        C   1   9.552  -2.715  -4.851
    4    H3*    C   1           H3*        C   1   8.448  -3.920  -2.428
    5    H1*    C   1           H1*        C   1   7.954  -0.734  -4.498
    6   1H4     C   1          1H4         C   1   1.991   1.324  -3.936
    7   2H4     C   1          2H4         C   1   1.338  -0.242  -4.303
    8    H5     C   1           H5         C   1   2.815  -2.300  -4.014
    9    H6     C   1           H6         C   1   5.109  -2.978  -3.701
   10    H5T    C   1           H5T        C   1   8.619  -3.846  -6.812
   11   1H2*    C   1          1H2*        C   1   7.037  -2.307  -1.964
   12   2H2*    C   1          2H2*        C   1   8.247  -0.935  -2.238
   13   1H5*    C   2          1H5*        C   2  10.184   0.047  -1.544
   14   2H5*    C   2          2H5*        C   2  11.395  -0.060  -0.418
   15    H4*    C   2           H4*        C   2  10.362   1.864   0.172
   16    H3*    C   2           H3*        C   2   9.262  -0.274   1.914
   17    H1*    C   2           H1*        C   2   7.844   2.921   0.090
   18   1H4     C   2          1H4         C   2   1.722   2.025  -0.384
   19   2H4     C   2          2H4         C   2   2.012   0.381  -0.928
   20    H5     C   2           H5         C   2   4.114  -0.591  -1.085
   21    H6     C   2           H6         C   2   6.433  -0.305  -0.680
   22   1H2*    C   2          1H2*        C   2   7.200   0.968   2.416
   23   2H2*    C   2          2H2*        C   2   8.077   2.460   2.414
   24   1H5*    A   3          1H5*        A   3  10.333   3.338   6.456
   25   2H5*    A   3          2H5*        A   3   8.812   2.800   6.150
   26    H4*    A   3           H4*        A   3   9.961   5.358   4.984
   27    H3*    A   3           H3*        A   3   8.895   4.926   7.331
   28    H1*    A   3           H1*        A   3   6.550   6.034   4.397
   29    H8     A   3           H8         A   3   6.885   2.290   4.539
   30   1H6     A   3          1H6         A   3   0.873   2.142   2.825
   31   2H6     A   3          2H6         A   3   2.223   0.987   3.321
   32    H2     A   3           H2         A   3   1.773   6.049   4.106
   33   1H2*    A   3          1H2*        A   3   6.839   4.053   6.794
   34   2H2*    A   3          2H2*        A   3   6.336   5.782   6.612
   35   1H5*    A   4          1H5*        A   4   6.201   8.248   6.449
   36   2H5*    A   4          2H5*        A   4   6.548   9.647   7.413
   37    H4*    A   4           H4*        A   4   4.267   9.431   7.667
   38    H3*    A   4           H3*        A   4   5.479   8.469  10.022
   39    H1*    A   4           H1*        A   4   2.371   7.168   8.427
   40    H8     A   4           H8         A   4   5.112   4.271   8.420
   41   1H6     A   4          1H6         A   4   0.267   1.021   6.226
   42   2H6     A   4          2H6         A   4   1.962   0.809   6.770
   43    H2     A   4           H2         A   4  -0.980   5.217   6.482
   44   1H2*    A   4          1H2*        A   4   4.839   6.274   9.737
   45   2H2*    A   4          2H2*        A   4   3.262   6.764  10.413
   46   1H5*    A   5          1H5*        A   5   0.900   8.879   9.610
   47   2H5*    A   5          2H5*        A   5   0.520  10.278  10.537
   48    H4*    A   5           H4*        A   5  -1.510   9.236  10.213
   49    H3*    A   5           H3*        A   5  -0.638   8.984  12.941
   50    H1*    A   5           H1*        A   5  -2.532   6.183  10.977
   51    H8     A   5           H8         A   5   1.492   5.412  11.677
   52   1H6     A   5          1H6         A   5   0.302  -0.277   9.651
   53   2H6     A   5          2H6         A   5   1.452   0.775  10.393
   54    H2     A   5           H2         A   5  -3.539   2.169   9.504
   55   1H2*    A   5          1H2*        A   5  -0.134   6.729  12.717
   56   2H2*    A   5          2H2*        A   5  -1.958   6.611  13.260
   57   1H5*    G   6          1H5*        G   6  -4.904   7.213  11.696
   58   2H5*    G   6          2H5*        G   6  -6.061   8.089  12.678
   59    H4*    G   6           H4*        G   6  -7.354   6.205  12.214
   60    H3*    G   6           H3*        G   6  -6.665   6.701  14.867
   61    H1*    G   6           H1*        G   6  -6.779   3.120  13.274
   62    H8     G   6           H8         G   6  -3.273   4.521  13.812
   63    H1     G   6           H1         G   6  -3.742  -1.748  12.346
   64   1H2     G   6          1H2         G   6  -5.728  -2.186  12.494
   65   2H2     G   6          2H2         G   6  -6.923  -1.252  13.317
   66   1H2*    G   6          1H2*        G   6  -5.217   4.794  15.171
   67   2H2*    G   6          2H2*        G   6  -6.683   4.047  15.530
   68   1H5*  B1P   7          1H5*      B1P   7  -9.231   2.700  16.724
   69   2H5*  B1P   7          2H5*      B1P   7  -8.478   2.634  15.212
   70    H4*  B1P   7           H4*      B1P   7 -11.320   1.909  15.864
   71    H1*  B1P   7           H1*      B1P   7 -11.351  -0.291  13.570
   72   HO1*  B1P   7          HO1*      B1P   7  -9.865   1.144  11.861
   73   1H2*  B1P   7          1H2*      B1P   7  -8.435   0.198  14.310
   74   2H2*  B1P   7          2H2*      B1P   7  -9.394  -1.350  14.532
   75    H3*  B1P   7           H3*      B1P   7  -9.092   0.282  16.528
   76   1H5*    A   8          1H5*        A   8 -11.077  -3.210  16.624
   77   2H5*    A   8          2H5*        A   8 -12.357  -3.262  17.839
   78    H4*    A   8           H4*        A   8 -11.026  -5.199  18.204
   79    H3*    A   8           H3*        A   8 -10.964  -3.479  20.477
   80    H1*    A   8           H1*        A   8  -7.783  -5.319  19.247
   81    H8     A   8           H8         A   8  -8.055  -1.417  18.339
   82   1H6     A   8          1H6         A   8  -1.888  -1.810  17.987
   83   2H6     A   8          2H6         A   8  -3.303  -0.762  17.929
   84    H2     A   8           H2         A   8  -3.283  -5.753  18.972
   85   1H2*    A   8          1H2*        A   8  -9.013  -2.812  20.438
   86   2H2*    A   8          2H2*        A   8  -8.606  -4.329  21.131
   87   1H5*    C   9          1H5*        C   9  -8.681  -7.355  20.734
   88   2H5*    C   9          2H5*        C   9  -9.254  -8.376  22.027
   89    H4*    C   9           H4*        C   9  -6.895  -8.601  21.981
   90    H3*    C   9           H3*        C   9  -7.906  -7.583  24.328
   91    H1*    C   9           H1*        C   9  -4.642  -6.743  22.616
   92   1H4     C   9          1H4         C   9  -2.023  -1.292  21.503
   93   2H4     C   9          2H4         C   9  -3.540  -0.412  21.794
   94    H5     C   9           H5         C   9  -5.617  -1.440  21.993
   95    H6     C   9           H6         C   9  -6.781  -3.521  22.487
   96   1H2*    C   9          1H2*        C   9  -6.887  -5.371  24.200
   97   2H2*    C   9          2H2*        C   9  -5.385  -6.342  24.712
   98   1H5*    C  10          1H5*        C  10  -3.605  -9.765  24.021
   99   2H5*    C  10          2H5*        C  10  -3.512 -10.788  25.321
  100    H4*    C  10           H4*        C  10  -1.384 -10.810  24.501
  101    H3*    C  10           H3*        C  10  -1.974 -10.233  27.055
  102    H1*    C  10           H1*        C  10   0.757  -8.177  24.965
  103   1H4     C  10          1H4         C  10  -0.148  -1.990  24.188
  104   2H4     C  10          2H4         C  10  -1.889  -2.024  24.450
  105    H5     C  10           H5         C  10  -3.000  -4.084  25.302
  106    H6     C  10           H6         C  10  -2.628  -6.605  25.522
  107   1H2*    C  10          1H2*        C  10  -1.444  -7.870  27.161
  108   2H2*    C  10          2H2*        C  10   0.165  -8.479  27.271
  109   1H5*    G  11          1H5*        G  11   2.127  -9.877  25.880
  110   2H5*    G  11          2H5*        G  11   3.086 -11.153  26.658
  111    H4*    G  11           H4*        G  11   4.531  -9.186  26.293
  112    H3*    G  11           H3*        G  11   3.811  -9.778  28.958
  113    H1*    G  11           H1*        G  11   4.731  -6.648  27.141
  114    H8     G  11           H8         G  11   0.957  -6.501  27.986
  115    H1     G  11           H1         G  11   3.857  -0.799  27.172
  116   1H2     G  11          1H2         G  11   5.953  -1.170  27.073
  117   2H2     G  11          2H2         G  11   6.539  -2.825  26.830
  118   1H2*    G  11          1H2*        G  11   2.687  -7.732  29.134
  119   2H2*    G  11          2H2*        G  11   4.430  -7.145  29.460
  120   1H5*    G  12          1H5*        G  12   7.725  -7.017  28.100
  121   2H5*    G  12          2H5*        G  12   9.115  -7.670  28.984
  122    H4*    G  12           H4*        G  12   9.387  -5.241  29.094
  123    H3*    G  12           H3*        G  12   8.300  -6.260  31.646
  124    H1*    G  12           H1*        G  12   8.058  -3.014  29.821
  125    H8     G  12           H8         G  12   4.742  -4.803  30.025
  126    H1     G  12           H1         G  12   4.589   1.636  30.747
  127   1H2     G  12          1H2         G  12   6.678   2.411  30.399
  128   2H2     G  12          2H2         G  12   7.971   1.154  30.005
  129   1H2*    G  12          1H2*        G  12   7.123  -4.471  32.244
  130   2H2*    G  12          2H2*        G  12   8.533  -3.453  31.732
  131   1H5*    G  13          1H5*        G  13  11.419  -2.931  31.511
  132   2H5*    G  13          2H5*        G  13  12.551  -3.235  32.724
  133    H4*    G  13           H4*        G  13  12.173  -0.881  32.858
  134    H3*    G  13           H3*        G  13  11.927  -2.449  35.162
  135    H1*    G  13           H1*        G  13   9.796   0.565  34.342
  136    H8     G  13           H8         G  13   7.502  -2.740  34.074
  137    H1     G  13           H1         G  13   4.205   2.725  34.284
  138   1H2     G  13          1H2         G  13   5.651   4.451  33.964
  139   2H2     G  13          2H2         G  13   7.367   4.222  33.970
  140    H3T    G  13           H3T        G  13  12.126   0.389  34.825
  141   1H2*    G  13          1H2*        G  13   9.651  -2.398  35.376
  142   2H2*    G  13          2H2*        G  13  10.044  -0.936  36.346
  143   1H5*    C  14          1H5*        C  14  -0.357   9.758  37.166
  144   2H5*    C  14          2H5*        C  14  -0.805  10.711  35.779
  145    H4*    C  14           H4*        C  14   1.642  10.373  36.011
  146    H3*    C  14           H3*        C  14   0.177   9.796  33.671
  147    H1*    C  14           H1*        C  14   3.334   7.754  34.993
  148   1H4     C  14          1H4         C  14   1.799   1.515  34.705
  149   2H4     C  14          2H4         C  14   0.234   1.921  35.490
  150    H5     C  14           H5         C  14  -0.609   4.085  35.993
  151    H6     C  14           H6         C  14  -0.064   6.336  35.997
  152    H5T    C  14           H5T        C  14  -2.152   8.955  36.141
  153   1H2*    C  14          1H2*        C  14   0.658   7.483  33.446
  154   2H2*    C  14          2H2*        C  14   2.393   7.961  32.955
  155   1H5*    C  15          1H5*        C  15   4.771   9.351  33.011
  156   2H5*    C  15          2H5*        C  15   5.387  10.665  31.859
  157    H4*    C  15           H4*        C  15   6.692   8.762  31.692
  158    H3*    C  15           H3*        C  15   5.070   9.788  29.375
  159    H1*    C  15           H1*        C  15   5.875   6.124  30.117
  160   1H4     C  15          1H4         C  15   1.935   1.698  31.433
  161   2H4     C  15          2H4         C  15   0.541   2.753  31.687
  162    H5     C  15           H5         C  15   0.807   5.208  31.433
  163    H6     C  15           H6         C  15   2.219   6.962  30.825
  164   1H2*    C  15          1H2*        C  15   3.776   8.004  29.111
  165   2H2*    C  15          2H2*        C  15   5.025   7.128  28.207
  166   1H5*    C  16          1H5*        C  16   8.803   6.259  28.662
  167   2H5*    C  16          2H5*        C  16   9.722   6.897  27.341
  168    H4*    C  16           H4*        C  16   9.540   4.386  27.277
  169    H3*    C  16           H3*        C  16   8.309   5.961  25.156
  170    H1*    C  16           H1*        C  16   7.864   2.658  26.789
  171   1H4     C  16          1H4         C  16   2.191   0.411  27.961
  172   2H4     C  16          2H4         C  16   1.493   2.054  28.189
  173    H5     C  16           H5         C  16   2.830   4.183  27.447
  174    H6     C  16           H6         C  16   4.883   4.878  26.806
  175   1H2*    C  16          1H2*        C  16   6.411   4.796  24.999
  176   2H2*    C  16          2H2*        C  16   7.444   3.196  24.631
  177   1H5*    G  17          1H5*        G  17   9.904   1.716  24.987
  178   2H5*    G  17          2H5*        G  17  10.807   1.554  23.558
  179    H4*    G  17           H4*        G  17  10.093  -0.613  24.032
  180    H3*    G  17           H3*        G  17   9.655   0.739  21.588
  181    H1*    G  17           H1*        G  17   7.376  -1.788  22.914
  182    H8     G  17           H8         G  17   5.708   1.790  23.528
  183    H1     G  17           H1         G  17   1.733  -3.226  24.115
  184   1H2     G  17          1H2         G  17   3.056  -5.145  24.087
