*HEADER   RIBONUCLEIC ACID                        12-AUG-97   1UUU    
*TITLE    STRUCTURE OF AN RNA HAIRPIN LOOP WITH A 5'-CGUUUCG-3' LOOP  
*TITLE   2 MOTIF BY HETERONUCLEAR NMR SPECTROSCOPY AND DISTANCE       
*TITLE   3 GEOMETRY, 15 STRUCTURES                                    
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: RNA (5'-R(CP*GP*UP*UP*UP*CP*G)-3' PENTALOOP;     
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: UUU19MER;                                         
*COMPND  5 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: OLIGONUCLEOTIDE MADE BY IN VITRO TRANSCRIPTION  
*KEYWDS   RIBONUCLEIC ACID, RNA, PENTALOOP, HAIRPIN, NMR,             
*KEYWDS  2 18S RIBOSOMAL RNA                                          
*EXPDTA   NMR, 15 STRUCTURES                                          
*AUTHOR   C.SICH,O.OHLENSCHLAGER,R.RAMACHANDRAN,M.GORLACH,L.R.BROWN   
*REVDAT  1   25-FEB-98 1UUU    0                                      
 
#Constraints for RNA (5'-R(CP*GP*UP*UP*UP*CP*G)-3' PENTALOOP
#(in DIANA format)
#Upper limits before pseudoatom correction:
  1 RGUA 
         H5'     1 RGUA H5"     2.40
         H5'     1 RGUA H4'     2.70
         H5'     1 RGUA H3'     4.30
         H5"     1 RGUA H4'     2.70
         H5"     1 RGUA H3'     3.40
         H4'     1 RGUA H3'     2.90
         H4'     1 RGUA H2'     3.90
         H4'     1 RGUA H1'     3.60
         H3'     1 RGUA H2'     2.90
         H3'     2 RGUA H8      4.50
         H2'     1 RGUA H1'     3.10
         H2'     1 RGUA H8      3.60
         H2'     2 RGUA H5'     4.10
         H2'     2 RGUA H8      3.00
         H1'     2 RGUA H8      3.60
  2 RGUA 			    
         H5'     2 RGUA H5"     2.40
         H5"     2 RGUA H4'     2.70
         H5"     2 RGUA H3'     3.20
         H5"     2 RGUA H8      3.90
         H4'     2 RGUA H1'     3.70
         H4'     2 RGUA H8      4.40
         H3'     2 RGUA H1'     4.70
         H3'     2 RGUA H8      3.10
         H3'     3 RCYT H5      3.70
         H3'     3 RCYT H6      3.60
         H2'     2 RGUA H1'     3.00
         H2'     3 RCYT H5      4.50
         H2'     3 RCYT H6      2.70
         H1'     2 RGUA H8      4.30
         H1'     3 RCYT H6      5.00
  3 RCYT 			    
         H5'     3 RCYT H5"     2.40
         H5'     3 RCYT H4'     2.60
         H5'     3 RCYT H6      5.00
         H5"     3 RCYT H4'     2.60
         H5"     3 RCYT H6      3.80
         H4'     3 RCYT H1'     3.90
         H4'     3 RCYT H6      4.00
         H3'     3 RCYT H2'     2.60
         H3'     3 RCYT H1'     5.00
         H3'     3 RCYT H6      3.00
         H2'     3 RCYT H1'     2.90
         H2'     4 RGUA H5'     3.40
         H2'     4 RGUA H5"     4.30
         H2'     4 RGUA H1'     5.00
         H2'     4 RGUA H8      2.70
         H1'     3 RCYT H6      3.80
         H1'     4 RGUA H8      5.30
         H5      3 RCYT H6      2.60
  4 RGUA 			    
         H5'     4 RGUA H5"     2.40
         H5'     4 RGUA H8      4.50
         H5"     4 RGUA H4'     2.70
         H5"     4 RGUA H8      3.50
         H4'     4 RGUA H1'     3.90
         H4'     4 RGUA H8      4.40
         H4'     5 URA  H6      5.00
         H3'     4 RGUA H1'     4.10
         H3'     4 RGUA H8      3.70
         H3'     5 URA  H5      3.20
         H3'     5 URA  H6      4.10
         H2'     4 RGUA H1'     2.70
         H2'     4 RGUA H8      4.90
         H2'     5 URA  H5      3.50
         H2'     5 URA  H6      2.40
         H1'     4 RGUA H8      4.50
         H1'     5 URA  H6      4.40
  5 URA  			    
         H5'     5 URA  H6      4.90
         H5"     5 URA  H3'     4.10
         H5"     5 URA  H6      3.80
         H4'     5 URA  H3'     2.90
         H4'     5 URA  H1'     3.60
         H4'     5 URA  H6      4.20
         H3'     5 URA  H1'     3.80
         H3'     5 URA  H6      2.70
         H2'     5 URA  H1'     2.90
         H2'     6 RADE H5"     3.50
         H2'     6 RADE H8      2.40
         H1'     5 URA  H5      5.40
         H1'     5 URA  H6      4.00
         H1'     6 RADE H8      5.10
         H5      5 URA  H6      2.60
  6 RADE 			    
         H5'     6 RADE H8      4.80
         H5"     6 RADE H3'     3.70
         H5"     6 RADE H8      3.70
         H4'     6 RADE H3'     3.00
         H4'     6 RADE H1'     3.90
         H3'     6 RADE H2'     2.70
         H3'     6 RADE H1'     4.20
         H3'     6 RADE H8      3.20
         H3'     7 RCYT H5      3.80
         H3'     7 RCYT H6      3.50
         H2'     6 RADE H1'     2.70
         H2'     7 RCYT H1'     3.70
         H2'     7 RCYT H5      3.90
         H2'     7 RCYT H6      2.60
         H1'     6 RADE H8      4.00
         H1'     7 RCYT H6      5.30
         H1'    15 RADE H2      3.90
         H2      7 RCYT H1'     3.70
         H2     15 RADE H1'     3.70
         H8      7 RCYT H5      4.30
  7 RCYT 			    
         H5'     7 RCYT H4'     2.60
         H5'     7 RCYT H6      4.30
         H5"     7 RCYT H4'     2.60
         H5"     7 RCYT H3'     3.30
         H5"     7 RCYT H6      3.60
         H4'     7 RCYT H1'     3.40
         H4'     7 RCYT H6      4.20
         H3'     7 RCYT H2'     2.80
         H3'     7 RCYT H6      2.70
         H3'     8 RGUA H8      3.90
         H2'     7 RCYT H1'     2.90
         H2'     7 RCYT H6      3.90
         H2'     8 RGUA H1'     4.30
         H2'     8 RGUA H8      3.00
         H1'     7 RCYT H6      3.90
         H5      7 RCYT H6      2.50
  8 RGUA 			    
         H5'     8 RGUA H5"     2.40
         H5'     8 RGUA H4'     2.50
         H5"     8 RGUA H4'     2.90
         H5"     8 RGUA H3'     3.60
         H4'     8 RGUA H1'     3.30
         H4'     8 RGUA H8      5.10
         H3'     8 RGUA H2'     2.70
         H3'     8 RGUA H1'     4.40
         H3'     8 RGUA H8      3.50
         H2'     8 RGUA H1'     3.00
         H2'     8 RGUA H8      3.70
         H2'     9 URA  H6      3.70
         H1'     8 RGUA H8      3.50
  9 URA  			    
         H5'     9 URA  H5"     2.40
         H5'     9 URA  H4'     2.70
         H5'     9 URA  H3'     3.50
         H5'     9 URA  H6      4.70
         H5"     9 URA  H4'     2.70
         H5"     9 URA  H3'     3.20
         H5"     9 URA  H6      4.00
         H4'     9 URA  H2'     4.20
         H4'     9 URA  H1'     3.60
         H4'    10 URA  H5'     4.00
         H3'     9 URA  H2'     2.70
         H3'     9 URA  H1'     4.30
         H3'     9 URA  H6      3.20
         H3'    10 URA  H5'     4.30
         H3'    10 URA  H5      4.30
         H3'    10 URA  H6      4.30
         H2'     9 URA  H1'     3.10
         H2'     9 URA  H5      5.20
         H2'     9 URA  H6      2.70
         H1'     9 URA  H6      3.90
         H5      9 URA  H6      2.60
 10 URA  			    
         H5'    10 URA  H4'     2.40
         H5'    10 URA  H3'     3.10
         H5'    10 URA  H2'     3.50
         H5'    10 URA  H1'     5.50
         H5'    10 URA  H6      4.20
         H5'    11 URA  H2'     3.90
         H4'    10 URA  H3'     3.00
         H4'    10 URA  H1'     3.80
         H4'    11 URA  H3'     4.40
         H4'    12 RCYT H3'     4.10
         H3'    10 URA  H2'     2.70
         H3'    10 URA  H1'     4.80
         H3'    10 URA  H6      3.90
         H2'    10 URA  H1'     3.30
         H2'    10 URA  H5      4.40
         H2'    10 URA  H6      2.60
         H1'    10 URA  H6      3.60
         H5     10 URA  H6      2.70
 11 URA  			    
         H5'    11 URA  H4'     2.80
         H5'    11 URA  H3'     3.70
         H5'    11 URA  H6      4.30
         H5"    11 URA  H4'     2.90
         H5"    11 URA  H3'     3.40
         H5"    11 URA  H6      4.20
         H4'    11 URA  H3'     3.10
         H4'    11 URA  H1'     3.70
         H4'    12 RCYT H5'     4.80
         H4'    12 RCYT H5"     4.20
         H4'    12 RCYT H6      3.80
         H3'    11 URA  H2'     2.60
         H3'    11 URA  H1'     4.70
         H3'    11 URA  H6      4.00
         H3'    12 RCYT H5"     5.00
         H3'    12 RCYT H6      3.90
         H2'    11 URA  H1'     3.50
         H2'    11 URA  H5      4.30
         H2'    11 URA  H6      2.50
         H1'    11 URA  H6      3.50
         H1'    12 RCYT H5      4.10
         H1'    12 RCYT H6      5.00
         H5     11 URA  H6      2.60