  185   2H2     G  17          2H2         G  17   4.765  -4.985  23.723
  186   1H2*    G  17          1H2*        G  17   7.477   0.898  21.664
  187   2H2*    G  17          2H2*        G  17   7.474  -0.771  20.955
  188   1H5*    G  18          1H5*        G  18   8.482  -3.729  21.700
  189   2H5*    G  18          2H5*        G  18   9.268  -4.705  20.558
  190    H4*    G  18           H4*        G  18   7.212  -5.670  20.893
  191    H3*    G  18           H3*        G  18   7.174  -4.119  18.250
  192    H1*    G  18           H1*        G  18   4.569  -5.229  20.946
  193    H8     G  18           H8         G  18   4.933  -1.465  20.316
  194    H1     G  18           H1         G  18  -1.010  -3.600  21.152
  195   1H2     G  18          1H2         G  18  -1.209  -5.515  21.119
  196   2H2     G  18          2H2         G  18   0.171  -6.725  21.058
  197   1H2*    G  18          1H2*        G  18   4.845  -4.003  18.168
  198   2H2*    G  18          2H2*        G  18   4.679  -5.658  18.752
  199   1H5*    T  19          1H5*        T  19   5.133  -8.117  18.819
  200   2H5*    T  19          2H5*        T  19   5.732  -9.030  17.451
  201    H4*    T  19           H4*        T  19   3.446  -9.563  18.169
  202    H3*    T  19           H3*        T  19   3.944  -8.996  15.370
  203   1H2*    T  19          1H2*        T  19   2.250  -7.260  15.161
  204   2H2*    T  19          2H2*        T  19   1.252  -8.515  15.280
  205    H1*    T  19           H1*        T  19   0.982  -8.358  17.715
  206    H3     T  19           H3         T  19  -1.441  -4.545  18.112
  207   1H5M    T  19          1H5M        T  19   2.134  -1.825  16.266
  208   2H5M    T  19          2H5M        T  19   3.099  -2.296  17.713
  209   3H5M    T  19          3H5M        T  19   3.515  -3.149  16.178
  210    H6     T  19           H6         T  19   3.102  -5.552  16.872
  211   1H5*    A  20          1H5*        A  20  -0.344 -11.621  15.751
  212   2H5*    A  20          2H5*        A  20  -0.383 -12.368  14.229
  213    H4*    A  20           H4*        A  20  -2.568 -11.437  14.545
  214    H3*    A  20           H3*        A  20  -0.769 -10.373  12.540
  215    H1*    A  20           H1*        A  20  -3.638  -8.883  14.223
  216    H8     A  20           H8         A  20  -0.295  -6.789  14.261
  217   1H6     A  20          1H6         A  20  -4.043  -2.032  15.296
  218   2H6     A  20          2H6         A  20  -2.294  -2.418  15.023
  219    H2     A  20           H2         A  20  -6.383  -5.645  15.321
  220   1H2*    A  20          1H2*        A  20  -1.566  -8.095  12.409
  221   2H2*    A  20          2H2*        A  20  -3.055  -8.767  12.176
  222   1H5*    C  21          1H5*        C  21  -4.983 -10.024  11.724
  223   2H5*    C  21          2H5*        C  21  -5.443 -10.677  10.086
  224    H4*    C  21           H4*        C  21  -6.691  -8.622  10.389
  225    H3*    C  21           H3*        C  21  -4.613  -8.647   8.255
  226    H1*    C  21           H1*        C  21  -5.867  -5.637  10.650
  227   1H4     C  21          1H4         C  21  -1.053  -2.172  12.104
  228   2H4     C  21          2H4         C  21   0.228  -3.286  11.363
  229    H5     C  21           H5         C  21  -0.424  -5.579  10.916
  230    H6     C  21           H6         C  21  -2.343  -6.935  10.297
  231   1H2*    C  21          1H2*        C  21  -3.829  -6.504   8.494
  232   2H2*    C  21          2H2*        C  21  -5.494  -5.908   8.408
  233   1H5*    T  22          1H5*        T  22  -7.977  -5.752   8.015
  234   2H5*    T  22          2H5*        T  22  -8.769  -5.676   6.398
  235    H4*    T  22           H4*        T  22  -8.622  -3.410   7.417
  236    H3*    T  22           H3*        T  22  -6.927  -3.773   4.924
  237   1H2*    T  22          1H2*        T  22  -5.361  -2.426   5.548
  238   2H2*    T  22          2H2*        T  22  -6.512  -1.067   6.047
  239    H1*    T  22           H1*        T  22  -6.598  -1.614   8.010
  240    H3     T  22           H3         T  22  -2.507  -0.306   9.449
  241   1H5M    T  22          1H5M        T  22  -2.095  -5.417   7.315
  242   2H5M    T  22          2H5M        T  22  -1.071  -4.230   6.444
  243   3H5M    T  22          3H5M        T  22  -0.736  -4.664   8.032
  244    H6     T  22           H6         T  22  -4.116  -4.284   7.008
  245   1H5*    T  23          1H5*        T  23  -8.861   0.030   6.380
  246   2H5*    T  23          2H5*        T  23 -10.048   0.557   5.171
  247    H4*    T  23           H4*        T  23  -9.296   2.398   6.336
  248    H3*    T  23           H3*        T  23  -8.855   2.358   3.528
  249   1H2*    T  23          1H2*        T  23  -6.694   2.516   3.421
  250   2H2*    T  23          2H2*        T  23  -6.810   4.184   3.909
  251    H1*    T  23           H1*        T  23  -6.277   3.609   6.281
  252    H3     T  23           H3         T  23  -1.934   2.607   6.369
  253   1H5M    T  23          1H5M        T  23  -2.408  -0.625   3.182
  254   2H5M    T  23          2H5M        T  23  -3.085  -1.680   4.448
  255   3H5M    T  23          3H5M        T  23  -4.255  -1.039   3.244
  256    H6     T  23           H6         T  23  -5.618   0.412   4.234
  257   1H5*    T  24          1H5*        T  24  -7.872   6.539   5.686
  258   2H5*    T  24          2H5*        T  24  -8.551   7.848   4.750
  259    H4*    T  24           H4*        T  24  -6.070   8.078   5.309
  260    H3*    T  24           H3*        T  24  -7.106   8.013   2.546
  261   1H2*    T  24          1H2*        T  24  -5.161   6.829   1.696
  262   2H2*    T  24          2H2*        T  24  -4.123   8.135   1.964
  263    H1*    T  24           H1*        T  24  -3.706   7.320   4.247
  264    H3     T  24           H3         T  24  -0.339   4.441   3.607
  265   1H5M    T  24          1H5M        T  24  -4.253   2.765   0.492
  266   2H5M    T  24          2H5M        T  24  -3.278   1.451   1.164
  267   3H5M    T  24          3H5M        T  24  -4.655   1.905   2.103
  268    H6     T  24           H6         T  24  -4.976   4.379   2.249
  269   1H5*    G  25          1H5*        G  25  -3.138  10.631   3.681
  270   2H5*    G  25          2H5*        G  25  -3.230  12.121   2.905
  271    H4*    G  25           H4*        G  25  -1.061  11.409   2.785
  272    H3*    G  25           H3*        G  25  -2.309  11.704   0.259
  273    H1*    G  25           H1*        G  25   0.350   9.355   1.478
  274    H8     G  25           H8         G  25  -2.685   7.240   0.187
  275    H1     G  25           H1         G  25   2.805   4.023   0.333
  276   1H2     G  25          1H2         G  25   4.375   5.313   0.770
  277   2H2     G  25          2H2         G  25   4.072   6.918   1.344
  278   1H2*    G  25          1H2*        G  25  -1.932   9.736  -0.537
  279   2H2*    G  25          2H2*        G  25  -0.323  10.156  -0.821
  280   1H5*    G  26          1H5*        G  26   2.380  11.206   0.970
  281   2H5*    G  26          2H5*        G  26   3.309  12.492   0.313
  282    H4*    G  26           H4*        G  26   4.562  10.562   0.160
  283    H3*    G  26           H3*        G  26   4.072  11.764  -2.430
  284    H1*    G  26           H1*        G  26   4.909   8.186  -1.149
  285    H8     G  26           H8         G  26   1.067   8.325  -2.180
  286    H1     G  26           H1         G  26   3.983   2.670  -3.522
  287   1H2     G  26          1H2         G  26   6.266   2.889  -3.058
  288   2H2     G  26          2H2         G  26   6.767   4.233  -2.061
  289    H3T    G  26           H3T        G  26   6.413  10.467  -2.134
  290   1H2*    G  26          1H2*        G  26   3.710   9.520  -3.542
  291   2H2*    G  26          2H2*        G  26   5.428   9.237  -3.117
  Start of MODEL    7
    1   1H5*    C   1          1H5*        C   1  11.053  -4.038  -4.173
    2   2H5*    C   1          2H5*        C   1   9.632  -4.099  -5.156
    3    H4*    C   1           H4*        C   1  10.997  -1.451  -4.785
    4    H3*    C   1           H3*        C   1   9.319  -2.864  -2.809
    5    H1*    C   1           H1*        C   1   9.153   0.507  -4.871
    6   1H4     C   1          1H4         C   1   3.004   1.749  -5.233
    7   2H4     C   1          2H4         C   1   2.656   0.020  -5.693
    8    H5     C   1           H5         C   1   4.288  -1.721  -5.472
    9    H6     C   1           H6         C   1   6.588  -2.321  -5.026
   10    H5T    C   1           H5T        C   1  10.837  -3.376  -6.902
   11   1H2*    C   1          1H2*        C   1   7.858  -1.134  -2.688
   12   2H2*    C   1          2H2*        C   1   9.118   0.069  -2.604
   13   1H5*    C   2          1H5*        C   2  11.303   1.155  -1.708
   14   2H5*    C   2          2H5*        C   2  12.069   1.191  -0.255
   15    H4*    C   2           H4*        C   2  11.041   3.275  -0.320
   16    H3*    C   2           H3*        C   2  10.462   1.522   1.824
   17    H1*    C   2           H1*        C   2   8.008   3.868  -0.027
   18   1H4     C   2          1H4         C   2   2.767   1.697  -2.334
   19   2H4     C   2          2H4         C   2   3.094  -0.057  -1.851
   20    H5     C   2           H5         C   2   5.471  -0.705  -1.554
   21    H6     C   2           H6         C   2   7.481   0.200  -0.657
   22   1H2*    C   2          1H2*        C   2   8.120   1.220   1.427
   23   2H2*    C   2          2H2*        C   2   8.041   2.808   2.077
   24   1H5*    A   3          1H5*        A   3   9.081   6.085   5.203
   25   2H5*    A   3          2H5*        A   3   7.882   5.014   4.694
   26    H4*    A   3           H4*        A   3   8.509   7.760   3.496
   27    H3*    A   3           H3*        A   3   7.344   7.162   6.041
   28    H1*    A   3           H1*        A   3   4.881   7.697   2.880
   29    H8     A   3           H8         A   3   6.342   4.387   2.771
   30   1H6     A   3          1H6         A   3   0.530   2.489   1.498
   31   2H6     A   3          2H6         A   3   2.105   1.920   1.422
   32    H2     A   3           H2         A   3   0.379   6.591   2.476
   33   1H2*    A   3          1H2*        A   3   5.519   6.039   5.314
   34   2H2*    A   3          2H2*        A   3   4.819   7.648   5.238
   35   1H5*    A   4          1H5*        A   4   4.101  10.200   4.986
   36   2H5*    A   4          2H5*        A   4   4.380  11.494   6.064
   37    H4*    A   4           H4*        A   4   2.036  11.016   6.093
   38    H3*    A   4           H3*        A   4   3.545  10.408   8.529
   39    H1*    A   4           H1*        A   4   0.466   8.586   7.062
   40    H8     A   4           H8         A   4   3.849   6.391   7.002
   41   1H6     A   4          1H6         A   4  -0.367   2.046   4.944
   42   2H6     A   4          2H6         A   4   1.232   2.195   5.284
   43    H2     A   4           H2         A   4  -2.476   5.698   5.692
   44   1H2*    A   4          1H2*        A   4   3.056   8.120   8.508
   45   2H2*    A   4          2H2*        A   4   1.614   8.658   9.306
   46   1H5*    A   5          1H5*        A   5  -1.215  10.447   8.459
   47   2H5*    A   5          2H5*        A   5  -1.619  11.581   9.726
   48    H4*    A   5           H4*        A   5  -3.314   9.879   9.752
   49    H3*    A   5           H3*        A   5  -1.861  10.382  12.034
   50    H1*    A   5           H1*        A   5  -3.360   7.109  10.816
   51    H8     A   5           H8         A   5   0.581   6.827  10.596
   52   1H6     A   5          1H6         A   5  -0.496   1.020   9.009
   53   2H6     A   5          2H6         A   5   0.713   2.277   9.411
   54    H2     A   5           H2         A   5  -4.443   2.748   9.434
   55   1H2*    A   5          1H2*        A   5  -0.837   8.292  12.074
   56   2H2*    A   5          2H2*        A   5  -2.398   7.675  12.925
   57   1H5*    G   6          1H5*        G   6  -6.072   7.680  12.120
   58   2H5*    G   6          2H5*        G   6  -6.976   8.591  13.484
   59    H4*    G   6           H4*        G   6  -7.693   6.525  13.400
   60    H3*    G   6           H3*        G   6  -6.591   7.307  15.792
   61    H1*    G   6           H1*        G   6  -6.600   3.825  14.137
   62    H8     G   6           H8         G   6  -3.124   5.378  13.791
   63    H1     G   6           H1         G   6  -3.689  -0.949  12.465
   64   1H2     G   6          1H2         G   6  -5.531  -1.308  11.922
   65   2H2     G   6          2H2         G   6  -6.925  -0.307  12.407
   66   1H2*    G   6          1H2*        G   6  -4.722   5.706  15.654
   67   2H2*    G   6          2H2*        G   6  -5.875   4.581  16.411
   68   1H5*  B1P   7          1H5*      B1P   7  -8.989   3.222  18.022
   69   2H5*  B1P   7          2H5*      B1P   7  -9.064   3.413  16.318
   70    H4*  B1P   7           H4*      B1P   7 -11.363   2.629  18.351
   71    H1*  B1P   7           H1*      B1P   7 -12.676   1.450  15.125
   72   HO1*  B1P   7          HO1*      B1P   7 -12.144   3.392  14.152
   73   1H2*  B1P   7          1H2*      B1P   7  -9.578   1.400  15.037
   74   2H2*  B1P   7          2H2*      B1P   7 -10.704  -0.022  15.139
   75    H3*  B1P   7           H3*      B1P   7  -9.523   0.651  17.501
   76   1H5*    A   8          1H5*        A   8 -10.189  -2.565  16.998
   77   2H5*    A   8          2H5*        A   8 -11.475  -3.192  17.882
   78    H4*    A   8           H4*        A   8  -9.766  -4.755  17.893
   79    H3*    A   8           H3*        A   8  -9.947  -3.388  20.545
   80    H1*    A   8           H1*        A   8  -6.979  -4.904  18.623
   81    H8     A   8           H8         A   8  -6.941  -1.084  19.010
   82   1H6     A   8          1H6         A   8  -0.771  -1.994  18.645
   83   2H6     A   8          2H6         A   8  -1.903  -0.737  19.014
   84    H2     A   8           H2         A   8  -2.599  -5.805  18.684
   85   1H2*    A   8          1H2*        A   8  -7.696  -2.979  20.777
   86   2H2*    A   8          2H2*        A   8  -7.535  -4.760  20.781
   87   1H5*    C   9          1H5*        C   9  -7.883  -7.673  20.536
   88   2H5*    C   9          2H5*        C   9  -8.882  -8.621  21.693
   89    H4*    C   9           H4*        C   9  -6.581  -9.458  21.807
   90    H3*    C   9           H3*        C   9  -7.891  -8.707  24.024
   91    H1*    C   9           H1*        C   9  -4.255  -7.842  23.297
   92   1H4     C   9          1H4         C   9  -1.659  -2.330  22.142
   93   2H4     C   9          2H4         C   9  -3.131  -1.422  22.375
   94    H5     C   9           H5         C   9  -5.285  -2.539  22.658
   95    H6     C   9           H6         C   9  -6.470  -4.629  22.947
   96   1H2*    C   9          1H2*        C   9  -6.855  -6.565  24.490
   97   2H2*    C   9          2H2*        C   9  -5.575  -7.557  25.247
   98   1H5*    C  10          1H5*        C  10  -3.211 -10.332  24.402
   99   2H5*    C  10          2H5*        C  10  -3.345 -11.504  25.681
  100    H4*    C  10           H4*        C  10  -1.210 -10.569  25.714
  101    H3*    C  10           H3*        C  10  -2.846 -10.033  28.157
  102    H1*    C  10           H1*        C  10  -0.108  -8.352  26.026
  103   1H4     C  10          1H4         C  10   0.153  -2.316  25.455
  104   2H4     C  10          2H4         C  10  -1.722  -2.055  25.517
  105    H5     C  10           H5         C  10  -3.172  -3.915  25.579
  106    H6     C  10           H6         C  10  -3.255  -6.322  26.159
  107   1H2*    C  10          1H2*        C  10  -1.883  -7.764  28.331
  108   2H2*    C  10          2H2*        C  10  -0.287  -8.584  28.184
  109   1H5*    G  11          1H5*        G  11   1.978 -10.923  28.172
  110   2H5*    G  11          2H5*        G  11   2.137 -11.880  29.651
  111    H4*    G  11           H4*        G  11   4.184 -10.510  29.161
  112    H3*    G  11           H3*        G  11   2.884 -10.424  31.690
  113    H1*    G  11           H1*        G  11   4.623  -7.681  30.041
  114    H8     G  11           H8         G  11   0.694  -6.957  29.788
  115    H1     G  11           H1         G  11   4.421  -2.077  28.064
  116   1H2     G  11          1H2         G  11   6.459  -2.626  28.325
  117   2H2     G  11          2H2         G  11   6.739  -4.359  28.473
  118   1H2*    G  11          1H2*        G  11   2.012  -8.300  31.390
  119   2H2*    G  11          2H2*        G  11   3.572  -7.764  32.130
  120   1H5*    G  12          1H5*        G  12   6.794  -8.026  30.918
  121   2H5*    G  12          2H5*        G  12   8.041  -8.562  32.045
  122    H4*    G  12           H4*        G  12   8.480  -6.352  31.741
  123    H3*    G  12           H3*        G  12   6.979  -6.676  34.285
  124    H1*    G  12           H1*        G  12   7.636  -3.926  31.461
  125    H8     G  12           H8         G  12   3.957  -5.000  32.024
  126    H1     G  12           H1         G  12   4.760   1.273  31.661
  127   1H2     G  12          1H2         G  12   6.804   1.717  31.535
  128   2H2     G  12          2H2         G  12   8.073   0.546  31.937
  129   1H2*    G  12          1H2*        G  12   6.079  -4.526  34.019
  130   2H2*    G  12          2H2*        G  12   7.801  -3.987  33.939
  131   1H5*    G  13          1H5*        G  13   9.977  -3.533  33.568
  132   2H5*    G  13          2H5*        G  13  11.431  -3.871  34.579
  133    H4*    G  13           H4*        G  13  11.550  -1.692  34.121
  134    H3*    G  13           H3*        G  13  11.292  -2.240  36.869
  135    H1*    G  13           H1*        G  13   9.404   0.575  34.803
  136    H8     G  13           H8         G  13   7.184  -2.296  35.657
  137    H1     G  13           H1         G  13   4.173   3.255  35.022
  138   1H2     G  13          1H2         G  13   5.917   4.970  34.898
  139   2H2     G  13          2H2         G  13   7.558   4.474  34.782
  140    H3T    G  13           H3T        G  13  12.770  -0.402  36.864
  141   1H2*    G  13          1H2*        G  13   9.105  -1.178  37.178
  142   2H2*    G  13          2H2*        G  13  10.040   0.368  37.024
  143   1H5*    C  14          1H5*        C  14  -0.032  10.861  34.903
  144   2H5*    C  14          2H5*        C  14   0.308  11.852  33.464
  145    H4*    C  14           H4*        C  14   2.446  11.481  34.541
  146    H3*    C  14           H3*        C  14   2.095  10.596  31.982
  147    H1*    C  14           H1*        C  14   3.979   8.359  34.634
  148   1H4     C  14          1H4         C  14   1.682   2.467  34.788
  149   2H4     C  14          2H4         C  14  -0.069   3.069  34.529
  150    H5     C  14           H5         C  14  -0.522   5.284  33.967
  151    H6     C  14           H6         C  14   0.477   7.552  33.745
  152    H5T    C  14           H5T        C  14  -1.203   9.977  33.198
  153   1H2*    C  14          1H2*        C  14   2.012   8.522  32.255
  154   2H2*    C  14          2H2*        C  14   3.716   8.300  32.232
  155   1H5*    C  15          1H5*        C  15   6.817   9.030  32.749
  156   2H5*    C  15          2H5*        C  15   7.634   9.897  31.432
  157    H4*    C  15           H4*        C  15   8.159   7.451  31.442
  158    H3*    C  15           H3*        C  15   6.786   8.873  29.305
  159    H1*    C  15           H1*        C  15   6.890   5.330  30.428
  160   1H4     C  15          1H4         C  15   2.060   1.666  31.249
  161   2H4     C  15          2H4         C  15   0.924   3.057  31.029
  162    H5     C  15           H5         C  15   1.463   5.280  31.040
  163    H6     C  15           H6         C  15   3.307   6.707  30.483
  164   1H2*    C  15          1H2*        C  15   5.184   7.483  29.114
  165   2H2*    C  15          2H2*        C  15   6.261   6.243  28.427
  166   1H5*    C  16          1H5*        C  16   9.704   4.609  29.437
  167   2H5*    C  16          2H5*        C  16  10.794   4.908  27.993
  168    H4*    C  16           H4*        C  16  10.389   2.572  28.481
  169    H3*    C  16           H3*        C  16   9.411   3.806  25.981
  170    H1*    C  16           H1*        C  16   8.293   0.715  27.973
  171   1H4     C  16          1H4         C  16   2.224  -0.433  27.796
  172   2H4     C  16          2H4         C  16   1.816   1.164  27.048
  173    H5     C  16           H5         C  16   3.525   3.064  27.955
  174    H6     C  16           H6         C  16   5.906   3.436  28.262
  175   1H2*    C  16          1H2*        C  16   7.433   2.985  26.156
  176   2H2*    C  16          2H2*        C  16   8.175   1.411  25.749
  177   1H5*    G  17          1H5*        G  17  10.274  -0.686  26.501
  178   2H5*    G  17          2H5*        G  17  11.634  -1.133  25.457
  179    H4*    G  17           H4*        G  17  10.435  -3.068  25.646
  180    H3*    G  17           H3*        G  17  10.793  -1.904  23.058
  181    H1*    G  17           H1*        G  17   7.788  -3.867  24.291
  182    H8     G  17           H8         G  17   6.807  -0.115  24.093
  183    H1     G  17           H1         G  17   2.139  -4.161  25.598
  184   1H2     G  17          1H2         G  17   2.880  -6.065  25.922
  185   2H2     G  17          2H2         G  17   4.657  -6.378  25.560
  186   1H2*    G  17          1H2*        G  17   8.651  -1.279  22.971
  187   2H2*    G  17          2H2*        G  17   8.340  -2.907  22.217
  188   1H5*    G  18          1H5*        G  18   8.524  -5.645  23.425
  189   2H5*    G  18          2H5*        G  18   9.310  -7.056  22.642
  190    H4*    G  18           H4*        G  18   7.047  -7.507  22.429
  191    H3*    G  18           H3*        G  18   8.029  -6.388  19.929
  192    H1*    G  18           H1*        G  18   4.810  -7.016  21.940
  193    H8     G  18           H8         G  18   5.403  -3.426  21.155
  194    H1     G  18           H1         G  18  -0.746  -4.796  22.305
  195   1H2     G  18          1H2         G  18  -0.727  -7.417  22.524
  196   2H2     G  18          2H2         G  18   0.882  -8.112  22.585
  197   1H2*    G  18          1H2*        G  18   5.871  -5.370  19.500
  198   2H2*    G  18          2H2*        G  18   5.359  -7.070  19.668
  199   1H5*    T  19          1H5*        T  19   4.998  -9.749  19.564
  200   2H5*    T  19          2H5*        T  19   5.322 -10.877  18.365
  201    H4*    T  19           H4*        T  19   3.173 -10.646  18.077
  202    H3*    T  19           H3*        T  19   4.635  -9.702  15.792
  203   1H2*    T  19          1H2*        T  19   3.768  -7.467  15.782
  204   2H2*    T  19          2H2*        T  19   2.449  -8.264  15.068
  205    H1*    T  19           H1*        T  19   1.305  -8.539  17.094
  206    H3     T  19           H3         T  19  -0.561  -4.617  18.105
  207   1H5M    T  19          1H5M        T  19   3.725  -2.836  18.559
  208   2H5M    T  19          2H5M        T  19   4.866  -3.921  17.651
  209   3H5M    T  19          3H5M        T  19   3.673  -2.892  16.732
  210    H6     T  19           H6         T  19   3.964  -6.057  17.659
  211   1H5*    A  20          1H5*        A  20   0.134 -10.849  15.811
  212   2H5*    A  20          2H5*        A  20  -0.045 -12.067  14.578
  213    H4*    A  20           H4*        A  20  -2.086 -10.758  14.722
  214    H3*    A  20           H3*        A  20  -0.596 -10.348  12.295
  215    H1*    A  20           H1*        A  20  -3.081  -8.380  14.356
  216    H8     A  20           H8         A  20   0.174  -6.492  14.493
  217   1H6     A  20          1H6         A  20  -3.433  -1.423  15.157
  218   2H6     A  20          2H6         A  20  -1.811  -1.926  14.689
  219    H2     A  20           H2         A  20  -5.825  -4.855  15.733
  220   1H2*    A  20          1H2*        A  20  -0.845  -7.947  12.485
  221   2H2*    A  20          2H2*        A  20  -2.638  -8.371  12.221
  222   1H5*    C  21          1H5*        C  21  -4.970  -9.045  12.193
  223   2H5*    C  21          2H5*        C  21  -5.651  -9.709  10.677
  224    H4*    C  21           H4*        C  21  -6.511  -7.532  10.839
  225    H3*    C  21           H3*        C  21  -4.290  -7.909   8.735
  226    H1*    C  21           H1*        C  21  -5.645  -4.916  10.948
  227   1H4     C  21          1H4         C  21  -0.641  -1.376  12.391
  228   2H4     C  21          2H4         C  21   0.444  -2.744  12.190
  229    H5     C  21           H5         C  21  -0.167  -4.901  11.635
  230    H6     C  21           H6         C  21  -2.190  -6.313  10.794
  231   1H2*    C  21          1H2*        C  21  -3.848  -5.632   8.889
  232   2H2*    C  21          2H2*        C  21  -5.498  -5.256   8.858
  233   1H5*    T  22          1H5*        T  22  -7.977  -5.551   8.460
  234   2H5*    T  22          2H5*        T  22  -8.771  -5.616   6.920
  235    H4*    T  22           H4*        T  22  -9.096  -3.538   7.835
  236    H3*    T  22           H3*        T  22  -7.849  -3.816   5.133
  237   1H2*    T  22          1H2*        T  22  -6.062  -2.747   5.582
  238   2H2*    T  22          2H2*        T  22  -7.126  -1.291   5.540
  239    H1*    T  22           H1*        T  22  -7.380  -1.153   7.756
  240    H3     T  22           H3         T  22  -3.242   0.660   9.154
  241   1H5M    T  22          1H5M        T  22  -1.047  -2.748   7.281
  242   2H5M    T  22          2H5M        T  22  -1.471  -3.540   8.788
  243   3H5M    T  22          3H5M        T  22  -2.303  -4.108   7.294
  244    H6     T  22           H6         T  22  -4.465  -3.581   7.334
  245   1H5*    T  23          1H5*        T  23  -9.675   0.314   6.025
  246   2H5*    T  23          2H5*        T  23 -10.632   0.871   4.626
  247    H4*    T  23           H4*        T  23  -9.101   2.601   5.316
  248    H3*    T  23           H3*        T  23  -9.146   1.407   2.541
  249   1H2*    T  23          1H2*        T  23  -6.832   1.362   2.529
  250   2H2*    T  23          2H2*        T  23  -7.023   3.134   2.229
  251    H1*    T  23           H1*        T  23  -6.574   3.468   4.640
  252    H3     T  23           H3         T  23  -2.300   2.596   5.812
  253   1H5M    T  23          1H5M        T  23  -2.392  -1.905   4.113
  254   2H5M    T  23          2H5M        T  23  -4.084  -2.163   4.679
  255   3H5M    T  23          3H5M        T  23  -3.817  -1.666   3.015
  256    H6     T  23           H6         T  23  -5.742  -0.307   3.846