 12 RCYT 			    
         H5'    12 RCYT H5"     2.40
         H5'    12 RCYT H4'     2.70
         H5'    12 RCYT H3'     3.60
         H5'    12 RCYT H6      4.20
         H5'    13 RGUA H4'     4.50
         H5"    12 RCYT H4'     3.00
         H5"    12 RCYT H3'     3.30
         H5"    12 RCYT H2'     4.30
         H5"    12 RCYT H6      3.60
         H4'    12 RCYT H3'     3.10
         H4'    12 RCYT H1'     3.90
         H4'    12 RCYT H6      4.90
         H3'    12 RCYT H6      4.30
         H2'    12 RCYT H6      2.90
         H2'    13 RGUA H8      4.50
         H1'    12 RCYT H6      4.50
         H1'    13 RGUA H8      4.10
         H5     12 RCYT H6      2.60
 13 RGUA 			    
         H5'    13 RGUA H4'     2.60
         H5'    13 RGUA H8      3.90
         H4'    13 RGUA H1'     3.80
         H2'    13 RGUA H1'     3.30
         H2'    13 RGUA H8      3.70
         H2'    14 URA  H5      3.80
         H2'    14 URA  H6      2.80
         H1'    13 RGUA H8      3.90
         H1'    14 URA  H6      4.20
 14 URA  			    
         H5"    14 URA  H4'     3.00
         H5"    14 URA  H3'     4.60
         H5"    14 URA  H6      3.80
         H4'    14 URA  H1'     3.60
         H4'    14 URA  H6      4.20
         H3'    14 URA  H6      2.90
         H3'    15 RADE H8      3.80
         H2'    14 URA  H1'     2.90
         H2'    14 URA  H6      4.10
         H2'    15 RADE H1'     3.80
         H2'    15 RADE H8      2.40
         H1'    14 URA  H6      4.20
         H1'    15 RADE H8      5.00
         H5     14 URA  H6      2.70
 15 RADE 			    
         H5"    15 RADE H4'     2.70
         H5"    15 RADE H3'     3.50
         H5"    15 RADE H8      3.70
         H4'    15 RADE H3'     3.30
         H4'    15 RADE H1'     3.80
         H3'    15 RADE H2'     2.70
         H3'    15 RADE H1'     4.10
         H3'    15 RADE H8      3.20
         H3'    16 RCYT H5      3.70
         H3'    16 RCYT H6      3.50
         H2'    15 RADE H1'     2.70
         H2'    16 RCYT H1'     4.00
         H2'    16 RCYT H5      4.20
         H2'    16 RCYT H6      2.50
         H1'    15 RADE H8      4.10
         H1'    16 RCYT H6      5.10
         H2     16 RCYT H1'     3.70
 16 RCYT 			    
         H5'    16 RCYT H4'     2.70
         H5'    16 RCYT H6      4.70
         H5"    16 RCYT H4'     2.50
         H5"    16 RCYT H1'     5.20
         H5"    16 RCYT H6      3.80
         H4'    16 RCYT H1'     3.70
         H4'    16 RCYT H6      4.00
         H3'    16 RCYT H1'     4.10
         H3'    16 RCYT H6      2.60
         H3'    17 RGUA H8      3.80
         H2'    16 RCYT H1'     2.80
         H2'    16 RCYT H6      3.60
         H2'    17 RGUA H1'     4.10
         H2'    17 RGUA H8      2.40
         H1'    16 RCYT H6      3.90
         H1'    17 RGUA H8      4.60
         H5     16 RCYT H6      2.50
 17 RGUA 			    
         H5'    17 RGUA H8      4.30
         H5"    17 RGUA H4'     2.90
         H5"    17 RGUA H3'     3.30
         H5"    17 RGUA H8      3.80
         H4'    17 RGUA H1'     3.50
         H3'    17 RGUA H1'     4.00
         H3'    17 RGUA H8      3.40
         H3'    18 RCYT H6      3.40
         H2'    17 RGUA H1'     2.70
         H2'    18 RCYT H6      2.40
         H1'    17 RGUA H8      4.20
         H1'    18 RCYT H6      4.90
 18 RCYT 			    
         H5'    18 RCYT H5"     2.40
         H5'    18 RCYT H4'     2.70
         H5'    18 RCYT H6      4.50
         H5"    18 RCYT H4'     2.70
         H5"    18 RCYT H3'     3.40
         H5"    18 RCYT H6      4.30
         H4'    18 RCYT H1'     3.70
         H4'    18 RCYT H6      4.00
         H3'    18 RCYT H2'     2.50
         H3'    18 RCYT H1'     3.70
         H3'    18 RCYT H5      4.20
         H3'    18 RCYT H6      2.60
         H2'    18 RCYT H1'     2.70
         H2'    19 RCYT H5'     3.30
         H2'    19 RCYT H5"     3.90
         H2'    19 RCYT H6      2.50
         H1'    18 RCYT H6      3.60
         H5     18 RCYT H6      2.50
         H5     19 RCYT H5      3.40
 19 RCYT 			    
         H5'    19 RCYT H4'     2.60
         H5'    19 RCYT H3'     3.50
         H5"    19 RCYT H4'     2.50
         H4'    19 RCYT H1'     3.70
         H4'    19 RCYT H6      3.90
         H3'    19 RCYT H2'     2.50
         H3'    19 RCYT H1'     4.20
         H3'    19 RCYT H5      4.70
         H3'    19 RCYT H6      2.70
         H2'    19 RCYT H1'     2.90
         H2'    19 RCYT H6      3.50
         H1'    19 RCYT H6      4.00
         H5     19 RCYT H6      2.40
  2 RGUA 
         H1      3 RCYT H1'     7.00 
         H1     18 RCYT H41     5.00 
         H1     18 RCYT H42     5.00 
         H1     19 RCYT H1'     7.00 
  3 RCYT 			     
         H41    17 RGUA H1      5.00 
         H42    17 RGUA H1      5.00 
  4 RGUA 			     
         H1'    17 RGUA H1      7.00 
         H1      5 URA  H1'     7.00 
         H1      5 URA  H3      5.00 
         H1     16 RCYT H41     5.00 
         H1     16 RCYT H42     5.00 
         H1     17 RGUA H1'     7.00 
  5 URA  			     
         H3     15 RADE H2      5.00 
  6 RADE 			     
         H2     14 URA  H3      5.00 
  7 RCYT 			     
         H41    13 RGUA H1      5.00 
         H42    13 RGUA H1      5.00 
 17 RGUA 			     
         H1     18 RCYT H1'     7.00 
         H1     18 RCYT H41     5.00 
 18 RCYT 			     
         H41    19 RCYT H42     5.00 
# H-bonding constraints
  2 RGUA 
         N2     18 RCYT O2      3.00  1.00E+01
         N1     18 RCYT N3      3.00  1.00E+01
         O6     18 RCYT N4      3.00  1.00E+01
  3 RCYT 
         O2     17 RGUA N2      3.00  1.00E+01
         N3     17 RGUA N1      3.00  1.00E+01
         N4     17 RGUA O6      3.00  1.00E+01
  4 RGUA 
         N2     16 RCYT O2      3.00  1.00E+01
         N1     16 RCYT N3      3.00  1.00E+01
         O6     16 RCYT N4      3.00  1.00E+01
  5 URA  
         N3     15 RADE N1      3.00  1.00E+01
         O4     15 RADE N6      3.00  1.00E+01
  6 RADE 
         N1     14 URA  N3      3.00  1.00E+01
         N6     14 URA  O4      3.00  1.00E+01
  7 RCYT 
         O2     13 RGUA N2      3.00  1.00E+01
         N3     13 RGUA N1      3.00  1.00E+01
         N4     13 RGUA O6      3.00  1.00E+01

#Lower Limits:
  7 RCYT 
         H2'     8 RGUA H3'     3.00 
         H2'    11 URA  H5      3.00 
  8 RGUA 			     
         H8      9 URA  H1'     3.00 
         H8      9 URA  H5      3.00 
         H8     11 URA  H5      3.00 
  9 URA  			     
         H3'    10 URA  H3'     3.00 
         H2'    13 RGUA H1'     3.00 
 10 URA  			     
         H5'    12 RCYT H5'     3.00 
         H5'    12 RCYT H5"     3.00 
         H5'    12 RCYT H4'     3.00 
         H5'    12 RCYT H3'     3.00 
         H5'    12 RCYT H6      3.00 
         H5"    12 RCYT H5'     3.00 
         H5"    12 RCYT H5"     3.00 
         H5"    12 RCYT H4'     3.00 
         H5"    12 RCYT H3'     3.00 
         H5"    12 RCYT H6      3.00 
         H3'    11 URA  H2'     3.00 
         H1'    13 RGUA H4'     3.00 
 11 URA  			     
         H5'    12 RCYT H5'     3.00 
         H5'    12 RCYT H5      3.00 
         H5'    12 RCYT H6      3.00 
         H5"    12 RCYT H5'     3.00 
         H5"    12 RCYT H5"     3.00 
         H5"    12 RCYT H3'     3.00 
         H5"    12 RCYT H6      3.00 
         H5"    13 RGUA H1'     3.00 
         H4'    12 RCYT H5      3.00 
         H3'    12 RCYT H2'     3.00 
         H3'    12 RCYT H5      3.00 
         H2'    12 RCYT H5      3.00 
         H1'    12 RCYT H2'     3.00 
         H6     12 RCYT H5      3.00 
 12 RCYT 			     
         H5'    13 RGUA H8      3.00 
         H5"    13 RGUA H8      3.00 
         H4'    13 RGUA H1'     3.00 
         H3'    13 RGUA H5'     3.00 
         H1'    13 RGUA H5"     3.00 
#Lower limits for H-bonded base-pairs
  2 RGUA
         N9     18 RCYT N1      9.10  1.00E+01
  3 RCYT
         N1     17 RGUA N9      9.10  1.00E+01
  4 RGUA
         N9     16 RCYT N1      9.10  1.00E+01
  5 URA 
         N1     15 RADE N9      9.10  1.00E+01
  6 RADE
         N9     14 URA  N1      9.10  1.00E+01
  7 RCYT
         N1     13 RGUA N9      9.10  1.00E+01

#Dihedral angle constraints:
   6 RADE  BETA    165.0   195.0
   6 RADE  GAMMA  -195.0   125.0
   6 RADE  GAMMA    -5.0   315.0
   6 RADE  DELTA    75.0    95.0