  257   1H5*    T  24          1H5*        T  24  -7.818   5.604   3.425
  258   2H5*    T  24          2H5*        T  24  -8.958   6.741   2.552
  259    H4*    T  24           H4*        T  24  -6.595   7.700   2.580
  260    H3*    T  24           H3*        T  24  -7.713   7.250   0.010
  261   1H2*    T  24          1H2*        T  24  -6.100   5.437  -0.672
  262   2H2*    T  24          2H2*        T  24  -5.121   7.016  -0.870
  263    H1*    T  24           H1*        T  24  -4.145   6.957   1.024
  264    H3     T  24           H3         T  24  -0.837   4.132   1.591
  265   1H5M    T  24          1H5M        T  24  -3.696   0.302   1.109
  266   2H5M    T  24          2H5M        T  24  -5.239   1.053   0.590
  267   3H5M    T  24          3H5M        T  24  -4.108   0.889  -0.554
  268    H6     T  24           H6         T  24  -5.394   3.433   0.367
  269   1H5*    G  25          1H5*        G  25  -3.860   9.364   1.113
  270   2H5*    G  25          2H5*        G  25  -4.149  10.977   0.680
  271    H4*    G  25           H4*        G  25  -1.673  10.698   0.651
  272    H3*    G  25           H3*        G  25  -2.745  10.995  -1.994
  273    H1*    G  25           H1*        G  25   0.350   9.025  -0.844
  274    H8     G  25           H8         G  25  -2.538   6.663  -1.759
  275    H1     G  25           H1         G  25   3.289   4.071  -1.216
  276   1H2     G  25          1H2         G  25   4.750   5.713  -0.655
  277   2H2     G  25          2H2         G  25   4.078   7.369  -0.731
  278   1H2*    G  25          1H2*        G  25  -2.083   8.999  -2.646
  279   2H2*    G  25          2H2*        G  25  -0.516   9.784  -2.939
  280   1H5*    G  26          1H5*        G  26   1.812  11.647  -1.566
  281   2H5*    G  26          2H5*        G  26   2.231  13.242  -2.192
  282    H4*    G  26           H4*        G  26   4.220  11.940  -2.660
  283    H3*    G  26           H3*        G  26   2.623  12.450  -5.101
  284    H1*    G  26           H1*        G  26   4.840   9.470  -4.113
  285    H8     G  26           H8         G  26   1.106   8.487  -4.590
  286    H1     G  26           H1         G  26   4.996   3.364  -4.830
  287   1H2     G  26          1H2         G  26   6.889   3.818  -4.316
  288   2H2     G  26          2H2         G  26   7.388   5.556  -4.071
  289    H3T    G  26           H3T        G  26   4.725  12.812  -5.922
  290   1H2*    G  26          1H2*        G  26   2.499  10.338  -5.708
  291   2H2*    G  26          2H2*        G  26   4.290  10.400  -6.126
  Start of MODEL    8
    1   1H5*    C   1          1H5*        C   1  12.561  -3.319  -4.579
    2   2H5*    C   1          2H5*        C   1  11.037  -3.728  -5.166
    3    H4*    C   1           H4*        C   1  12.035  -0.778  -4.827
    4    H3*    C   1           H3*        C   1  10.532  -2.583  -2.940
    5    H1*    C   1           H1*        C   1  10.115   0.812  -4.589
    6   1H4     C   1          1H4         C   1   3.922   1.948  -4.572
    7   2H4     C   1          2H4         C   1   3.564   0.298  -5.053
    8    H5     C   1           H5         C   1   5.121  -1.445  -5.098
    9    H6     C   1           H6         C   1   7.625  -1.784  -5.230
   10    H5T    C   1           H5T        C   1  11.738  -2.744  -7.208
   11   1H2*    C   1          1H2*        C   1   8.873  -1.100  -2.830
   12   2H2*    C   1          2H2*        C   1  10.081   0.116  -2.465
   13   1H5*    C   2          1H5*        C   2  11.867   1.482  -1.388
   14   2H5*    C   2          2H5*        C   2  12.816   1.248   0.188
   15    H4*    C   2           H4*        C   2  11.874   3.061   0.282
   16    H3*    C   2           H3*        C   2  11.178   1.198   2.209
   17    H1*    C   2           H1*        C   2   8.724   3.919   0.863
   18   1H4     C   2          1H4         C   2   3.108   1.982  -1.233
   19   2H4     C   2          2H4         C   2   3.795   0.505  -1.955
   20    H5     C   2           H5         C   2   5.984  -0.158  -1.481
   21    H6     C   2           H6         C   2   8.157   0.511  -0.708
   22   1H2*    C   2          1H2*        C   2   9.048   0.917   1.484
   23   2H2*    C   2          2H2*        C   2   8.769   2.329   2.647
   24   1H5*    A   3          1H5*        A   3   9.574   5.431   6.184
   25   2H5*    A   3          2H5*        A   3   8.415   4.397   5.391
   26    H4*    A   3           H4*        A   3   8.982   7.061   4.276
   27    H3*    A   3           H3*        A   3   7.722   6.433   6.846
   28    H1*    A   3           H1*        A   3   5.740   6.962   3.572
   29    H8     A   3           H8         A   3   6.824   3.322   3.926
   30   1H6     A   3          1H6         A   3   0.795   1.700   3.133
   31   2H6     A   3          2H6         A   3   2.434   1.037   3.052
   32    H2     A   3           H2         A   3   1.019   6.016   3.566
   33   1H2*    A   3          1H2*        A   3   5.985   5.223   5.942
   34   2H2*    A   3          2H2*        A   3   5.253   6.967   5.746
   35   1H5*    A   4          1H5*        A   4   4.641   9.862   5.806
   36   2H5*    A   4          2H5*        A   4   4.692  10.922   7.314
   37    H4*    A   4           H4*        A   4   2.533   9.974   7.053
   38    H3*    A   4           H3*        A   4   3.868   9.157   9.531
   39    H1*    A   4           H1*        A   4   0.973   7.712   7.411
   40    H8     A   4           H8         A   4   4.083   5.511   7.478
   41   1H6     A   4          1H6         A   4  -0.037   0.945   5.903
   42   2H6     A   4          2H6         A   4   1.680   1.342   5.727
   43    H2     A   4           H2         A   4  -2.100   4.463   6.734
   44   1H2*    A   4          1H2*        A   4   3.047   6.897   9.299
   45   2H2*    A   4          2H2*        A   4   1.421   7.563   9.498
   46   1H5*    A   5          1H5*        A   5  -0.514   9.591   9.022
   47   2H5*    A   5          2H5*        A   5  -1.126  10.514  10.369
   48    H4*    A   5           H4*        A   5  -2.889   9.014   9.981
   49    H3*    A   5           H3*        A   5  -1.588   8.965  12.557
   50    H1*    A   5           H1*        A   5  -3.285   6.143  10.366
   51    H8     A   5           H8         A   5   0.511   5.551  10.889
   52   1H6     A   5          1H6         A   5  -1.247  -0.116   9.013
   53   2H6     A   5          2H6         A   5   0.150   0.749   9.622
   54    H2     A   5           H2         A   5  -4.660   2.398   8.641
   55   1H2*    A   5          1H2*        A   5  -1.145   6.658  12.526
   56   2H2*    A   5          2H2*        A   5  -2.863   6.555  12.809
   57   1H5*    G   6          1H5*        G   6  -5.491   7.113  11.742
   58   2H5*    G   6          2H5*        G   6  -6.685   8.037  12.753
   59    H4*    G   6           H4*        G   6  -7.643   6.139  12.619
   60    H3*    G   6           H3*        G   6  -6.852   6.567  15.262
   61    H1*    G   6           H1*        G   6  -6.980   2.998  13.400
   62    H8     G   6           H8         G   6  -3.250   4.189  13.985
   63    H1     G   6           H1         G   6  -4.186  -1.922  12.284
   64   1H2     G   6          1H2         G   6  -6.240  -2.608  12.871
   65   2H2     G   6          2H2         G   6  -7.178  -1.404  13.803
   66   1H2*    G   6          1H2*        G   6  -5.446   4.703  15.368
   67   2H2*    G   6          2H2*        G   6  -6.945   3.769  15.633
   68   1H5*  B1P   7          1H5*      B1P   7  -9.887   2.939  16.836
   69   2H5*  B1P   7          2H5*      B1P   7  -9.867   2.818  14.958
   70    H4*  B1P   7           H4*      B1P   7 -12.387   2.747  16.710
   71    H1*  B1P   7           H1*      B1P   7 -13.418   0.590  14.262
   72   HO1*  B1P   7          HO1*      B1P   7 -12.812  -0.028  12.576
   73   1H2*  B1P   7          1H2*      B1P   7 -10.519   0.301  14.157
   74   2H2*  B1P   7          2H2*      B1P   7 -11.541  -0.935  14.896
   75    H3*  B1P   7           H3*      B1P   7 -10.396   0.640  16.582
   76   1H5*    A   8          1H5*        A   8 -11.482  -2.350  17.194
   77   2H5*    A   8          2H5*        A   8 -12.337  -2.587  18.691
   78    H4*    A   8           H4*        A   8 -10.736  -4.285  18.657
   79    H3*    A   8           H3*        A   8 -10.628  -2.178  20.700
   80    H1*    A   8           H1*        A   8  -7.993  -4.507  19.168
   81    H8     A   8           H8         A   8  -7.545  -0.511  18.673
   82   1H6     A   8          1H6         A   8  -1.625  -1.823  17.379
   83   2H6     A   8          2H6         A   8  -2.956  -0.585  17.322
   84    H2     A   8           H2         A   8  -3.550  -5.492  18.865
   85   1H2*    A   8          1H2*        A   8  -8.394  -1.966  20.708
   86   2H2*    A   8          2H2*        A   8  -8.351  -3.756  21.186
   87   1H5*    C   9          1H5*        C   9  -9.618  -6.442  21.413
   88   2H5*    C   9          2H5*        C   9 -10.044  -7.189  22.924
   89    H4*    C   9           H4*        C   9  -7.709  -7.891  22.309
   90    H3*    C   9           H3*        C   9  -8.216  -6.758  24.828
   91    H1*    C   9           H1*        C   9  -5.147  -6.666  22.533
   92   1H4     C   9          1H4         C   9  -2.308  -1.214  21.394
   93   2H4     C   9          2H4         C   9  -3.588  -0.212  22.091
   94    H5     C   9           H5         C   9  -5.725  -1.236  22.726
   95    H6     C   9           H6         C   9  -6.863  -3.191  23.071
   96   1H2*    C   9          1H2*        C   9  -6.516  -5.063  24.670
   97   2H2*    C   9          2H2*        C   9  -5.440  -6.447  24.771
   98   1H5*    C  10          1H5*        C  10  -4.276  -8.669  23.883
   99   2H5*    C  10          2H5*        C  10  -4.272 -10.221  24.659
  100    H4*    C  10           H4*        C  10  -2.120  -9.748  24.396
  101    H3*    C  10           H3*        C  10  -2.858  -9.161  27.159
  102    H1*    C  10           H1*        C  10  -0.209  -7.431  24.856
  103   1H4     C  10          1H4         C  10   0.017  -1.450  25.022
  104   2H4     C  10          2H4         C  10  -1.564  -1.103  25.642
  105    H5     C  10           H5         C  10  -3.199  -2.969  25.720
  106    H6     C  10           H6         C  10  -3.190  -5.529  25.489
  107   1H2*    C  10          1H2*        C  10  -2.002  -7.023  27.336
  108   2H2*    C  10          2H2*        C  10  -0.383  -7.553  27.285
  109   1H5*    G  11          1H5*        G  11   2.096 -10.009  26.079
  110   2H5*    G  11          2H5*        G  11   2.321 -11.254  27.128
  111    H4*    G  11           H4*        G  11   4.219  -9.936  26.904
  112    H3*    G  11           H3*        G  11   3.176  -9.992  29.545
  113    H1*    G  11           H1*        G  11   4.944  -7.091  27.902
  114    H8     G  11           H8         G  11   1.097  -6.429  28.068
  115    H1     G  11           H1         G  11   4.556  -1.136  27.100
  116   1H2     G  11          1H2         G  11   6.707  -1.715  26.810
  117   2H2     G  11          2H2         G  11   7.055  -3.457  27.067
  118   1H2*    G  11          1H2*        G  11   2.538  -7.792  29.638
  119   2H2*    G  11          2H2*        G  11   4.244  -7.531  30.179
  120   1H5*    G  12          1H5*        G  12   7.126  -7.794  28.814
  121   2H5*    G  12          2H5*        G  12   8.511  -8.492  29.660
  122    H4*    G  12           H4*        G  12   8.800  -6.070  29.650
  123    H3*    G  12           H3*        G  12   7.791  -6.940  32.291
  124    H1*    G  12           H1*        G  12   7.650  -3.717  30.036
  125    H8     G  12           H8         G  12   4.401  -5.290  31.172
  126    H1     G  12           H1         G  12   4.777   1.158  30.853
  127   1H2     G  12          1H2         G  12   7.176   1.827  30.457
  128   2H2     G  12          2H2         G  12   8.163   0.368  30.269
  129   1H2*    G  12          1H2*        G  12   6.874  -4.926  32.727
  130   2H2*    G  12          2H2*        G  12   8.339  -4.086  32.307
  131   1H5*    G  13          1H5*        G  13  11.133  -3.825  31.339
  132   2H5*    G  13          2H5*        G  13  12.647  -4.065  32.203
  133    H4*    G  13           H4*        G  13  12.360  -1.682  31.968
  134    H3*    G  13           H3*        G  13  12.570  -2.912  34.522
  135    H1*    G  13           H1*        G  13  10.242   0.024  33.634
  136    H8     G  13           H8         G  13   8.187  -3.176  34.606
  137    H1     G  13           H1         G  13   5.156   2.666  34.802
  138   1H2     G  13          1H2         G  13   6.517   4.286  33.952
  139   2H2     G  13          2H2         G  13   8.082   3.709  33.392
  140    H3T    G  13           H3T        G  13  13.519  -0.778  34.993
  141   1H2*    G  13          1H2*        G  13  10.580  -2.567  35.269
  142   2H2*    G  13          2H2*        G  13  11.230  -0.939  35.634
  143   1H5*    C  14          1H5*        C  14   0.636   9.963  37.290
  144   2H5*    C  14          2H5*        C  14   0.602  11.072  35.883
  145    H4*    C  14           H4*        C  14   2.987  10.425  36.236
  146    H3*    C  14           H3*        C  14   1.767  10.234  33.629
  147    H1*    C  14           H1*        C  14   4.628   7.929  35.328
  148   1H4     C  14          1H4         C  14   2.948   1.597  35.670
  149   2H4     C  14          2H4         C  14   1.540   2.182  36.473
  150    H5     C  14           H5         C  14   0.638   4.242  36.111
  151    H6     C  14           H6         C  14   1.187   6.656  35.782
  152    H5T    C  14           H5T        C  14  -0.821   8.951  36.197
  153   1H2*    C  14          1H2*        C  14   1.954   7.834  33.682
  154   2H2*    C  14          2H2*        C  14   3.513   8.324  33.172
  155   1H5*    C  15          1H5*        C  15   6.084   8.941  33.694
  156   2H5*    C  15          2H5*        C  15   6.927  10.024  32.638
  157    H4*    C  15           H4*        C  15   7.694   7.787  32.167
  158    H3*    C  15           H3*        C  15   6.203   9.091  30.095
  159    H1*    C  15           H1*        C  15   6.669   5.366  30.823
  160   1H4     C  15          1H4         C  15   2.112   1.506  32.104
  161   2H4     C  15          2H4         C  15   0.740   2.628  32.331
  162    H5     C  15           H5         C  15   1.230   5.011  31.827
  163    H6     C  15           H6         C  15   2.953   6.705  31.332
  164   1H2*    C  15          1H2*        C  15   4.752   7.470  29.683
  165   2H2*    C  15          2H2*        C  15   6.099   6.663  28.910
  166   1H5*    C  16          1H5*        C  16   9.061   5.793  29.523
  167   2H5*    C  16          2H5*        C  16  10.269   6.269  28.369
  168    H4*    C  16           H4*        C  16  10.225   4.006  28.193
  169    H3*    C  16           H3*        C  16   9.615   5.454  25.881
  170    H1*    C  16           H1*        C  16   8.496   2.016  26.770
  171   1H4     C  16          1H4         C  16   2.274   0.420  27.777
  172   2H4     C  16          2H4         C  16   2.020   2.197  28.113
  173    H5     C  16           H5         C  16   3.382   3.978  27.639
  174    H6     C  16           H6         C  16   5.754   4.483  27.609
  175   1H2*    C  16          1H2*        C  16   7.386   4.737  25.841
  176   2H2*    C  16          2H2*        C  16   8.079   3.380  24.944
  177   1H5*    G  17          1H5*        G  17  10.562   0.742  25.259
  178   2H5*    G  17          2H5*        G  17  11.520   0.701  23.755
  179    H4*    G  17           H4*        G  17  10.018  -1.353  24.017
  180    H3*    G  17           H3*        G  17   9.921   0.400  21.674
  181    H1*    G  17           H1*        G  17   7.450  -2.102  23.629
  182    H8     G  17           H8         G  17   6.217   1.676  23.827
  183    H1     G  17           H1         G  17   1.618  -2.835  24.289
  184   1H2     G  17          1H2         G  17   2.697  -4.820  24.035
  185   2H2     G  17          2H2         G  17   4.468  -4.782  23.777
  186   1H2*    G  17          1H2*        G  17   7.478   0.435  21.787
  187   2H2*    G  17          2H2*        G  17   7.561  -1.228  21.416
  188   1H5*    G  18          1H5*        G  18   8.207  -3.835  22.065
  189   2H5*    G  18          2H5*        G  18   9.098  -5.053  21.118
  190    H4*    G  18           H4*        G  18   7.046  -5.840  21.309
  191    H3*    G  18           H3*        G  18   7.233  -4.457  18.671
  192    H1*    G  18           H1*        G  18   4.523  -5.401  21.279
  193    H8     G  18           H8         G  18   4.742  -1.888  20.235
  194    H1     G  18           H1         G  18  -1.413  -3.901  21.262
  195   1H2     G  18          1H2         G  18  -1.417  -5.927  21.566
  196   2H2     G  18          2H2         G  18   0.016  -6.924  21.348
  197   1H2*    G  18          1H2*        G  18   4.886  -4.334  18.434
  198   2H2*    G  18          2H2*        G  18   4.619  -5.994  19.057
  199   1H5*    T  19          1H5*        T  19   4.842  -8.457  19.154
  200   2H5*    T  19          2H5*        T  19   5.424  -9.643  17.992
  201    H4*    T  19           H4*        T  19   3.189 -10.065  18.233
  202    H3*    T  19           H3*        T  19   4.239  -9.340  15.795
  203   1H2*    T  19          1H2*        T  19   2.847  -7.355  15.325
  204   2H2*    T  19          2H2*        T  19   1.519  -8.625  15.094
  205    H1*    T  19           H1*        T  19   0.844  -8.503  17.267
  206    H3     T  19           H3         T  19  -1.534  -4.483  17.614
  207   1H5M    T  19          1H5M        T  19   2.293  -2.225  16.062
  208   2H5M    T  19          2H5M        T  19   3.071  -2.494  17.659
  209   3H5M    T  19          3H5M        T  19   3.617  -3.291  16.340
  210    H6     T  19           H6         T  19   3.149  -5.581  17.127
  211   1H5*    A  20          1H5*        A  20   0.015 -11.643  15.726
  212   2H5*    A  20          2H5*        A  20  -0.028 -12.454  14.081
  213    H4*    A  20           H4*        A  20  -2.327 -11.672  14.639
  214    H3*    A  20           H3*        A  20  -0.692 -10.788  12.401
  215    H1*    A  20           H1*        A  20  -3.512  -9.032  14.285
  216    H8     A  20           H8         A  20  -0.215  -7.357  14.162
  217   1H6     A  20          1H6         A  20  -3.282  -2.182  14.827
  218   2H6     A  20          2H6         A  20  -1.733  -2.782  14.410
  219    H2     A  20           H2         A  20  -6.107  -5.434  15.376
  220   1H2*    A  20          1H2*        A  20  -1.331  -8.507  12.464
  221   2H2*    A  20          2H2*        A  20  -2.921  -9.078  12.195
  222   1H5*    C  21          1H5*        C  21  -4.994 -10.073  12.079
  223   2H5*    C  21          2H5*        C  21  -5.796 -11.073  11.028
  224    H4*    C  21           H4*        C  21  -7.083  -9.187  11.024
  225    H3*    C  21           H3*        C  21  -5.513  -9.119   8.574
  226    H1*    C  21           H1*        C  21  -6.332  -6.216  11.129
  227   1H4     C  21          1H4         C  21  -1.365  -2.257  11.730
  228   2H4     C  21          2H4         C  21  -0.258  -3.452  11.437
  229    H5     C  21           H5         C  21  -0.989  -5.629  11.029
  230    H6     C  21           H6         C  21  -2.880  -7.189  10.598
  231   1H2*    C  21          1H2*        C  21  -4.698  -6.832   8.855
  232   2H2*    C  21          2H2*        C  21  -6.333  -6.393   9.016
  233   1H5*    T  22          1H5*        T  22  -8.825  -5.898   9.468
  234   2H5*    T  22          2H5*        T  22 -10.045  -5.845   8.139
  235    H4*    T  22           H4*        T  22  -9.369  -3.556   8.494
  236    H3*    T  22           H3*        T  22  -8.141  -4.606   6.000
  237   1H2*    T  22          1H2*        T  22  -6.383  -3.159   6.053
  238   2H2*    T  22          2H2*        T  22  -7.519  -1.726   6.293
  239    H1*    T  22           H1*        T  22  -7.292  -1.708   8.546
  240    H3     T  22           H3         T  22  -3.118  -0.315   8.527
  241   1H5M    T  22          1H5M        T  22  -1.879  -5.192   8.174
  242   2H5M    T  22          2H5M        T  22  -3.021  -5.460   6.856
  243   3H5M    T  22          3H5M        T  22  -1.632  -4.205   6.742
  244    H6     T  22           H6         T  22  -5.071  -4.691   7.735
  245   1H5*    T  23          1H5*        T  23  -9.779  -0.108   6.439
  246   2H5*    T  23          2H5*        T  23 -10.830   0.231   5.009
  247    H4*    T  23           H4*        T  23  -9.465   2.209   5.502
  248    H3*    T  23           H3*        T  23  -9.152   0.725   3.001
  249   1H2*    T  23          1H2*        T  23  -6.891   0.657   2.962
  250   2H2*    T  23          2H2*        T  23  -6.858   2.469   2.918
  251    H1*    T  23           H1*        T  23  -6.663   2.605   5.155
  252    H3     T  23           H3         T  23  -2.297   1.948   5.723
  253   1H5M    T  23          1H5M        T  23  -2.887  -2.476   3.591
  254   2H5M    T  23          2H5M        T  23  -3.170  -2.781   5.291
  255   3H5M    T  23          3H5M        T  23  -4.538  -2.814   4.287
  256    H6     T  23           H6         T  23  -5.789  -0.959   4.482
  257   1H5*    T  24          1H5*        T  24  -8.101   5.111   4.054
  258   2H5*    T  24          2H5*        T  24  -8.844   6.283   2.870
  259    H4*    T  24           H4*        T  24  -7.070   7.515   3.731
  260    H3*    T  24           H3*        T  24  -7.478   7.103   1.273
  261   1H2*    T  24          1H2*        T  24  -5.863   5.377   0.775
  262   2H2*    T  24          2H2*        T  24  -4.742   6.768   0.425
  263    H1*    T  24           H1*        T  24  -3.969   6.687   2.704
  264    H3     T  24           H3         T  24  -0.502   3.784   3.146
  265   1H5M    T  24          1H5M        T  24  -4.588   1.412   0.634
  266   2H5M    T  24          2H5M        T  24  -2.940   0.899   0.309
  267   3H5M    T  24          3H5M        T  24  -3.809   0.339   1.729
  268    H6     T  24           H6         T  24  -5.066   3.375   1.659
  269   1H5*    G  25          1H5*        G  25  -3.703   9.563   2.577
  270   2H5*    G  25          2H5*        G  25  -3.701  10.953   1.546
  271    H4*    G  25           H4*        G  25  -1.385  10.662   2.120
  272    H3*    G  25           H3*        G  25  -2.206  10.472  -0.586
  273    H1*    G  25           H1*        G  25   0.646   8.747   1.113
  274    H8     G  25           H8         G  25  -2.350   6.190   0.701
  275    H1     G  25           H1         G  25   3.556   3.956  -0.464
  276   1H2     G  25          1H2         G  25   5.006   5.352   0.269
  277   2H2     G  25          2H2         G  25   4.327   7.037   0.534
  278   1H2*    G  25          1H2*        G  25  -1.578   8.442  -0.960
  279   2H2*    G  25          2H2*        G  25   0.006   9.139  -1.267
  280   1H5*    G  26          1H5*        G  26   2.300  10.528   0.950
  281   2H5*    G  26          2H5*        G  26   2.862  12.192   0.387
  282    H4*    G  26           H4*        G  26   4.654  10.424   0.557
  283    H3*    G  26           H3*        G  26   4.130  12.027  -1.785
  284    H1*    G  26           H1*        G  26   5.714   8.682  -1.175
  285    H8     G  26           H8         G  26   2.059   8.484  -2.664
  286    H1     G  26           H1         G  26   5.792   3.384  -3.617
  287   1H2     G  26          1H2         G  26   8.072   3.905  -2.968
  288   2H2     G  26          2H2         G  26   8.096   5.678  -2.340
  289    H3T    G  26           H3T        G  26   6.575  10.893  -1.137
  290   1H2*    G  26          1H2*        G  26   4.003  10.349  -3.275
  291   2H2*    G  26          2H2*        G  26   5.765  10.276  -3.030
  Start of MODEL    9
    1   1H5*    C   1          1H5*        C   1  11.635  -4.316  -4.187
    2   2H5*    C   1          2H5*        C   1   9.990  -4.174  -4.942
    3    H4*    C   1           H4*        C   1  12.000  -1.819  -4.504
    4    H3*    C   1           H3*        C   1   9.778  -2.973  -2.707
    5    H1*    C   1           H1*        C   1  10.106   0.384  -4.784
    6   1H4     C   1          1H4         C   1   4.022   1.942  -5.570
    7   2H4     C   1          2H4         C   1   3.810   0.247  -6.189
    8    H5     C   1           H5         C   1   5.237  -1.424  -5.897
    9    H6     C   1           H6         C   1   7.656  -2.052  -5.517
   10    H5T    C   1           H5T        C   1  11.733  -3.032  -6.575
   11   1H2*    C   1          1H2*        C   1   8.511  -0.914  -2.798
   12   2H2*    C   1          2H2*        C   1   9.899   0.029  -2.545
   13   1H5*    C   2          1H5*        C   2  11.924   0.861  -1.288
   14   2H5*    C   2          2H5*        C   2  12.664   0.555   0.246
   15    H4*    C   2           H4*        C   2  11.976   2.882   0.184
   16    H3*    C   2           H3*        C   2  10.968   1.255   2.252
   17    H1*    C   2           H1*        C   2   8.822   3.905   0.475
   18   1H4     C   2          1H4         C   2   3.404   2.148  -1.702
   19   2H4     C   2          2H4         C   2   3.775   0.463  -2.091
   20    H5     C   2           H5         C   2   6.073  -0.207  -1.878
   21    H6     C   2           H6         C   2   8.227   0.356  -0.759
   22   1H2*    C   2          1H2*        C   2   8.723   1.094   1.545
   23   2H2*    C   2          2H2*        C   2   8.523   2.574   2.405
   24   1H5*    A   3          1H5*        A   3   9.672   5.603   5.783
   25   2H5*    A   3          2H5*        A   3   8.338   4.427   5.386
   26    H4*    A   3           H4*        A   3   8.790   7.257   3.949
   27    H3*    A   3           H3*        A   3   8.046   6.878   6.557
   28    H1*    A   3           H1*        A   3   5.439   7.276   3.840
   29    H8     A   3           H8         A   3   6.375   3.516   4.015
   30   1H6     A   3          1H6         A   3   0.656   2.144   2.467
   31   2H6     A   3          2H6         A   3   2.202   1.567   2.725
   32    H2     A   3           H2         A   3   0.672   6.378   3.539
   33   1H2*    A   3          1H2*        A   3   6.156   5.585   6.137
   34   2H2*    A   3          2H2*        A   3   5.295   7.070   6.113
   35   1H5*    A   4          1H5*        A   4   4.803   9.488   5.725
   36   2H5*    A   4          2H5*        A   4   4.667  10.867   6.795
   37    H4*    A   4           H4*        A   4   2.610  10.084   6.923