   6 RADE  NU2      35.0    45.0
   6 RADE  NU1     -45.0   -25.0
   6 RADE  CHI     -85.0   235.0
   6 RADE  CHI    -175.0   -75.0
   6 RADE  EPSI   -165.0  -125.0
  15 RADE  BETA    165.0   195.0
  15 RADE  GAMMA  -195.0   115.0
  15 RADE  GAMMA    15.0   285.0
  15 RADE  DELTA    75.0   105.0
  15 RADE  NU2      25.0    45.0
  15 RADE  NU1     -45.0   -25.0
  15 RADE  CHI     -75.0   235.0
  15 RADE  CHI    -175.0   -65.0
  15 RADE  EPSI   -165.0  -125.0
   3 RCYT  BETA    125.0   235.0
   3 RCYT  GAMMA    45.0    75.0
   3 RCYT  DELTA    75.0    85.0
   3 RCYT  NU2      35.0    45.0
   3 RCYT  NU1     -35.0   -15.0
   3 RCYT  CHI    -175.0  -135.0
   3 RCYT  EPSI   -165.0  -115.0
   7 RCYT  BETA    155.0   195.0
   7 RCYT  GAMMA    65.0   105.0
   7 RCYT  DELTA    75.0    85.0
   7 RCYT  NU2      35.0    45.0
   7 RCYT  NU1     -35.0   -15.0
   7 RCYT  CHI    -165.0  -125.0
   7 RCYT  EPSI   -165.0  -135.0
  12 RCYT  BETA    155.0   205.0
  12 RCYT  GAMMA    25.0    45.0
  12 RCYT  DELTA   115.0   165.0
  12 RCYT  NU2     -45.0    25.0
  12 RCYT  NU1     -45.0    45.0
  12 RCYT  CHI    -155.0   -75.0
  12 RCYT  EPSI   -185.0    65.0
  12 RCYT  EPSI     35.0   305.0
  16 RCYT  BETA    165.0   195.0
  16 RCYT  GAMMA     5.0   115.0
  16 RCYT  DELTA    75.0    95.0
  16 RCYT  NU2      35.0    45.0
  16 RCYT  NU1     -35.0   -15.0
  16 RCYT  CHI    -155.0  -135.0
  16 RCYT  EPSI   -195.0  -135.0
  18 RCYT  BETA    165.0   195.0
  18 RCYT  GAMMA    -5.0   125.0
  18 RCYT  DELTA    75.0    95.0
  18 RCYT  NU2      35.0    45.0
  18 RCYT  NU1     -45.0   -25.0
  18 RCYT  CHI    -155.0  -135.0
  18 RCYT  EPSI   -165.0  -135.0
  19 RCYT  BETA    155.0   205.0
  19 RCYT  GAMMA    35.0    85.0
  19 RCYT  DELTA    75.0    85.0
  19 RCYT  NU2      25.0    45.0
  19 RCYT  NU1     -35.0   -15.0
  19 RCYT  CHI    -165.0  -125.0
   1 RGUA  BETA     55.0   305.0
   1 RGUA  GAMMA     5.0   115.0
   1 RGUA  DELTA    75.0    95.0
   1 RGUA  NU2       5.0    45.0
   1 RGUA  NU1     -35.0    15.0
   1 RGUA  CHI    -165.0    35.0
   1 RGUA  EPSI   -205.0  -125.0
   2 RGUA  BETA   -195.0  -135.0
   2 RGUA  GAMMA    35.0    75.0
   2 RGUA  DELTA    75.0    95.0
   2 RGUA  NU2      35.0    45.0
   2 RGUA  NU1     -35.0   -25.0
   2 RGUA  CHI    -165.0  -125.0
   2 RGUA  EPSI   -205.0  -135.0
   4 RGUA  BETA    165.0   195.0
   4 RGUA  GAMMA  -175.0   115.0
   4 RGUA  GAMMA    15.0   315.0
   4 RGUA  DELTA    75.0   125.0
   4 RGUA  NU2      15.0    45.0
   4 RGUA  NU1     -45.0   -25.0
   4 RGUA  CHI     -85.0   235.0
   4 RGUA  CHI    -195.0   -75.0
   4 RGUA  EPSI   -185.0   -55.0
   8 RGUA  BETA    115.0   245.0
   8 RGUA  GAMMA  -195.0    85.0
   8 RGUA  GAMMA   -85.0   205.0
   8 RGUA  GAMMA    25.0   315.0
   8 RGUA  DELTA    75.0    85.0
   8 RGUA  NU2      25.0    45.0
   8 RGUA  NU1     -35.0     5.0
   8 RGUA  CHI     -85.0   205.0
   8 RGUA  CHI    -175.0   -35.0
   8 RGUA  EPSI   -165.0  -115.0
  13 RGUA  BETA     45.0   315.0
  13 RGUA  DELTA    75.0   165.0
  13 RGUA  NU2     -45.0    45.0
  13 RGUA  NU1     -45.0    45.0
  13 RGUA  CHI    -185.0    -5.0
  13 RGUA  EPSI   -205.0   -45.0
  17 RGUA  BETA    165.0   195.0
  17 RGUA  GAMMA    65.0    75.0
  17 RGUA  DELTA    75.0    95.0
  17 RGUA  NU2      35.0    45.0
  17 RGUA  NU1     -35.0   -15.0
  17 RGUA  CHI    -185.0   -85.0
  17 RGUA  EPSI   -165.0   -75.0
   5 URA   BETA    165.0   195.0
   5 URA   GAMMA  -195.0   125.0
   5 URA   GAMMA    -5.0   315.0
   5 URA   DELTA    75.0    95.0
   5 URA   NU2      25.0    45.0
   5 URA   NU1     -35.0   -15.0
   5 URA   CHI    -165.0  -125.0
   5 URA   EPSI   -175.0   -65.0
   9 URA   BETA    155.0   205.0
   9 URA   GAMMA    55.0    95.0
   9 URA   DELTA    75.0    95.0
   9 URA   NU2       5.0    45.0
   9 URA   NU1     -45.0    25.0
   9 URA   CHI    -145.0   -65.0
   9 URA   EPSI   -215.0   -25.0
  10 URA   BETA   -245.0    45.0
  10 URA   BETA    -45.0   245.0
  10 URA   BETA     15.0   335.0
  10 URA   DELTA   115.0   165.0
  10 URA   NU2     -45.0   -15.0
  10 URA   NU1       5.0    45.0
  10 URA   CHI    -135.0   -95.0
  10 URA   EPSI   -145.0   -95.0
  11 URA   BETA    145.0   215.0
  11 URA   GAMMA    45.0    75.0
  11 URA   DELTA   145.0   165.0
  11 URA   NU2     -45.0   -25.0
  11 URA   NU1       5.0    35.0
  11 URA   CHI     -55.0   265.0
  11 URA   CHI    -125.0   -45.0
  11 URA   EPSI   -145.0   -95.0
  14 URA   BETA     55.0   305.0
  14 URA   GAMMA    45.0    75.0
  14 URA   DELTA    75.0    95.0
  14 URA   NU2      35.0    45.0
  14 URA   NU1     -35.0   -15.0
  14 URA   CHI    -175.0  -125.0
  14 URA   EPSI   -175.0   -75.0
   2 RGUA  ALPHA  -120.0   120.0 
   2 RGUA  ZETA   -120.0   120.0 
   3 RCYT  ALPHA  -120.0   120.0 
   3 RCYT  ZETA   -120.0   120.0 
   4 RGUA  ALPHA  -120.0   120.0 
   4 RGUA  ZETA   -120.0   120.0 
   5 URA   ALPHA  -120.0   120.0 
   5 URA   ZETA   -120.0   120.0 
   6 RADE  ALPHA  -120.0   120.0 
   6 RADE  ZETA   -120.0   120.0 
   7 RCYT  ALPHA  -120.0   120.0 
   7 RCYT  ZETA   -120.0   120.0 
   8 RGUA  ALPHA  -120.0   120.0 
   8 RGUA  ZETA   -120.0   120.0 
   9 URA   ALPHA  -120.0   120.0 
   9 URA   ZETA   -120.0   120.0 
  10 URA   ALPHA  -120.0   120.0 
  10 URA   ZETA   -120.0   120.0 
  12 RCYT  ALPHA  -120.0   120.0 
  12 RCYT  ZETA   -120.0   120.0 
  15 RADE  ALPHA  -120.0   120.0 
  15 RADE  ZETA   -120.0   120.0 
  16 RCYT  ALPHA  -120.0   120.0 
  16 RCYT  ZETA   -120.0   120.0 
  17 RGUA  ALPHA  -120.0   120.0 
  17 RGUA  ZETA   -120.0   120.0 
  18 RCYT  ALPHA  -120.0   120.0 
  18 RCYT  ZETA   -120.0   120.0 
  19 RCYT  ALPHA  -120.0   120.0 
  19 RCYT  ZETA   -120.0   120.0 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1  10.642  -4.221   0.549
    2   2H5*    G   1          2H5*        G   1  10.531  -3.654  -1.128
    3    H4*    G   1           H4*        G   1   9.867  -5.983  -1.051
    4    H3*    G   1           H3*        G   1   7.541  -4.139  -1.405
    5   1H2*    G   1          1H2*        G   1   6.203  -6.081  -1.763
    6   2HO*    G   1          2HO*        G   1   7.262  -8.213  -1.732
    7    H1*    G   1           H1*        G   1   7.239  -7.447   0.328
    8    H8     G   1           H8         G   1   6.508  -3.593   0.490
    9    H1     G   1           H1         G   1   1.998  -7.524   2.841
   10   1H2     G   1          1H2         G   1   2.840  -9.756   2.681
   11   2H2     G   1          2H2         G   1   4.458  -9.905   1.997
   12    H5T    G   1           H5T        G   1   9.617  -2.167   0.365
   13   1H5*    G   2          1H5*        G   2   8.007  -7.530  -4.797
   14   2H5*    G   2          2H5*        G   2   7.832  -6.472  -6.197
   15    H4*    G   2           H4*        G   2   6.626  -8.276  -6.912
   16    H3*    G   2           H3*        G   2   4.689  -6.384  -5.570
   17   1H2*    G   2          1H2*        G   2   2.917  -7.826  -6.103
   18   2HO*    G   2          2HO*        G   2   3.080  -9.523  -7.525
   19    H1*    G   2           H1*        G   2   4.164 -10.108  -5.296
   20    H8     G   2           H8         G   2   5.625  -7.562  -3.047
   21    H1     G   2           H1         G   2  -0.239  -9.480  -1.227
   22   1H2     G   2          1H2         G   2  -1.262 -10.477  -2.990
   23   2H2     G   2          2H2         G   2  -0.359 -10.659  -4.512
   24   1H5*    C   3          1H5*        C   3   2.641  -7.003  -8.874
   25   2H5*    C   3          2H5*        C   3   2.034  -5.501  -9.600
   26    H4*    C   3           H4*        C   3   0.153  -6.909  -8.943
   27    H3*    C   3           H3*        C   3   0.527  -4.538  -7.107
   28   1H2*    C   3          1H2*        C   3  -1.575  -5.155  -6.158
   29   2HO*    C   3          2HO*        C   3  -3.030  -6.227  -7.172
   30    H1*    C   3           H1*        C   3  -0.970  -7.831  -6.050
   31   1H4     C   3          1H4         C   3   0.411  -5.597  -0.389
   32   2H4     C   3          2H4         C   3   1.972  -4.919  -0.873
   33    H5     C   3           H5         C   3   2.664  -4.977  -3.261
   34    H6     C   3           H6         C   3   1.971  -5.728  -5.500
   35   1H5*    G   4          1H5*        G   4  -3.405  -4.621  -8.756
   36   2H5*    G   4          2H5*        G   4  -4.142  -3.025  -8.942
   37    H4*    G   4           H4*        G   4  -5.512  -4.553  -7.517
   38    H3*    G   4           H3*        G   4  -4.478  -2.085  -6.206
   39   1H2*    G   4          1H2*        G   4  -5.815  -2.832  -4.293
   40   2HO*    G   4          2HO*        G   4  -7.325  -4.334  -4.397
   41    H1*    G   4           H1*        G   4  -4.919  -5.304  -4.285
   42    H8     G   4           H8         G   4  -1.946  -3.263  -5.470
   43    H1     G   4           H1         G   4  -2.911  -3.363   0.881
   44   1H2     G   4          1H2         G   4  -5.144  -3.663   1.230
   45   2H2     G   4          2H2         G   4  -6.164  -4.159  -0.142
   46   1H5*    U   5          1H5*        U   5  -8.665  -2.679  -5.593
   47   2H5*    U   5          2H5*        U   5  -9.602  -1.196  -5.811
   48    H4*    U   5           H4*        U   5  -9.980  -2.095  -3.553
   49    H3*    U   5           H3*        U   5  -8.475   0.464  -3.832
   50   1H2*    U   5          1H2*        U   5  -8.306   0.702  -1.508
   51   2HO*    U   5          2HO*        U   5 -10.500   0.232  -1.029
   52    H1*    U   5           H1*        U   5  -8.044  -2.001  -0.928
   53    H3     U   5           H3         U   5  -4.111  -0.342   0.555
   54    H5     U   5           H5         U   5  -3.680  -0.359  -3.616
   55    H6     U   5           H6         U   5  -6.051  -0.953  -3.820
   56   1H5*    A   6          1H5*        A   6 -10.384   4.243  -2.231
   57   2H5*    A   6          2H5*        A   6  -8.951   3.205  -2.322
   58    H4*    A   6           H4*        A   6 -10.575   3.580   0.238
   59    H3*    A   6           H3*        A   6  -8.259   5.087  -0.970
   60   1H2*    A   6          1H2*        A   6  -7.278   5.345   1.157
   61   2HO*    A   6          2HO*        A   6  -8.359   5.280   2.999
   62    H1*    A   6           H1*        A   6  -7.795   2.801   2.028
   63    H8     A   6           H8         A   6  -6.834   2.633  -1.632
   64   1H6     A   6          1H6         A   6  -1.025   2.288   0.600
   65   2H6     A   6          2H6         A   6  -2.044   1.942  -0.787
   66    H2     A   6           H2         A   6  -3.608   3.607   3.857
   67   1H5*    C   7          1H5*        C   7  -9.404   7.588   2.217
   68   2H5*    C   7          2H5*        C   7  -9.161   9.287   1.754
   69    H4*    C   7           H4*        C   7  -7.764   8.593   3.671
   70    H3*    C   7           H3*        C   7  -6.221   9.433   1.188
   71   1H2*    C   7          1H2*        C   7  -4.318   9.376   2.574
   72   2HO*    C   7          2HO*        C   7  -4.424   8.992   4.795
   73    H1*    C   7           H1*        C   7  -4.914   6.887   3.568
   74   1H4     C   7          1H4         C   7  -1.828   5.075  -1.606
   75   2H4     C   7          2H4         C   7  -3.197   5.451  -2.646
   76    H5     C   7           H5         C   7  -5.187   6.613  -1.829
   77    H6     C   7           H6         C   7  -6.265   7.508   0.172
   78   1H5*    G   8          1H5*        G   8  -4.255  13.789   1.199
   79   2H5*    G   8          2H5*        G   8  -4.156  12.014   1.397
   80    H4*    G   8           H4*        G   8  -3.901  13.920   3.686
   81    H3*    G   8           H3*        G   8  -1.653  12.758   1.991
   82   1H2*    G   8          1H2*        G   8  -0.361  12.733   3.980
   83   2HO*    G   8          2HO*        G   8  -1.014  13.778   5.900
   84    H1*    G   8           H1*        G   8  -2.525  11.909   5.615
   85    H8     G   8           H8         G   8  -2.434  10.055   2.450
   86    H1     G   8           H1         G   8   2.202   8.178   6.467
   87   1H2     G   8          1H2         G   8   2.199   9.658   8.307
   88   2H2     G   8          2H2         G   8   1.055  10.995   8.275
   89   1H5*    U   9          1H5*        U   9   0.645  14.927  -0.825
   90   2H5*    U   9          2H5*        U   9   1.243  13.827   0.426
   91    H4*    U   9           H4*        U   9   2.787  15.614  -0.878
   92    H3*    U   9           H3*        U   9   3.009  14.498   1.816
   93   1H2*    U   9          1H2*        U   9   4.339  16.165   2.721
   94   2HO*    U   9          2HO*        U   9   5.726  17.497   1.456
   95    H1*    U   9           H1*        U   9   3.560  18.358   1.187
   96    H3     U   9           H3         U   9   1.844  20.132   4.936
   97    H5     U   9           H5         U   9   0.497  16.188   5.159
   98    H6     U   9           H6         U   9   1.629  15.718   3.049
   99   1H5*    U  10          1H5*        U  10   6.018  10.771  -0.004
  100   2H5*    U  10          2H5*        U  10   4.568  11.426  -0.831
  101    H4*    U  10           H4*        U  10   4.345   9.018  -0.127
  102    H3*    U  10           H3*        U  10   2.423  10.999  -0.023
  103   1H2*    U  10          1H2*        U  10   2.869  11.714   2.053
  104   2HO*    U  10          2HO*        U  10   0.808   9.851   2.570
  105    H1*    U  10           H1*        U  10   3.007   8.868   3.112
  106    H3     U  10           H3         U  10   5.125   9.520   7.078
  107    H5     U  10           H5         U  10   4.968  13.345   5.433
  108    H6     U  10           H6         U  10   4.138  12.364   3.348
  109   1H5*    U  11          1H5*        U  11   0.372   7.196  -2.466
  110   2H5*    U  11          2H5*        U  11   2.019   7.471  -1.881
  111    H4*    U  11           H4*        U  11   2.205   7.244  -4.236
  112    H3*    U  11           H3*        U  11   3.019   9.627  -3.055
  113   1H2*    U  11          1H2*        U  11   1.148  10.874  -3.626
  114   2HO*    U  11          2HO*        U  11   1.671  12.040  -5.682
  115    H1*    U  11           H1*        U  11   1.136   9.500  -6.344
  116    H3     U  11           H3         U  11  -2.674  11.667  -7.611
  117    H5     U  11           H5         U  11  -3.202  11.110  -3.494
  118    H6     U  11           H6         U  11  -0.981  10.005  -3.432
  119   1H5*    C  12          1H5*        C  12   4.150   7.917  -2.675
  120   2H5*    C  12          2H5*        C  12   5.559   8.697  -1.952
  121    H4*    C  12           H4*        C  12   5.453   6.483  -1.195
  122    H3*    C  12           H3*        C  12   7.661   7.419  -2.335
  123   1H2*    C  12          1H2*        C  12   7.250   6.563  -4.510
  124   2HO*    C  12          2HO*        C  12   8.171   4.249  -4.661
  125    H1*    C  12           H1*        C  12   6.217   3.978  -3.443
  126   1H4     C  12          1H4         C  12   4.897   3.565  -9.489
  127   2H4     C  12          2H4         C  12   3.772   4.937  -9.517
  128    H5     C  12           H5         C  12   3.584   6.378  -7.480
  129    H6     C  12           H6         C  12   4.392   6.612  -5.161
  130   1H5*    G  13          1H5*        G  13   9.169   5.296   2.536
  131   2H5*    G  13          2H5*        G  13   8.546   4.159   1.340
  132    H4*    G  13           H4*        G  13   7.106   6.629   2.447
  133    H3*    G  13           H3*        G  13   6.832   3.626   2.733
  134   1H2*    G  13          1H2*        G  13   4.583   3.752   2.651
  135   2HO*    G  13          2HO*        G  13   3.394   5.657   3.482
  136    H1*    G  13           H1*        G  13   4.592   6.522   1.761
  137    H8     G  13           H8         G  13   5.103   4.158  -1.076
  138    H1     G  13           H1         G  13  -1.064   5.206   0.530
  139   1H2     G  13          1H2         G  13  -1.131   6.077   2.609
  140   2H2     G  13          2H2         G  13   0.439   6.380   3.386
  141   1H5*    U  14          1H5*        U  14   5.076   5.902   6.496
  142   2H5*    U  14          2H5*        U  14   5.508   4.898   7.896
  143    H4*    U  14           H4*        U  14   3.212   5.463   8.170
  144    H3*    U  14           H3*        U  14   3.513   2.638   7.120
  145   1H2*    U  14          1H2*        U  14   1.169   2.433   7.101
  146   2HO*    U  14          2HO*        U  14   0.753   3.215   9.179
  147    H1*    U  14           H1*        U  14   0.578   5.076   6.440
  148    H3     U  14           H3         U  14  -1.174   2.850   2.933
  149    H5     U  14           H5         U  14   2.930   2.254   2.446
  150    H6     U  14           H6         U  14   3.310   3.451   4.564
  151   1H5*    A  15          1H5*        A  15   1.048  -0.452   9.897