   38    H3*    A   4           H3*        A   4   4.097   9.553   9.352
   39    H1*    A   4           H1*        A   4   1.189   7.625   7.678
   40    H8     A   4           H8         A   4   4.474   5.484   7.877
   41   1H6     A   4          1H6         A   4   0.258   1.151   6.199
   42   2H6     A   4          2H6         A   4   2.003   1.144   6.505
   43    H2     A   4           H2         A   4  -1.874   4.582   6.637
   44   1H2*    A   4          1H2*        A   4   3.650   7.228   9.387
   45   2H2*    A   4          2H2*        A   4   2.094   7.843   9.964
   46   1H5*    A   5          1H5*        A   5  -0.459   9.831   8.861
   47   2H5*    A   5          2H5*        A   5  -1.160  10.691  10.195
   48    H4*    A   5           H4*        A   5  -2.655   9.006   9.673
   49    H3*    A   5           H3*        A   5  -1.424   9.264  12.283
   50    H1*    A   5           H1*        A   5  -2.865   6.160  10.302
   51    H8     A   5           H8         A   5   1.092   5.614  10.611
   52   1H6     A   5          1H6         A   5  -0.402  -0.155   8.953
   53   2H6     A   5          2H6         A   5   0.822   0.893   9.649
   54    H2     A   5           H2         A   5  -4.117   2.284   9.022
   55   1H2*    A   5          1H2*        A   5  -0.497   7.095  12.066
   56   2H2*    A   5          2H2*        A   5  -2.119   6.547  12.731
   57   1H5*    G   6          1H5*        G   6  -5.873   7.263  11.362
   58   2H5*    G   6          2H5*        G   6  -6.732   8.110  12.615
   59    H4*    G   6           H4*        G   6  -8.144   6.267  11.851
   60    H3*    G   6           H3*        G   6  -7.389   6.548  14.609
   61    H1*    G   6           H1*        G   6  -7.405   3.056  12.806
   62    H8     G   6           H8         G   6  -3.780   4.595  13.435
   63    H1     G   6           H1         G   6  -4.184  -1.683  11.972
   64   1H2     G   6          1H2         G   6  -6.567  -2.267  11.580
   65   2H2     G   6          2H2         G   6  -7.623  -0.875  11.989
   66   1H2*    G   6          1H2*        G   6  -6.189   4.508  14.944
   67   2H2*    G   6          2H2*        G   6  -7.744   3.822  14.681
   68   1H5*  B1P   7          1H5*      B1P   7  -9.910   3.277  16.809
   69   2H5*  B1P   7          2H5*      B1P   7  -9.866   2.794  15.268
   70    H4*  B1P   7           H4*      B1P   7 -12.599   2.937  16.597
   71    H1*  B1P   7           H1*      B1P   7 -12.901   0.200  14.763
   72   HO1*  B1P   7          HO1*      B1P   7 -12.481   0.165  12.782
   73   1H2*  B1P   7          1H2*      B1P   7  -9.855   0.424  15.191
   74   2H2*  B1P   7          2H2*      B1P   7 -11.013  -0.779  15.791
   75    H3*  B1P   7           H3*      B1P   7 -10.695   1.108  17.498
   76   1H5*    A   8          1H5*        A   8 -11.442  -2.200  17.443
   77   2H5*    A   8          2H5*        A   8 -12.581  -2.718  18.748
   78    H4*    A   8           H4*        A   8 -10.855  -4.289  18.453
   79    H3*    A   8           H3*        A   8 -10.547  -2.646  20.933
   80    H1*    A   8           H1*        A   8  -7.942  -4.501  18.703
   81    H8     A   8           H8         A   8  -7.700  -0.883  18.332
   82   1H6     A   8          1H6         A   8  -1.640  -2.128  18.804
   83   2H6     A   8          2H6         A   8  -2.673  -0.775  18.666
   84    H2     A   8           H2         A   8  -3.612  -5.915  18.853
   85   1H2*    A   8          1H2*        A   8  -8.335  -2.382  20.845
   86   2H2*    A   8          2H2*        A   8  -8.126  -4.169  20.920
   87   1H5*    C   9          1H5*        C   9  -8.678  -6.667  21.039
   88   2H5*    C   9          2H5*        C   9  -9.522  -7.544  22.206
   89    H4*    C   9           H4*        C   9  -7.133  -8.335  22.239
   90    H3*    C   9           H3*        C   9  -8.208  -7.238  24.691
   91    H1*    C   9           H1*        C   9  -4.635  -6.922  23.071
   92   1H4     C   9          1H4         C   9  -2.106  -1.535  21.330
   93   2H4     C   9          2H4         C   9  -3.496  -0.549  21.983
   94    H5     C   9           H5         C   9  -5.724  -1.516  22.276
   95    H6     C   9           H6         C   9  -6.723  -3.579  22.851
   96   1H2*    C   9          1H2*        C   9  -6.737  -5.465  24.720
   97   2H2*    C   9          2H2*        C   9  -5.476  -6.518  25.216
   98   1H5*    C  10          1H5*        C  10  -4.050  -9.093  23.645
   99   2H5*    C  10          2H5*        C  10  -3.591 -10.331  24.867
  100    H4*    C  10           H4*        C  10  -1.654  -9.185  24.221
  101    H3*    C  10           H3*        C  10  -2.759  -9.083  26.924
  102    H1*    C  10           H1*        C  10  -0.505  -7.292  24.614
  103   1H4     C  10          1H4         C  10  -0.369  -1.110  24.267
  104   2H4     C  10          2H4         C  10  -2.038  -0.867  24.486
  105    H5     C  10           H5         C  10  -3.451  -2.866  25.385
  106    H6     C  10           H6         C  10  -3.228  -5.285  25.697
  107   1H2*    C  10          1H2*        C  10  -1.777  -6.767  27.228
  108   2H2*    C  10          2H2*        C  10  -0.182  -7.558  26.899
  109   1H5*    G  11          1H5*        G  11   1.742  -9.667  26.159
  110   2H5*    G  11          2H5*        G  11   2.235 -10.944  26.911
  111    H4*    G  11           H4*        G  11   4.159  -9.877  26.703
  112    H3*    G  11           H3*        G  11   3.364 -10.160  29.428
  113    H1*    G  11           H1*        G  11   4.853  -6.823  28.064
  114    H8     G  11           H8         G  11   0.996  -6.593  28.590
  115    H1     G  11           H1         G  11   4.111  -1.029  27.428
  116   1H2     G  11          1H2         G  11   6.411  -1.504  27.008
  117   2H2     G  11          2H2         G  11   6.791  -3.299  27.025
  118   1H2*    G  11          1H2*        G  11   2.713  -7.968  29.716
  119   2H2*    G  11          2H2*        G  11   4.422  -7.795  30.014
  120   1H5*    G  12          1H5*        G  12   6.926  -7.952  28.696
  121   2H5*    G  12          2H5*        G  12   8.386  -8.498  29.447
  122    H4*    G  12           H4*        G  12   8.668  -6.023  29.343
  123    H3*    G  12           H3*        G  12   7.812  -7.093  32.083
  124    H1*    G  12           H1*        G  12   7.745  -3.786  29.852
  125    H8     G  12           H8         G  12   4.490  -5.238  31.449
  126    H1     G  12           H1         G  12   5.022   1.085  31.047
  127   1H2     G  12          1H2         G  12   6.976   1.693  30.875
  128   2H2     G  12          2H2         G  12   8.129   0.508  30.206
  129   1H2*    G  12          1H2*        G  12   7.060  -5.053  32.564
  130   2H2*    G  12          2H2*        G  12   8.594  -4.239  31.910
  131   1H5*    G  13          1H5*        G  13  10.902  -4.061  31.425
  132   2H5*    G  13          2H5*        G  13  12.253  -4.556  32.426
  133    H4*    G  13           H4*        G  13  12.156  -2.147  32.123
  134    H3*    G  13           H3*        G  13  12.076  -3.304  34.711
  135    H1*    G  13           H1*        G  13  10.391   0.038  33.575
  136    H8     G  13           H8         G  13   8.040  -3.207  34.179
  137    H1     G  13           H1         G  13   4.876   2.394  34.319
  138   1H2     G  13          1H2         G  13   6.153   4.054  33.783
  139   2H2     G  13          2H2         G  13   7.845   3.827  33.863
  140    H3T    G  13           H3T        G  13  13.471  -1.481  35.111
  141   1H2*    G  13          1H2*        G  13  10.219  -2.365  35.487
  142   2H2*    G  13          2H2*        G  13  11.169  -0.809  35.542
  143   1H5*    C  14          1H5*        C  14   1.234   9.341  37.986
  144   2H5*    C  14          2H5*        C  14   0.778  10.478  36.762
  145    H4*    C  14           H4*        C  14   3.264  10.057  36.601
  146    H3*    C  14           H3*        C  14   1.433   9.538  34.480
  147    H1*    C  14           H1*        C  14   4.440   7.404  35.347
  148   1H4     C  14          1H4         C  14   2.638   1.372  35.187
  149   2H4     C  14          2H4         C  14   1.138   1.696  35.934
  150    H5     C  14           H5         C  14   0.330   3.936  36.175
  151    H6     C  14           H6         C  14   1.138   6.277  36.561
  152    H5T    C  14           H5T        C  14  -0.785   8.956  36.622
  153   1H2*    C  14          1H2*        C  14   1.588   7.436  34.259
  154   2H2*    C  14          2H2*        C  14   3.180   7.735  33.495
  155   1H5*    C  15          1H5*        C  15   5.827   9.093  33.457
  156   2H5*    C  15          2H5*        C  15   6.209  10.219  32.197
  157    H4*    C  15           H4*        C  15   7.815   8.463  32.053
  158    H3*    C  15           H3*        C  15   6.454   9.408  29.938
  159    H1*    C  15           H1*        C  15   6.904   5.820  30.329
  160   1H4     C  15          1H4         C  15   2.557   1.486  30.880
  161   2H4     C  15          2H4         C  15   1.275   2.652  31.185
  162    H5     C  15           H5         C  15   1.802   4.853  31.660
  163    H6     C  15           H6         C  15   3.365   6.579  31.380
  164   1H2*    C  15          1H2*        C  15   4.732   7.831  29.743
  165   2H2*    C  15          2H2*        C  15   5.829   6.936  28.693
  166   1H5*    C  16          1H5*        C  16   9.127   5.634  29.164
  167   2H5*    C  16          2H5*        C  16  10.207   6.109  27.888
  168    H4*    C  16           H4*        C  16   9.986   3.649  27.765
  169    H3*    C  16           H3*        C  16   9.219   5.483  25.597
  170    H1*    C  16           H1*        C  16   8.048   2.005  26.900
  171   1H4     C  16          1H4         C  16   2.067   0.427  27.727
  172   2H4     C  16          2H4         C  16   1.544   2.095  27.615
  173    H5     C  16           H5         C  16   3.134   3.985  27.748
  174    H6     C  16           H6         C  16   5.579   4.589  27.547
  175   1H2*    C  16          1H2*        C  16   7.047   4.590  25.394
  176   2H2*    C  16          2H2*        C  16   7.933   3.262  24.757
  177   1H5*    G  17          1H5*        G  17  10.429   1.058  25.236
  178   2H5*    G  17          2H5*        G  17  11.269   0.844  23.838
  179    H4*    G  17           H4*        G  17  10.227  -1.276  23.950
  180    H3*    G  17           H3*        G  17   9.927   0.319  21.565
  181    H1*    G  17           H1*        G  17   7.249  -1.893  23.248
  182    H8     G  17           H8         G  17   6.240   1.882  23.619
  183    H1     G  17           H1         G  17   1.559  -2.438  24.274
  184   1H2     G  17          1H2         G  17   2.569  -4.732  24.221
  185   2H2     G  17          2H2         G  17   4.324  -4.722  23.886
  186   1H2*    G  17          1H2*        G  17   7.761   0.692  21.942
  187   2H2*    G  17          2H2*        G  17   7.496  -0.853  21.103
  188   1H5*    G  18          1H5*        G  18   8.357  -4.320  22.489
  189   2H5*    G  18          2H5*        G  18   9.123  -4.982  21.079
  190    H4*    G  18           H4*        G  18   7.058  -6.350  21.252
  191    H3*    G  18           H3*        G  18   7.349  -4.701  18.827
  192    H1*    G  18           H1*        G  18   4.342  -5.758  21.097
  193    H8     G  18           H8         G  18   5.067  -2.049  20.619
  194    H1     G  18           H1         G  18  -1.069  -3.582  21.367
  195   1H2     G  18          1H2         G  18  -1.220  -6.014  21.643
  196   2H2     G  18          2H2         G  18   0.302  -6.824  21.410
  197   1H2*    G  18          1H2*        G  18   5.025  -4.237  18.662
  198   2H2*    G  18          2H2*        G  18   4.687  -5.929  18.859
  199   1H5*    T  19          1H5*        T  19   5.033  -8.694  19.451
  200   2H5*    T  19          2H5*        T  19   5.289  -9.879  18.050
  201    H4*    T  19           H4*        T  19   3.041  -9.867  18.882
  202    H3*    T  19           H3*        T  19   4.057  -9.373  16.066
  203   1H2*    T  19          1H2*        T  19   2.601  -7.468  15.479
  204   2H2*    T  19          2H2*        T  19   1.403  -8.697  15.573
  205    H1*    T  19           H1*        T  19   0.786  -8.316  17.760
  206    H3     T  19           H3         T  19  -1.416  -4.416  18.096
  207   1H5M    T  19          1H5M        T  19   3.110  -2.362  17.793
  208   2H5M    T  19          2H5M        T  19   3.902  -3.448  16.627
  209   3H5M    T  19          3H5M        T  19   2.592  -2.250  15.971
  210    H6     T  19           H6         T  19   3.293  -5.491  17.020
  211   1H5*    A  20          1H5*        A  20  -0.415 -10.794  16.405
  212   2H5*    A  20          2H5*        A  20  -0.668 -11.993  15.084
  213    H4*    A  20           H4*        A  20  -2.647 -10.730  15.078
  214    H3*    A  20           H3*        A  20  -0.756 -10.141  12.892
  215    H1*    A  20           H1*        A  20  -3.524  -8.280  14.986
  216    H8     A  20           H8         A  20   0.075  -6.756  14.297
  217   1H6     A  20          1H6         A  20  -2.994  -1.472  15.764
  218   2H6     A  20          2H6         A  20  -1.396  -1.974  15.148
  219    H2     A  20           H2         A  20  -5.936  -4.616  15.401