  152   2H5*    A  15          2H5*        A  15   1.384   0.176   8.273
  153    H4*    A  15           H4*        A  15  -1.078   1.044   9.845
  154    H3*    A  15           H3*        A  15  -0.644  -1.333   8.026
  155   1H2*    A  15          1H2*        A  15  -2.858  -1.026   7.193
  156   2HO*    A  15          2HO*        A  15  -4.341   0.356   8.110
  157    H1*    A  15           H1*        A  15  -2.608   1.688   6.887
  158    H8     A  15           H8         A  15   0.742   0.289   5.992
  159   1H6     A  15          1H6         A  15  -1.742  -0.469   0.334
  160   2H6     A  15          2H6         A  15  -0.260  -0.530   1.282
  161    H2     A  15           H2         A  15  -5.043   0.245   3.151
  162   1H5*    C  16          1H5*        C  16  -4.378  -2.070   9.403
  163   2H5*    C  16          2H5*        C  16  -4.614  -3.765   9.872
  164    H4*    C  16           H4*        C  16  -6.129  -3.159   8.031
  165    H3*    C  16           H3*        C  16  -3.893  -5.014   7.214
  166   1H2*    C  16          1H2*        C  16  -5.044  -5.228   5.127
  167   2HO*    C  16          2HO*        C  16  -7.107  -5.010   4.953
  168    H1*    C  16           H1*        C  16  -5.592  -2.562   4.918
  169   1H4     C  16          1H4         C  16  -0.550  -3.561   1.452
  170   2H4     C  16          2H4         C  16   0.571  -3.997   2.750
  171    H5     C  16           H5         C  16  -0.278  -3.649   5.160
  172    H6     C  16           H6         C  16  -2.353  -3.365   6.482
  173   1H5*    G  17          1H5*        G  17  -7.822  -6.711   6.345
  174   2H5*    G  17          2H5*        G  17  -7.796  -8.480   6.469
  175    H4*    G  17           H4*        G  17  -8.616  -7.709   4.253
  176    H3*    G  17           H3*        G  17  -5.972  -9.167   4.306
  177   1H2*    G  17          1H2*        G  17  -6.114  -9.233   1.904
  178   2HO*    G  17          2HO*        G  17  -7.933  -8.780   0.785
  179    H1*    G  17           H1*        G  17  -6.843  -6.610   1.690
  180    H8     G  17           H8         G  17  -4.361  -7.021   4.547
  181    H1     G  17           H1         G  17  -1.625  -6.673  -1.226
  182   1H2     G  17          1H2         G  17  -3.171  -7.304  -2.801
  183   2H2     G  17          2H2         G  17  -4.844  -7.636  -2.290
  184   1H5*    C  18          1H5*        C  18  -8.259 -11.388   1.579
  185   2H5*    C  18          2H5*        C  18  -8.100 -13.119   1.937
  186    H4*    C  18           H4*        C  18  -7.425 -12.791  -0.351
  187    H3*    C  18           H3*        C  18  -4.992 -13.089   1.435
  188   1H2*    C  18          1H2*        C  18  -3.763 -13.355  -0.637
  189   2HO*    C  18          2HO*        C  18  -4.760 -13.431  -2.620
  190    H1*    C  18           H1*        C  18  -4.959 -11.129  -1.705
  191   1H4     C  18          1H4         C  18  -0.132  -8.515   0.953
  192   2H4     C  18          2H4         C  18  -0.887  -8.416   2.549
  193    H5     C  18           H5         C  18  -2.833  -9.848   3.072
  194    H6     C  18           H6         C  18  -4.694 -10.948   1.936
  195   1H5*    C  19          1H5*        C  19  -4.435 -15.785  -1.525
  196   2H5*    C  19          2H5*        C  19  -3.926 -17.335  -0.870
  197    H4*    C  19           H4*        C  19  -2.384 -16.649  -2.587
  198    H3*    C  19           H3*        C  19  -1.207 -16.549   0.204
  199   1H2*    C  19          1H2*        C  19   0.863 -16.002  -0.816
  200   2HO*    C  19          2HO*        C  19   1.231 -16.402  -3.053
  201    H1*    C  19           H1*        C  19  -0.208 -14.463  -2.929
  202   1H4     C  19          1H4         C  19   1.977 -10.346   0.899
  203   2H4     C  19          2H4         C  19   0.599 -10.376   1.968
  204    H5     C  19           H5         C  19  -0.815 -12.405   2.040
  205    H6     C  19           H6         C  19  -1.637 -14.082   0.411
  206    H3T    C  19           H3T        C  19  -0.273 -18.481  -0.599
   
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1   9.115  -0.708   0.731
    2   2H5*    G   1          2H5*        G   1   8.527  -0.073  -0.822
    3    H4*    G   1           H4*        G   1   8.714  -2.605  -0.730
    4    H3*    G   1           H3*        G   1   6.021  -1.388  -1.180
    5   1H2*    G   1          1H2*        G   1   5.236  -3.612  -1.608
    6   2HO*    G   1          2HO*        G   1   6.793  -5.399  -1.598
    7    H1*    G   1           H1*        G   1   6.607  -4.721   0.479
    8    H8     G   1           H8         G   1   4.325  -1.530   0.223
    9    H1     G   1           H1         G   1   2.296  -6.237   4.091
   10   1H2     G   1          1H2         G   1   3.923  -7.900   4.143
   11   2H2     G   1          2H2         G   1   5.340  -7.679   3.118
   12    H5T    G   1           H5T        G   1   7.453   0.864   0.986
   13   1H5*    G   2          1H5*        G   2   7.530  -4.486  -4.542
   14   2H5*    G   2          2H5*        G   2   7.122  -3.541  -5.973
   15    H4*    G   2           H4*        G   2   6.529  -5.641  -6.672
   16    H3*    G   2           H3*        G   2   4.073  -4.303  -5.547
   17   1H2*    G   2          1H2*        G   2   2.782  -6.211  -5.998
   18   2HO*    G   2          2HO*        G   2   3.401  -7.838  -7.352
   19    H1*    G   2           H1*        G   2   4.597  -8.059  -5.143
   20    H8     G   2           H8         G   2   5.132  -5.153  -2.919
   21    H1     G   2           H1         G   2   0.423  -9.098  -1.002
   22   1H2     G   2          1H2         G   2  -0.351 -10.227  -2.799
   23   2H2     G   2          2H2         G   2   0.490 -10.024  -4.348
   24   1H5*    C   3          1H5*        C   3   2.595  -5.810  -8.951
   25   2H5*    C   3          2H5*        C   3   1.681  -4.622  -9.896
   26    H4*    C   3           H4*        C   3   0.218  -6.470  -9.254
   27    H3*    C   3           H3*        C   3  -0.307  -3.817  -7.930
   28   1H2*    C   3          1H2*        C   3  -2.057  -4.761  -6.690
   29   2HO*    C   3          2HO*        C   3  -3.136  -5.730  -8.438
   30    H1*    C   3           H1*        C   3  -1.037  -7.354  -6.455
   31   1H4     C   3          1H4         C   3   0.052  -5.191  -0.665
   32   2H4     C   3          2H4         C   3   1.299  -4.069  -1.196
   33    H5     C   3           H5         C   3   1.776  -3.726  -3.584
   34    H6     C   3           H6         C   3   1.168  -4.461  -5.850
   35   1H5*    G   4          1H5*        G   4  -4.474  -1.921  -8.669
   36   2H5*    G   4          2H5*        G   4  -3.241  -2.426  -7.499
   37    H4*    G   4           H4*        G   4  -5.911  -3.861  -7.886
   38    H3*    G   4           H3*        G   4  -5.087  -1.685  -5.996
   39   1H2*    G   4          1H2*        G   4  -6.445  -2.790  -4.314
   40   2HO*    G   4          2HO*        G   4  -7.886  -4.361  -4.766
   41    H1*    G   4           H1*        G   4  -5.469  -5.224  -4.740
   42    H8     G   4           H8         G   4  -2.499  -3.052  -5.533
   43    H1     G   4           H1         G   4  -3.602  -3.628   0.754
   44   1H2     G   4          1H2         G   4  -5.793  -4.075   1.058
   45   2H2     G   4          2H2         G   4  -6.769  -4.603  -0.336
   46   1H5*    U   5          1H5*        U   5  -9.213  -2.062  -5.504
   47   2H5*    U   5          2H5*        U   5 -10.050  -0.495  -5.483
   48    H4*    U   5           H4*        U   5 -10.438  -1.638  -3.356
   49    H3*    U   5           H3*        U   5  -8.542   0.666  -3.170
   50   1H2*    U   5          1H2*        U   5  -8.531   0.375  -0.800
   51   2HO*    U   5          2HO*        U   5  -9.946  -1.010   0.261
   52    H1*    U   5           H1*        U   5  -8.294  -2.350  -0.928
   53    H3     U   5           H3         U   5  -4.441  -0.516   0.699
   54    H5     U   5           H5         U   5  -4.058  -0.295  -3.473
   55    H6     U   5           H6         U   5  -6.384  -0.955  -3.690
   56   1H5*    A   6          1H5*        A   6  -9.071   2.316  -1.040
   57   2H5*    A   6          2H5*        A   6 -10.581   1.759  -0.313
   58    H4*    A   6           H4*        A   6 -10.719   3.831   1.005
   59    H3*    A   6           H3*        A   6  -8.430   4.637  -0.768
   60   1H2*    A   6          1H2*        A   6  -7.186   5.543   0.992
   61   2HO*    A   6          2HO*        A   6  -8.069   6.480   2.616
   62    H1*    A   6           H1*        A   6  -7.677   3.612   2.847
   63    H8     A   6           H8         A   6  -7.140   2.406  -0.824
   64   1H6     A   6          1H6         A   6  -1.198   2.050   0.904
   65   2H6     A   6          2H6         A   6  -2.364   1.663  -0.350
   66    H2     A   6           H2         A   6  -3.435   3.964   4.200
   67   1H5*    C   7          1H5*        C   7  -9.235   8.233   1.582
   68   2H5*    C   7          2H5*        C   7  -8.801   9.642   0.597
   69    H4*    C   7           H4*        C   7  -7.469   9.425   2.689
   70    H3*    C   7           H3*        C   7  -5.812   9.257   0.142
   71   1H2*    C   7          1H2*        C   7  -3.968   9.506   1.580
   72   2HO*    C   7          2HO*        C   7  -4.489  10.738   3.269
   73    H1*    C   7           H1*        C   7  -4.782   7.382   3.128
   74   1H4     C   7          1H4         C   7  -1.777   4.430  -1.580
   75   2H4     C   7          2H4         C   7  -3.121   4.657  -2.700
   76    H5     C   7           H5         C   7  -5.105   5.972  -2.108
   77    H6     C   7           H6         C   7  -6.138   7.256  -0.354
   78   1H5*    G   8          1H5*        G   8  -5.315  13.133   2.348
   79   2H5*    G   8          2H5*        G   8  -4.509  14.383   1.381
   80    H4*    G   8           H4*        G   8  -3.357  13.889   3.541
   81    H3*    G   8           H3*        G   8  -1.741  13.000   1.121
   82   1H2*    G   8          1H2*        G   8  -0.003  12.632   2.624
   83   2HO*    G   8          2HO*        G   8  -0.045  13.380   4.809
   84    H1*    G   8           H1*        G   8  -1.964  12.009   4.742
   85    H8     G   8           H8         G   8  -2.172   9.641   2.016
   86    H1     G   8           H1         G   8   2.440   8.276   6.272
   87   1H2     G   8          1H2         G   8   2.924  10.217   7.448
   88   2H2     G   8          2H2         G   8   1.983  11.660   7.093
   89   1H5*    U   9          1H5*        U   9   0.283  15.389  -1.710
   90   2H5*    U   9          2H5*        U   9   1.134  14.333  -0.571
   91    H4*    U   9           H4*        U   9   2.308  16.268  -1.998
   92    H3*    U   9           H3*        U   9   3.069  15.156   0.584
   93   1H2*    U   9          1H2*        U   9   4.228  16.977   1.402
   94   2HO*    U   9          2HO*        U   9   5.194  18.569   0.043
   95    H1*    U   9           H1*        U   9   2.921  19.076   0.184
   96    H3     U   9           H3         U   9   1.055  20.316   4.043
   97    H5     U   9           H5         U   9   0.713  16.166   4.251
   98    H6     U   9           H6         U   9   1.722  15.981   2.061
   99   1H5*    U  10          1H5*        U  10   6.065  11.933  -1.625
  100   2H5*    U  10          2H5*        U  10   4.293  12.091  -1.748
  101    H4*    U  10           H4*        U  10   5.223   9.905  -0.699
  102    H3*    U  10           H3*        U  10   2.904  11.296  -0.061
  103   1H2*    U  10          1H2*        U  10   3.727  12.459   1.744
  104   2HO*    U  10          2HO*        U  10   3.068  11.393   3.720
  105    H1*    U  10           H1*        U  10   5.223   9.957   2.607
  106    H3     U  10           H3         U  10   7.368  11.954   6.071
  107    H5     U  10           H5         U  10   6.232  15.186   3.643
  108    H6     U  10           H6         U  10   5.411  13.584   2.012
  109   1H5*    U  11          1H5*        U  11   1.430   6.352  -0.750
  110   2H5*    U  11          2H5*        U  11   3.088   6.965  -0.754
  111    H4*    U  11           H4*        U  11   2.814   6.003  -2.864
  112    H3*    U  11           H3*        U  11   3.244   8.764  -2.698
  113   1H2*    U  11          1H2*        U  11   1.038   9.395  -3.083
  114   2HO*    U  11          2HO*        U  11   0.815   9.808  -5.455
  115    H1*    U  11           H1*        U  11   0.704   7.204  -5.138
  116    H3     U  11           H3         U  11  -3.744   8.158  -5.550
  117    H5     U  11           H5         U  11  -2.982   8.791  -1.477
  118    H6     U  11           H6         U  11  -0.629   8.213  -1.899
  119   1H5*    C  12          1H5*        C  12   4.856   7.773  -1.838
  120   2H5*    C  12          2H5*        C  12   6.290   8.805  -2.003
  121    H4*    C  12           H4*        C  12   6.700   7.117  -0.374
  122    H3*    C  12           H3*        C  12   8.373   7.557  -2.466
  123   1H2*    C  12          1H2*        C  12   7.508   5.812  -3.862
  124   2HO*    C  12          2HO*        C  12   8.806   3.724  -3.284
  125    H1*    C  12           H1*        C  12   7.376   3.984  -1.497
  126   1H4     C  12          1H4         C  12   4.495   0.604  -5.879
  127   2H4     C  12          2H4         C  12   3.194   1.781  -6.133
  128    H5     C  12           H5         C  12   3.355   4.031  -5.102
  129    H6     C  12           H6         C  12   4.719   5.387  -3.568
  130   1H5*    G  13          1H5*        G  13   8.947   5.610   2.799
  131   2H5*    G  13          2H5*        G  13   8.457   4.887   1.242
  132    H4*    G  13           H4*        G  13   6.554   6.416   3.060
  133    H3*    G  13           H3*        G  13   6.892   3.419   2.618
  134   1H2*    G  13          1H2*        G  13   4.599   3.227   3.054
  135   2HO*    G  13          2HO*        G  13   3.407   4.990   4.096
  136    H1*    G  13           H1*        G  13   4.161   5.945   2.206
  137    H8     G  13           H8         G  13   5.066   3.576  -0.638
  138    H1     G  13           H1         G  13  -1.147   4.721   0.668
  139   1H2     G  13          1H2         G  13  -1.235   5.777   2.693
  140   2H2     G  13          2H2         G  13   0.289   5.948   3.581
  141   1H5*    U  14          1H5*        U  14   5.395   4.764   6.947
  142   2H5*    U  14          2H5*        U  14   5.719   3.434   8.075
  143    H4*    U  14           H4*        U  14   3.508   4.299   8.501
  144    H3*    U  14           H3*        U  14   3.435   1.606   7.128
  145   1H2*    U  14          1H2*        U  14   1.054   1.694   7.268
  146   2HO*    U  14          2HO*        U  14   0.849   2.357   9.408
  147    H1*    U  14           H1*        U  14   0.794   4.404   6.784
  148    H3     U  14           H3         U  14  -1.201   2.539   3.206
  149    H5     U  14           H5         U  14   2.821   1.525   2.641
  150    H6     U  14           H6         U  14   3.335   2.608   4.790
  151   1H5*    A  15          1H5*        A  15   0.601  -1.426   9.720
  152   2H5*    A  15          2H5*        A  15   0.946  -0.677   8.155
  153    H4*    A  15           H4*        A  15  -1.271   0.355   9.973
  154    H3*    A  15           H3*        A  15  -1.306  -1.857   7.918
  155   1H2*    A  15          1H2*        A  15  -3.508  -1.155   7.240
  156   2HO*    A  15          2HO*        A  15  -4.654   0.435   8.346
  157    H1*    A  15           H1*        A  15  -2.796   1.488   7.020
  158    H8     A  15           H8         A  15   0.347  -0.323   6.113
  159   1H6     A  15          1H6         A  15  -2.159  -0.611   0.449
  160   2H6     A  15          2H6         A  15  -0.716  -0.837   1.429
  161    H2     A  15           H2         A  15  -5.397   0.429   3.299
  162   1H5*    C  16          1H5*        C  16  -4.973  -2.458   9.280
  163   2H5*    C  16          2H5*        C  16  -5.250  -4.151   9.741
  164    H4*    C  16           H4*        C  16  -6.798  -3.574   7.964
  165    H3*    C  16           H3*        C  16  -4.512  -5.266   6.930
  166   1H2*    C  16          1H2*        C  16  -5.797  -5.454   4.907
  167   2HO*    C  16          2HO*        C  16  -7.880  -4.823   4.722
  168    H1*    C  16           H1*        C  16  -6.346  -2.765   4.851
  169   1H4     C  16          1H4         C  16  -1.234  -3.493   1.342
  170   2H4     C  16          2H4         C  16  -0.147  -3.647   2.760
  171    H5     C  16           H5         C  16  -1.022  -3.604   5.014
  172    H6     C  16           H6         C  16  -3.098  -3.470   6.346
  173   1H5*    G  17          1H5*        G  17  -8.113  -7.259   5.871