  220   1H2*    A  20          1H2*        A  20  -1.624  -7.940  12.684
  221   2H2*    A  20          2H2*        A  20  -3.383  -8.487  12.659
  222   1H5*    C  21          1H5*        C  21  -5.340 -10.101  12.413
  223   2H5*    C  21          2H5*        C  21  -5.988 -10.835  10.963
  224    H4*    C  21           H4*        C  21  -6.988  -8.596  11.413
  225    H3*    C  21           H3*        C  21  -5.670  -9.172   8.750
  226    H1*    C  21           H1*        C  21  -6.302  -5.853  10.741
  227   1H4     C  21          1H4         C  21  -1.723  -2.190  12.148
  228   2H4     C  21          2H4         C  21  -0.493  -3.500  12.011
  229    H5     C  21           H5         C  21  -0.971  -5.677  10.948
  230    H6     C  21           H6         C  21  -2.624  -6.988  10.374
  231   1H2*    C  21          1H2*        C  21  -4.440  -7.268   8.765
  232   2H2*    C  21          2H2*        C  21  -5.952  -6.468   8.558
  233   1H5*    T  22          1H5*        T  22  -8.955  -5.724   9.382
  234   2H5*    T  22          2H5*        T  22  -9.884  -5.495   7.896
  235    H4*    T  22           H4*        T  22  -8.944  -3.403   8.622
  236    H3*    T  22           H3*        T  22  -7.720  -4.491   5.942
  237   1H2*    T  22          1H2*        T  22  -6.200  -2.964   5.974
  238   2H2*    T  22          2H2*        T  22  -7.424  -1.634   6.497
  239    H1*    T  22           H1*        T  22  -7.163  -1.984   8.793
  240    H3     T  22           H3         T  22  -2.958  -0.336   9.070
  241   1H5M    T  22          1H5M        T  22  -1.497  -5.156   8.328
  242   2H5M    T  22          2H5M        T  22  -2.726  -5.446   7.199
  243   3H5M    T  22          3H5M        T  22  -1.549  -4.287   6.686
  244    H6     T  22           H6         T  22  -4.686  -4.698   7.737
  245   1H5*    T  23          1H5*        T  23  -9.422  -0.282   6.759
  246   2H5*    T  23          2H5*        T  23 -10.535   0.235   5.566
  247    H4*    T  23           H4*        T  23  -9.322   2.167   6.342
  248    H3*    T  23           H3*        T  23  -8.984   1.177   3.647
  249   1H2*    T  23          1H2*        T  23  -6.601   1.375   3.599
  250   2H2*    T  23          2H2*        T  23  -6.661   3.139   3.779
  251    H1*    T  23           H1*        T  23  -6.598   3.257   5.975
  252    H3     T  23           H3         T  23  -2.140   2.371   6.446
  253   1H5M    T  23          1H5M        T  23  -3.160  -1.600   3.972
  254   2H5M    T  23          2H5M        T  23  -2.858  -2.137   5.585
  255   3H5M    T  23          3H5M        T  23  -4.560  -2.119   4.934
  256    H6     T  23           H6         T  23  -5.873  -0.358   5.293
  257   1H5*    T  24          1H5*        T  24  -7.804   5.648   4.522
  258   2H5*    T  24          2H5*        T  24  -8.764   6.460   3.368
  259    H4*    T  24           H4*        T  24  -6.525   7.470   3.645
  260    H3*    T  24           H3*        T  24  -7.340   6.926   1.013
  261   1H2*    T  24          1H2*        T  24  -5.766   5.081   0.654
  262   2H2*    T  24          2H2*        T  24  -4.572   6.272   0.310
  263    H1*    T  24           H1*        T  24  -3.934   6.491   2.483
  264    H3     T  24           H3         T  24  -0.679   3.535   2.996
  265   1H5M    T  24          1H5M        T  24  -3.998   0.059   2.726
  266   2H5M    T  24          2H5M        T  24  -5.074   0.672   1.604
  267   3H5M    T  24          3H5M        T  24  -3.602   0.124   0.915
  268    H6     T  24           H6         T  24  -5.291   2.874   1.666
  269   1H5*    G  25          1H5*        G  25  -3.771   9.463   2.324
  270   2H5*    G  25          2H5*        G  25  -3.672  11.021   1.391
  271    H4*    G  25           H4*        G  25  -1.428  10.437   2.079
  272    H3*    G  25           H3*        G  25  -2.117  10.703  -0.685
  273    H1*    G  25           H1*        G  25   0.601   8.641   0.966
  274    H8     G  25           H8         G  25  -2.181   6.266  -0.353
  275    H1     G  25           H1         G  25   3.869   3.993  -0.384
  276   1H2     G  25          1H2         G  25   5.307   5.490   0.309
  277   2H2     G  25          2H2         G  25   4.773   7.126   0.661
  278   1H2*    G  25          1H2*        G  25  -1.380   8.645  -1.420
  279   2H2*    G  25          2H2*        G  25   0.236   9.433  -1.328
  280   1H5*    G  26          1H5*        G  26   2.374  10.773   0.604
  281   2H5*    G  26          2H5*        G  26   3.219  12.262   0.372
  282    H4*    G  26           H4*        G  26   4.857  10.779   0.098
  283    H3*    G  26           H3*        G  26   3.899  11.912  -2.366
  284    H1*    G  26           H1*        G  26   5.581   8.461  -1.632
  285    H8     G  26           H8         G  26   1.885   7.942  -2.344
  286    H1     G  26           H1         G  26   5.954   3.405  -4.478
  287   1H2     G  26          1H2         G  26   7.908   3.864  -4.223
  288   2H2     G  26          2H2         G  26   8.253   5.465  -3.335
  289    H3T    G  26           H3T        G  26   6.495  11.309  -1.252
  290   1H2*    G  26          1H2*        G  26   3.777   9.930  -3.603
  291   2H2*    G  26          2H2*        G  26   5.602   9.944  -3.503
  Start of MODEL   10
    1   1H5*    C   1          1H5*        C   1  12.024  -3.991  -4.373
    2   2H5*    C   1          2H5*        C   1  10.488  -4.284  -5.238
    3    H4*    C   1           H4*        C   1  11.603  -1.549  -4.656
    4    H3*    C   1           H3*        C   1   9.822  -3.150  -2.856
    5    H1*    C   1           H1*        C   1   9.787   0.182  -4.653
    6   1H4     C   1          1H4         C   1   3.734   1.500  -5.439
    7   2H4     C   1          2H4         C   1   3.261  -0.141  -5.919
    8    H5     C   1           H5         C   1   4.890  -2.062  -5.781
    9    H6     C   1           H6         C   1   7.252  -2.418  -5.271
   10    H5T    C   1           H5T        C   1  12.798  -2.821  -6.093
   11   1H2*    C   1          1H2*        C   1   8.261  -1.574  -2.760
   12   2H2*    C   1          2H2*        C   1   9.601  -0.263  -2.511
   13   1H5*    C   2          1H5*        C   2  11.400   0.753  -1.494
   14   2H5*    C   2          2H5*        C   2  12.445   0.398  -0.225
   15    H4*    C   2           H4*        C   2  11.510   2.626   0.140
   16    H3*    C   2           H3*        C   2  10.907   0.899   2.242
   17    H1*    C   2           H1*        C   2   8.630   3.297   0.815
   18   1H4     C   2          1H4         C   2   3.171   1.840  -1.695
   19   2H4     C   2          2H4         C   2   3.478   0.100  -1.963
   20    H5     C   2           H5         C   2   5.724  -0.706  -1.613
   21    H6     C   2           H6         C   2   8.001  -0.041  -0.590
   22   1H2*    C   2          1H2*        C   2   8.872   0.446   1.770
   23   2H2*    C   2          2H2*        C   2   8.399   1.951   2.632
   24   1H5*    A   3          1H5*        A   3   9.589   5.460   5.922
   25   2H5*    A   3          2H5*        A   3   8.268   4.516   5.087
   26    H4*    A   3           H4*        A   3   9.252   7.205   4.130
   27    H3*    A   3           H3*        A   3   7.747   6.820   6.526
   28    H1*    A   3           H1*        A   3   5.732   7.470   3.298
   29    H8     A   3           H8         A   3   7.010   3.855   3.103
   30   1H6     A   3          1H6         A   3   1.011   2.285   2.932
   31   2H6     A   3          2H6         A   3   2.650   1.531   3.041
   32    H2     A   3           H2         A   3   1.199   6.629   3.359
   33   1H2*    A   3          1H2*        A   3   6.012   5.501   5.445
   34   2H2*    A   3          2H2*        A   3   5.413   7.138   5.581
   35   1H5*    A   4          1H5*        A   4   4.337   9.823   5.254
   36   2H5*    A   4          2H5*        A   4   4.701  11.094   6.387
   37    H4*    A   4           H4*        A   4   2.358  10.488   6.773
   38    H3*    A   4           H3*        A   4   4.024   9.870   8.988
   39    H1*    A   4           H1*        A   4   1.083   8.013   7.860
   40    H8     A   4           H8         A   4   4.363   5.837   7.324
   41   1H6     A   4          1H6         A   4   0.010   1.446   5.920
   42   2H6     A   4          2H6         A   4   1.853   1.666   6.272
   43    H2     A   4           H2         A   4  -1.958   5.081   6.090
   44   1H2*    A   4          1H2*        A   4   3.978   7.723   8.590
   45   2H2*    A   4          2H2*        A   4   2.618   7.773   9.771
   46   1H5*    A   5          1H5*        A   5  -0.479   9.126   8.773
   47   2H5*    A   5          2H5*        A   5  -1.003  10.498   9.816
   48    H4*    A   5           H4*        A   5  -2.845   9.150   9.751
   49    H3*    A   5           H3*        A   5  -1.669   9.179  12.300
   50    H1*    A   5           H1*        A   5  -3.034   6.094  10.544
   51    H8     A   5           H8         A   5   0.837   5.816  10.923
   52   1H6     A   5          1H6         A   5  -0.310   0.024   8.651
   53   2H6     A   5          2H6         A   5   1.035   0.895   9.435
   54    H2     A   5           H2         A   5  -3.818   2.208   8.724
   55   1H2*    A   5          1H2*        A   5  -0.683   7.196  12.089
   56   2H2*    A   5          2H2*        A   5  -2.091   6.488  12.780
   57   1H5*    G   6          1H5*        G   6  -6.011   6.930  11.453
   58   2H5*    G   6          2H5*        G   6  -7.108   8.034  12.476
   59    H4*    G   6           H4*        G   6  -8.375   6.150  12.244
   60    H3*    G   6           H3*        G   6  -7.786   7.049  14.670
   61    H1*    G   6           H1*        G   6  -7.450   3.233  13.689
   62    H8     G   6           H8         G   6  -4.012   4.864  13.576
   63    H1     G   6           H1         G   6  -4.343  -1.404  12.333
   64   1H2     G   6          1H2         G   6  -6.498  -2.109  12.481
   65   2H2     G   6          2H2         G   6  -7.841  -1.066  12.792
   66   1H2*    G   6          1H2*        G   6  -6.065   5.433  15.141
   67   2H2*    G   6          2H2*        G   6  -7.496   4.353  15.633
   68   1H5*  B1P   7          1H5*      B1P   7 -10.211   3.408  17.201
   69   2H5*  B1P   7          2H5*      B1P   7  -9.510   3.279  15.619
   70    H4*  B1P   7           H4*      B1P   7 -12.327   2.312  15.789
   71    H1*  B1P   7           H1*      B1P   7 -11.671  -0.133  14.064
   72   HO1*  B1P   7          HO1*      B1P   7  -9.909   0.949  12.800
   73   1H2*  B1P   7          1H2*      B1P   7  -9.138   0.385  15.674
   74   2H2*  B1P   7          2H2*      B1P   7 -10.265  -1.066  15.867
   75    H3*  B1P   7           H3*      B1P   7 -10.526   0.884  17.600
   76   1H5*    A   8          1H5*        A   8 -11.933  -2.628  17.228
   77   2H5*    A   8          2H5*        A   8 -12.656  -3.261  18.732
   78    H4*    A   8           H4*        A   8 -10.648  -4.503  18.388
   79    H3*    A   8           H3*        A   8 -10.550  -2.780  20.749
   80    H1*    A   8           H1*        A   8  -8.102  -4.647  18.503
   81    H8     A   8           H8         A   8  -7.733  -0.703  18.463
   82   1H6     A   8          1H6         A   8  -1.645  -1.617  18.443
   83   2H6     A   8          2H6         A   8  -2.922  -0.489  18.338
   84    H2     A   8           H2         A   8  -3.526  -5.592  18.812
   85   1H2*    A   8          1H2*        A   8  -8.466  -2.460  20.435
   86   2H2*    A   8          2H2*        A   8  -8.162  -4.188  20.854
   87   1H5*    C   9          1H5*        C   9  -8.872  -6.656  20.947
   88   2H5*    C   9          2H5*        C   9  -9.501  -7.689  22.294
   89    H4*    C   9           H4*        C   9  -7.362  -8.344  21.836
   90    H3*    C   9           H3*        C   9  -8.142  -7.649  24.528
   91    H1*    C   9           H1*        C   9  -4.656  -7.033  22.833
   92   1H4     C   9          1H4         C   9  -2.122  -1.566  21.713
   93   2H4     C   9          2H4         C   9  -3.560  -0.562  21.727
   94    H5     C   9           H5         C   9  -5.774  -1.720  22.355
   95    H6     C   9           H6         C   9  -6.786  -3.900  22.864
   96   1H2*    C   9          1H2*        C   9  -6.681  -5.609  24.595
   97   2H2*    C   9          2H2*        C   9  -5.490  -6.829  24.970
   98   1H5*    C  10          1H5*        C  10  -3.862  -8.939  23.946
   99   2H5*    C  10          2H5*        C  10  -3.616 -10.548  24.722
  100    H4*    C  10           H4*        C  10  -1.708  -9.651  24.867
  101    H3*    C  10           H3*        C  10  -2.876  -9.512  27.392
  102    H1*    C  10           H1*        C  10  -0.079  -7.429  25.665
  103   1H4     C  10          1H4         C  10  -0.289  -1.048  25.333
  104   2H4     C  10          2H4         C  10  -2.044  -1.166  25.185
  105    H5     C  10           H5         C  10  -3.248  -2.981  26.052
  106    H6     C  10           H6         C  10  -3.397  -5.401  26.126
  107   1H2*    C  10          1H2*        C  10  -2.421  -7.155  27.607
  108   2H2*    C  10          2H2*        C  10  -0.934  -7.561  27.985
  109   1H5*    G  11          1H5*        G  11   1.587  -9.814  26.341