  174   2H5*    G  17          2H5*        G  17  -7.918  -9.016   6.036
  175    H4*    G  17           H4*        G  17  -8.678  -8.385   3.770
  176    H3*    G  17           H3*        G  17  -5.881  -9.504   3.971
  177   1H2*    G  17          1H2*        G  17  -5.902  -9.615   1.567
  178   2HO*    G  17          2HO*        G  17  -7.723  -9.348   0.356
  179    H1*    G  17           H1*        G  17  -6.954  -7.103   1.287
  180    H8     G  17           H8         G  17  -4.604  -7.017   4.240
  181    H1     G  17           H1         G  17  -1.630  -6.748  -1.427
  182   1H2     G  17          1H2         G  17  -3.064  -7.546  -3.054
  183   2H2     G  17          2H2         G  17  -4.703  -8.045  -2.581
  184   1H5*    C  18          1H5*        C  18  -7.534 -12.058   1.136
  185   2H5*    C  18          2H5*        C  18  -7.201 -13.733   1.620
  186    H4*    C  18           H4*        C  18  -6.298 -13.462  -0.584
  187    H3*    C  18           H3*        C  18  -4.077 -13.262   1.472
  188   1H2*    C  18          1H2*        C  18  -2.586 -13.455  -0.400
  189   2HO*    C  18          2HO*        C  18  -3.287 -13.855  -2.474
  190    H1*    C  18           H1*        C  18  -3.976 -11.564  -1.824
  191   1H4     C  18          1H4         C  18   0.126  -8.023   1.047
  192   2H4     C  18          2H4         C  18  -0.766  -8.002   2.563
  193    H5     C  18           H5         C  18  -2.542  -9.636   2.996
  194    H6     C  18           H6         C  18  -4.131 -11.049   1.788
  195   1H5*    C  19          1H5*        C  19  -2.735 -16.035  -1.097
  196   2H5*    C  19          2H5*        C  19  -1.949 -17.370  -0.261
  197    H4*    C  19           H4*        C  19  -0.445 -16.371  -1.882
  198    H3*    C  19           H3*        C  19   0.379 -15.943   1.003
  199   1H2*    C  19          1H2*        C  19   2.370 -14.969   0.143
  200   2HO*    C  19          2HO*        C  19   3.022 -15.322  -2.039
  201    H1*    C  19           H1*        C  19   1.185 -13.755  -2.121
  202   1H4     C  19          1H4         C  19   2.569  -9.514   2.138
  203   2H4     C  19          2H4         C  19   1.344  -9.978   3.333
  204    H5     C  19           H5         C  19  -0.064 -11.982   2.860
  205    H6     C  19           H6         C  19  -0.562 -13.651   1.087
  206    H3T    C  19           H3T        C  19   1.802 -17.630   0.382
   
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1   9.295  -1.786   0.133
    2   2H5*    G   1          2H5*        G   1   9.020  -1.489  -1.595
    3    H4*    G   1           H4*        G   1   9.112  -3.876  -1.238
    4    H3*    G   1           H3*        G   1   6.335  -2.886  -1.729
    5   1H2*    G   1          1H2*        G   1   5.635  -5.152  -1.786
    6   2HO*    G   1          2HO*        G   1   7.269  -6.869  -1.576
    7    H1*    G   1           H1*        G   1   7.066  -5.922   0.378
    8    H8     G   1           H8         G   1   5.336  -2.424   0.381
    9    H1     G   1           H1         G   1   2.111  -7.228   3.181
   10   1H2     G   1          1H2         G   1   3.300  -9.219   2.819
   11   2H2     G   1          2H2         G   1   4.847  -9.068   1.982
   12    H5T    G   1           H5T        G   1   7.690  -0.183  -0.256
   13   1H5*    G   2          1H5*        G   2   7.795  -6.461  -4.620
   14   2H5*    G   2          2H5*        G   2   7.460  -5.648  -6.149
   15    H4*    G   2           H4*        G   2   6.784  -7.792  -6.641
   16    H3*    G   2           H3*        G   2   4.384  -6.203  -5.734
   17   1H2*    G   2          1H2*        G   2   2.977  -8.045  -6.026
   18   2HO*    G   2          2HO*        G   2   3.587  -9.918  -7.094
   19    H1*    G   2           H1*        G   2   4.595  -9.861  -4.817
   20    H8     G   2           H8         G   2   5.529  -6.875  -2.910
   21    H1     G   2           H1         G   2  -0.045  -9.416  -0.979
   22   1H2     G   2          1H2         G   2  -0.878 -10.715  -2.645
   23   2H2     G   2          2H2         G   2   0.066 -10.907  -4.140
   24   1H5*    C   3          1H5*        C   3   2.680  -7.692  -8.778
   25   2H5*    C   3          2H5*        C   3   1.984  -6.491  -9.884
   26    H4*    C   3           H4*        C   3   0.205  -7.894  -8.996
   27    H3*    C   3           H3*        C   3   0.254  -5.064  -7.958
   28   1H2*    C   3          1H2*        C   3  -1.622  -5.517  -6.634
   29   2HO*    C   3          2HO*        C   3  -2.905  -6.451  -8.257
   30    H1*    C   3           H1*        C   3  -1.090  -8.214  -6.118
   31   1H4     C   3          1H4         C   3   0.225  -5.440  -0.671
   32   2H4     C   3          2H4         C   3   1.707  -4.674  -1.253
   33    H5     C   3           H5         C   3   2.375  -4.882  -3.636
   34    H6     C   3           H6         C   3   1.716  -5.871  -5.798
   35   1H5*    G   4          1H5*        G   4  -3.620  -2.556  -8.771
   36   2H5*    G   4          2H5*        G   4  -2.438  -3.154  -7.592
   37    H4*    G   4           H4*        G   4  -5.271  -4.269  -7.818
   38    H3*    G   4           H3*        G   4  -4.220  -2.017  -6.151
   39   1H2*    G   4          1H2*        G   4  -5.727  -2.820  -4.406
   40   2HO*    G   4          2HO*        G   4  -7.285  -4.296  -4.745
   41    H1*    G   4           H1*        G   4  -4.940  -5.347  -4.552
   42    H8     G   4           H8         G   4  -1.765  -3.615  -5.529
   43    H1     G   4           H1         G   4  -3.068  -3.198   0.745
   44   1H2     G   4          1H2         G   4  -5.270  -3.556   1.066
   45   2H2     G   4          2H2         G   4  -6.243  -4.158  -0.299
   46   1H5*    U   5          1H5*        U   5  -8.389  -2.070  -5.760
   47   2H5*    U   5          2H5*        U   5  -9.119  -0.463  -5.944
   48    H4*    U   5           H4*        U   5  -9.723  -1.353  -3.755
   49    H3*    U   5           H3*        U   5  -7.675   0.825  -3.655
   50   1H2*    U   5          1H2*        U   5  -7.965   0.850  -1.273
   51   2HO*    U   5          2HO*        U   5  -9.541  -0.294  -0.230
   52    H1*    U   5           H1*        U   5  -7.786  -1.883  -1.085
   53    H3     U   5           H3         U   5  -3.916  -0.099   0.544
   54    H5     U   5           H5         U   5  -3.314  -0.362  -3.599
   55    H6     U   5           H6         U   5  -5.641  -0.972  -3.872
   56   1H5*    A   6          1H5*        A   6 -10.643   2.081  -0.954
   57   2H5*    A   6          2H5*        A   6 -11.112   3.749  -1.334
   58    H4*    A   6           H4*        A   6 -10.485   3.649   1.011
   59    H3*    A   6           H3*        A   6  -8.436   4.992  -0.756
   60   1H2*    A   6          1H2*        A   6  -7.231   5.579   1.200
   61   2HO*    A   6          2HO*        A   6  -8.182   5.966   3.009
   62    H1*    A   6           H1*        A   6  -7.623   3.180   2.470
   63    H8     A   6           H8         A   6  -6.879   2.840  -1.282
   64   1H6     A   6          1H6         A   6  -0.972   2.480   0.715
   65   2H6     A   6          2H6         A   6  -2.034   2.079  -0.621
   66    H2     A   6           H2         A   6  -3.415   3.958   4.028
   67   1H5*    C   7          1H5*        C   7  -9.502   7.828   2.277
   68   2H5*    C   7          2H5*        C   7  -9.298   9.468   1.621
   69    H4*    C   7           H4*        C   7  -7.844   9.022   3.583
   70    H3*    C   7           H3*        C   7  -6.394   9.553   0.967
   71   1H2*    C   7          1H2*        C   7  -4.497   9.832   2.255
   72   2HO*    C   7          2HO*        C   7  -5.078  10.719   4.154
   73    H1*    C   7           H1*        C   7  -4.920   7.385   3.549
   74   1H4     C   7          1H4         C   7  -1.934   5.208  -1.524
   75   2H4     C   7          2H4         C   7  -3.299   5.501  -2.609
   76    H5     C   7           H5         C   7  -5.309   6.704  -1.825
   77    H6     C   7           H6         C   7  -6.368   7.683   0.129
   78   1H5*    G   8          1H5*        G   8  -5.999  13.415   3.425
   79   2H5*    G   8          2H5*        G   8  -5.280  14.640   2.362
   80    H4*    G   8           H4*        G   8  -3.872  14.100   4.322
   81    H3*    G   8           H3*        G   8  -2.668  13.112   1.724