  110   2H5*    G  11          2H5*        G  11   2.101 -11.060  27.228
  111    H4*    G  11           H4*        G  11   4.055  -9.720  26.594
  112    H3*    G  11           H3*        G  11   3.611 -10.087  29.396
  113    H1*    G  11           H1*        G  11   4.843  -6.954  27.626
  114    H8     G  11           H8         G  11   1.142  -6.413  28.383
  115    H1     G  11           H1         G  11   4.355  -0.916  27.583
  116   1H2     G  11          1H2         G  11   6.491  -1.410  27.041
  117   2H2     G  11          2H2         G  11   6.981  -3.098  26.863
  118   1H2*    G  11          1H2*        G  11   2.745  -7.782  29.668
  119   2H2*    G  11          2H2*        G  11   4.587  -7.496  29.865
  120   1H5*    G  12          1H5*        G  12   7.882  -7.553  28.375
  121   2H5*    G  12          2H5*        G  12   9.030  -8.416  29.340
  122    H4*    G  12           H4*        G  12   9.422  -6.139  29.587
  123    H3*    G  12           H3*        G  12   8.393  -6.945  32.054
  124    H1*    G  12           H1*        G  12   8.434  -3.658  30.115
  125    H8     G  12           H8         G  12   5.239  -5.428  30.916
  126    H1     G  12           H1         G  12   4.883   1.157  31.099
  127   1H2     G  12          1H2         G  12   6.818   1.916  30.630
  128   2H2     G  12          2H2         G  12   8.255   1.092  30.208
  129   1H2*    G  12          1H2*        G  12   7.410  -5.101  32.570
  130   2H2*    G  12          2H2*        G  12   8.943  -4.205  32.260
  131   1H5*    G  13          1H5*        G  13  11.027  -3.659  31.600
  132   2H5*    G  13          2H5*        G  13  12.554  -3.971  32.361
  133    H4*    G  13           H4*        G  13  12.339  -1.637  32.719
  134    H3*    G  13           H3*        G  13  12.391  -3.327  34.992
  135    H1*    G  13           H1*        G  13  10.085  -0.352  34.432
  136    H8     G  13           H8         G  13   7.922  -3.558  34.388
  137    H1     G  13           H1         G  13   4.651   1.875  34.388
  138   1H2     G  13          1H2         G  13   6.310   3.697  34.268
  139   2H2     G  13          2H2         G  13   8.020   3.196  34.309
  140    H3T    G  13           H3T        G  13  13.225  -1.554  35.956
  141   1H2*    G  13          1H2*        G  13  10.182  -3.028  35.605
  142   2H2*    G  13          2H2*        G  13  10.637  -1.475  36.233
  143   1H5*    C  14          1H5*        C  14   1.007   8.978  37.878
  144   2H5*    C  14          2H5*        C  14   0.585  10.181  36.673
  145    H4*    C  14           H4*        C  14   2.912   9.567  36.230
  146    H3*    C  14           H3*        C  14   0.989   9.111  34.172
  147    H1*    C  14           H1*        C  14   4.121   6.953  35.356
  148   1H4     C  14          1H4         C  14   2.597   0.845  35.048
  149   2H4     C  14          2H4         C  14   1.019   1.312  35.519
  150    H5     C  14           H5         C  14   0.481   3.125  36.765
  151    H6     C  14           H6         C  14   0.937   5.559  36.592
  152    H5T    C  14           H5T        C  14  -0.809   8.022  37.218
  153   1H2*    C  14          1H2*        C  14   1.594   6.911  33.859
  154   2H2*    C  14          2H2*        C  14   3.149   7.369  33.341
  155   1H5*    C  15          1H5*        C  15   5.550   8.967  33.477
  156   2H5*    C  15          2H5*        C  15   5.992  10.302  32.342
  157    H4*    C  15           H4*        C  15   7.517   8.306  32.016
  158    H3*    C  15           H3*        C  15   6.135   9.277  29.712
  159    H1*    C  15           H1*        C  15   6.710   5.660  30.560
  160   1H4     C  15          1H4         C  15   2.460   1.298  31.629
  161   2H4     C  15          2H4         C  15   1.101   2.408  31.752
  162    H5     C  15           H5         C  15   1.363   4.889  31.274
  163    H6     C  15           H6         C  15   3.006   6.627  31.007
  164   1H2*    C  15          1H2*        C  15   4.718   7.767  29.542
  165   2H2*    C  15          2H2*        C  15   6.030   6.838  28.681
  166   1H5*    C  16          1H5*        C  16   9.151   5.580  29.146
  167   2H5*    C  16          2H5*        C  16  10.183   6.064  27.805
  168    H4*    C  16           H4*        C  16   9.920   3.835  27.633
  169    H3*    C  16           H3*        C  16   8.814   5.417  25.572
  170    H1*    C  16           H1*        C  16   7.861   1.884  26.559
  171   1H4     C  16          1H4         C  16   2.116   0.695  28.023
  172   2H4     C  16          2H4         C  16   1.519   2.340  28.121
  173    H5     C  16           H5         C  16   3.180   4.241  27.924
  174    H6     C  16           H6         C  16   5.524   4.603  27.438
  175   1H2*    C  16          1H2*        C  16   6.811   4.502  25.431
  176   2H2*    C  16          2H2*        C  16   7.593   3.342  24.495
  177   1H5*    G  17          1H5*        G  17  10.128   1.209  25.045
  178   2H5*    G  17          2H5*        G  17  11.198   1.129  23.608
  179    H4*    G  17           H4*        G  17   9.989  -0.956  24.113
  180    H3*    G  17           H3*        G  17   9.693   0.302  21.481
  181    H1*    G  17           H1*        G  17   7.245  -1.962  23.480
  182    H8     G  17           H8         G  17   6.029   1.727  23.384
  183    H1     G  17           H1         G  17   1.787  -2.837  24.807
  184   1H2     G  17          1H2         G  17   2.638  -4.679  24.869
  185   2H2     G  17          2H2         G  17   4.359  -4.926  24.462
  186   1H2*    G  17          1H2*        G  17   7.340   0.434  21.388
  187   2H2*    G  17          2H2*        G  17   7.387  -1.317  21.156
  188   1H5*    G  18          1H5*        G  18   8.286  -3.821  22.260
  189   2H5*    G  18          2H5*        G  18   9.414  -5.003  21.321
  190    H4*    G  18           H4*        G  18   7.400  -6.188  21.475
  191    H3*    G  18           H3*        G  18   7.395  -4.919  18.842
  192    H1*    G  18           H1*        G  18   4.578  -5.848  21.545
  193    H8     G  18           H8         G  18   4.989  -1.907  20.391
  194    H1     G  18           H1         G  18  -1.040  -4.020  21.625
  195   1H2     G  18          1H2         G  18  -0.926  -6.138  22.275
  196   2H2     G  18          2H2         G  18   0.596  -6.912  22.319
  197   1H2*    G  18          1H2*        G  18   4.996  -4.565  18.881
  198   2H2*    G  18          2H2*        G  18   4.938  -6.201  19.257
  199   1H5*    T  19          1H5*        T  19   4.850  -8.932  20.044
  200   2H5*    T  19          2H5*        T  19   5.094 -10.116  18.765
  201    H4*    T  19           H4*        T  19   2.767 -10.053  19.340
  202    H3*    T  19           H3*        T  19   3.771  -9.634  16.684
  203   1H2*    T  19          1H2*        T  19   2.513  -7.638  16.282
  204   2H2*    T  19          2H2*        T  19   1.126  -8.625  16.315
  205    H1*    T  19           H1*        T  19   0.682  -8.274  18.687
  206    H3     T  19           H3         T  19  -1.303  -4.217  18.712
  207   1H5M    T  19          1H5M        T  19   3.255  -2.273  17.878
  208   2H5M    T  19          2H5M        T  19   3.946  -3.588  17.063
  209   3H5M    T  19          3H5M        T  19   2.726  -2.720  16.214
  210    H6     T  19           H6         T  19   3.140  -5.653  17.530
  211   1H5*    A  20          1H5*        A  20  -0.884 -10.944  16.498
  212   2H5*    A  20          2H5*        A  20  -0.895 -11.965  14.961
  213    H4*    A  20           H4*        A  20  -2.720 -10.511  15.102
  214    H3*    A  20           H3*        A  20  -0.748 -10.138  12.949
  215    H1*    A  20           H1*        A  20  -3.366  -8.032  14.585
  216    H8     A  20           H8         A  20   0.314  -6.618  14.622
  217   1H6     A  20          1H6         A  20  -2.430  -1.335  16.016
  218   2H6     A  20          2H6         A  20  -0.973  -2.039  15.729
  219    H2     A  20           H2         A  20  -5.669  -4.264  15.145
  220   1H2*    A  20          1H2*        A  20  -1.223  -7.803  12.586
  221   2H2*    A  20          2H2*        A  20  -3.037  -8.329  12.482
  222   1H5*    C  21          1H5*        C  21  -5.299  -9.632  12.480
  223   2H5*    C  21          2H5*        C  21  -6.056 -10.509  10.982
  224    H4*    C  21           H4*        C  21  -7.183  -8.446  11.287
  225    H3*    C  21           H3*        C  21  -5.444  -8.713   8.938
  226    H1*    C  21           H1*        C  21  -6.346  -5.654  10.951
  227   1H4     C  21          1H4         C  21  -1.686  -1.663  11.743
  228   2H4     C  21          2H4         C  21  -0.407  -2.950  11.390
  229    H5     C  21           H5         C  21  -0.897  -5.208  11.249
  230    H6     C  21           H6         C  21  -2.843  -6.756  10.628
  231   1H2*    C  21          1H2*        C  21  -4.537  -6.526   8.824
  232   2H2*    C  21          2H2*        C  21  -6.164  -5.946   8.922
  233   1H5*    T  22          1H5*        T  22  -8.589  -6.081   8.964
  234   2H5*    T  22          2H5*        T  22  -9.648  -5.764   7.526
  235    H4*    T  22           H4*        T  22  -9.086  -3.580   8.751
  236    H3*    T  22           H3*        T  22  -8.172  -4.098   5.830
  237   1H2*    T  22          1H2*        T  22  -6.275  -2.723   6.037
  238   2H2*    T  22          2H2*        T  22  -7.466  -1.355   6.579
  239    H1*    T  22           H1*        T  22  -7.309  -1.728   8.807
  240    H3     T  22           H3         T  22  -2.919  -0.137   8.850
  241   1H5M    T  22          1H5M        T  22  -1.182  -4.116   7.695
  242   2H5M    T  22          2H5M        T  22  -2.432  -5.161   8.166
  243   3H5M    T  22          3H5M        T  22  -2.396  -4.631   6.409
  244    H6     T  22           H6         T  22  -4.786  -4.291   7.601
  245   1H5*    T  23          1H5*        T  23  -9.518   0.078   6.893
  246   2H5*    T  23          2H5*        T  23 -10.656   0.657   5.546
  247    H4*    T  23           H4*        T  23  -8.941   2.504   6.294
  248    H3*    T  23           H3*        T  23  -8.908   1.279   3.685
  249   1H2*    T  23          1H2*        T  23  -6.721   1.328   3.488
  250   2H2*    T  23          2H2*        T  23  -6.686   3.159   3.568
  251    H1*    T  23           H1*        T  23  -6.447   3.110   5.931
  252    H3     T  23           H3         T  23  -2.066   2.606   5.793
  253   1H5M    T  23          1H5M        T  23  -3.674  -1.704   3.588
  254   2H5M    T  23          2H5M        T  23  -2.353  -2.007   4.703
  255   3H5M    T  23          3H5M        T  23  -4.021  -2.438   5.163
  256    H6     T  23           H6         T  23  -5.557  -0.437   5.014
  257   1H5*    T  24          1H5*        T  24  -7.842   5.583   4.520
  258   2H5*    T  24          2H5*        T  24  -8.647   6.734   3.426
  259    H4*    T  24           H4*        T  24  -6.596   7.557   3.806
  260    H3*    T  24           H3*        T  24  -7.103   7.015   1.104
  261   1H2*    T  24          1H2*        T  24  -5.234   5.371   0.761
  262   2H2*    T  24          2H2*        T  24  -4.368   6.939   0.582
  263    H1*    T  24           H1*        T  24  -3.796   6.826   2.853
  264    H3     T  24           H3         T  24  -0.286   4.091   3.171
  265   1H5M    T  24          1H5M        T  24  -4.598   1.119   2.189
  266   2H5M    T  24          2H5M        T  24  -3.745   1.160   0.633
  267   3H5M    T  24          3H5M        T  24  -3.132   0.367   2.074
  268    H6     T  24           H6         T  24  -4.871   3.331   1.941
  269   1H5*    G  25          1H5*        G  25  -3.366   9.592   2.208
  270   2H5*    G  25          2H5*        G  25  -3.531  11.040   1.349
  271    H4*    G  25           H4*        G  25  -1.415  10.725   1.902
  272    H3*    G  25           H3*        G  25  -1.741  11.020  -0.901
  273    H1*    G  25           H1*        G  25   0.914   8.860   0.954
  274    H8     G  25           H8         G  25  -1.919   6.509  -0.378
  275    H1     G  25           H1         G  25   3.905   4.024  -0.705
  276   1H2     G  25          1H2         G  25   5.435   5.435   0.011
  277   2H2     G  25          2H2         G  25   4.853   7.093   0.280
  278   1H2*    G  25          1H2*        G  25  -1.090   8.732  -1.376
  279   2H2*    G  25          2H2*        G  25   0.454   9.634  -1.456
  280   1H5*    G  26          1H5*        G  26   2.869  10.825   0.145
  281   2H5*    G  26          2H5*        G  26   3.564  12.412  -0.217
  282    H4*    G  26           H4*        G  26   5.319  10.725  -0.740
  283    H3*    G  26           H3*        G  26   4.076  11.786  -3.304
  284    H1*    G  26           H1*        G  26   5.689   8.366  -2.490
  285    H8     G  26           H8         G  26   1.848   8.249  -3.138
  286    H1     G  26           H1         G  26   5.536   3.079  -4.689
  287   1H2     G  26          1H2         G  26   7.616   3.507  -3.752
  288   2H2     G  26          2H2         G  26   7.815   5.061  -3.040
  289    H3T    G  26           H3T        G  26   6.726  10.982  -2.410
  290   1H2*    G  26          1H2*        G  26   3.592   9.798  -4.200
  291   2H2*    G  26          2H2*        G  26   5.284   9.599  -4.437