   82   1H2*    G   8          1H2*        G   8  -0.796  12.518   2.972
   83   2HO*    G   8          2HO*        G   8  -0.418  13.350   5.134
   84    H1*    G   8           H1*        G   8  -2.501  12.361   5.407
   85    H8     G   8           H8         G   8  -2.751   9.765   2.820
   86    H1     G   8           H1         G   8   1.847   8.688   7.152
   87   1H2     G   8          1H2         G   8   2.322  10.699   8.172
   88   2H2     G   8          2H2         G   8   1.122  11.988   8.028
   89   1H5*    U   9          1H5*        U   9   0.421  14.968  -0.565
   90   2H5*    U   9          2H5*        U   9   0.778  13.776   0.691
   91    H4*    U   9           H4*        U   9   2.622  15.346  -0.452
   92    H3*    U   9           H3*        U   9   2.534  14.228   2.256
   93   1H2*    U   9          1H2*        U   9   3.962  15.757   3.241
   94   2HO*    U   9          2HO*        U   9   5.582  16.920   2.063
   95    H1*    U   9           H1*        U   9   3.582  17.996   1.617
   96    H3     U   9           H3         U   9   1.808  20.092   5.154
   97    H5     U   9           H5         U   9  -0.015  16.342   5.381
   98    H6     U   9           H6         U   9   1.200  15.657   3.387
   99   1H5*    U  10          1H5*        U  10   5.908  10.534   0.111
  100   2H5*    U  10          2H5*        U  10   4.505  11.229  -0.746
  101    H4*    U  10           H4*        U  10   4.353   8.722  -0.477
  102    H3*    U  10           H3*        U  10   2.344  10.598  -0.132
  103   1H2*    U  10          1H2*        U  10   2.449  10.859   2.062
  104   2HO*    U  10          2HO*        U  10   0.794   8.561   2.241
  105    H1*    U  10           H1*        U  10   2.931   7.938   2.653
  106    H3     U  10           H3         U  10   4.607   8.064   6.740
  107    H5     U  10           H5         U  10   3.766  12.077   5.848
  108    H6     U  10           H6         U  10   3.546  11.464   3.530
  109   1H5*    U  11          1H5*        U  11   0.475   7.256  -3.363
  110   2H5*    U  11          2H5*        U  11   2.061   7.367  -2.590
  111    H4*    U  11           H4*        U  11   2.476   7.393  -4.908
  112    H3*    U  11           H3*        U  11   3.272   9.615  -3.387
  113   1H2*    U  11          1H2*        U  11   1.558  11.009  -4.033
  114   2HO*    U  11          2HO*        U  11   2.372  12.329  -5.875
  115    H1*    U  11           H1*        U  11   1.742   9.926  -6.857
  116    H3     U  11           H3         U  11  -1.778  12.481  -8.210
  117    H5     U  11           H5         U  11  -2.758  11.511  -4.257
  118    H6     U  11           H6         U  11  -0.630  10.246  -4.113
  119   1H5*    C  12          1H5*        C  12   4.369   8.145  -2.697
  120   2H5*    C  12          2H5*        C  12   5.955   8.527  -2.016
  121    H4*    C  12           H4*        C  12   5.221   6.418  -1.246
  122    H3*    C  12           H3*        C  12   7.637   6.721  -2.364
  123   1H2*    C  12          1H2*        C  12   7.077   5.945  -4.524
  124   2HO*    C  12          2HO*        C  12   7.309   3.421  -4.520
  125    H1*    C  12           H1*        C  12   5.362   3.776  -3.326
  126   1H4     C  12          1H4         C  12   4.132   3.124  -9.367
  127   2H4     C  12          2H4         C  12   3.464   4.752  -9.591
  128    H5     C  12           H5         C  12   3.666   6.397  -7.722
  129    H6     C  12           H6         C  12   4.450   6.635  -5.388
  130   1H5*    G  13          1H5*        G  13   8.454   6.621   0.603
  131   2H5*    G  13          2H5*        G  13   9.200   5.940   2.064
  132    H4*    G  13           H4*        G  13   7.002   6.791   2.641
  133    H3*    G  13           H3*        G  13   7.274   3.791   2.561
  134   1H2*    G  13          1H2*        G  13   5.044   3.458   2.460
  135   2HO*    G  13          2HO*        G  13   4.590   5.773   4.155
  136    H1*    G  13           H1*        G  13   4.396   6.324   2.250
  137    H8     G  13           H8         G  13   4.955   4.125  -0.852
  138    H1     G  13           H1         G  13  -1.144   5.490   0.772
  139   1H2     G  13          1H2         G  13  -1.152   6.386   2.865
  140   2H2     G  13          2H2         G  13   0.369   6.518   3.747
  141   1H5*    U  14          1H5*        U  14   5.516   5.595   6.728
  142   2H5*    U  14          2H5*        U  14   5.920   4.456   8.026
  143    H4*    U  14           H4*        U  14   3.628   5.105   8.310
  144    H3*    U  14           H3*        U  14   3.801   2.329   7.126
  145   1H2*    U  14          1H2*        U  14   1.433   2.246   7.202
  146   2HO*    U  14          2HO*        U  14   1.119   2.981   9.306
  147    H1*    U  14           H1*        U  14   0.990   4.945   6.640
  148    H3     U  14           H3         U  14  -1.016   3.125   3.041
  149    H5     U  14           H5         U  14   2.973   1.961   2.559
  150    H6     U  14           H6         U  14   3.474   2.921   4.745
  151   1H5*    A  15          1H5*        A  15   1.155  -0.753   9.789
  152   2H5*    A  15          2H5*        A  15   1.498  -0.056   8.196
  153    H4*    A  15           H4*        A  15  -0.860   0.886   9.882
  154    H3*    A  15           H3*        A  15  -0.643  -1.408   7.928
  155   1H2*    A  15          1H2*        A  15  -2.870  -0.907   7.176
  156   2HO*    A  15          2HO*        A  15  -4.184   0.594   8.189
  157    H1*    A  15           H1*        A  15  -2.388   1.777   6.914
  158    H8     A  15           H8         A  15   0.881   0.192   6.027
  159   1H6     A  15          1H6         A  15  -1.566  -0.327   0.345
  160   2H6     A  15          2H6         A  15  -0.114  -0.481   1.326
  161    H2     A  15           H2         A  15  -4.878   0.482   3.160
  162   1H5*    C  16          1H5*        C  16  -4.380  -1.976   9.309
  163   2H5*    C  16          2H5*        C  16  -4.683  -3.659   9.781
  164    H4*    C  16           H4*        C  16  -6.237  -3.019   8.011
  165    H3*    C  16           H3*        C  16  -4.057  -4.873   7.034
  166   1H2*    C  16          1H2*        C  16  -5.377  -5.063   5.022
  167   2HO*    C  16          2HO*        C  16  -7.430  -4.480   4.872
  168    H1*    C  16           H1*        C  16  -5.795  -2.365   4.863
  169   1H4     C  16          1H4         C  16  -0.732  -3.363   1.324
  170   2H4     C  16          2H4         C  16   0.318  -3.795   2.690
  171    H5     C  16           H5         C  16  -0.503  -3.514   5.003
  172    H6     C  16           H6         C  16  -2.550  -3.248   6.351
  173   1H5*    G  17          1H5*        G  17  -7.875  -6.636   6.220
  174   2H5*    G  17          2H5*        G  17  -7.809  -8.398   6.425
  175    H4*    G  17           H4*        G  17  -8.638  -7.769   4.182
  176    H3*    G  17           H3*        G  17  -5.936  -9.107   4.298
  177   1H2*    G  17          1H2*        G  17  -6.050  -9.274   1.907
  178   2HO*    G  17          2HO*        G  17  -7.891  -8.940   0.753
  179    H1*    G  17           H1*        G  17  -6.950  -6.709   1.575
  180    H8     G  17           H8         G  17  -4.437  -6.766   4.421
  181    H1     G  17           H1         G  17  -1.737  -6.710  -1.374
  182   1H2     G  17          1H2         G  17  -3.256  -7.529  -2.892
  183   2H2     G  17          2H2         G  17  -4.916  -7.876  -2.356
  184   1H5*    C  18          1H5*        C  18  -7.927 -11.710   1.718
  185   2H5*    C  18          2H5*        C  18  -7.710 -13.369   2.311
  186    H4*    C  18           H4*        C  18  -6.872 -13.347   0.072
  187    H3*    C  18           H3*        C  18  -4.555 -13.124   2.018
  188   1H2*    C  18          1H2*        C  18  -3.151 -13.573   0.106
  189   2HO*    C  18          2HO*        C  18  -3.990 -14.053  -1.907
  190    H1*    C  18           H1*        C  18  -4.479 -11.689  -1.393
  191   1H4     C  18          1H4         C  18  -0.149  -8.163   1.056
  192   2H4     C  18          2H4         C  18  -0.979  -7.941   2.598
  193    H5     C  18           H5         C  18  -2.823  -9.464   3.226
  194    H6     C  18           H6         C  18  -4.493 -10.909   2.180
  195   1H5*    C  19          1H5*        C  19  -3.490 -16.160  -0.400
  196   2H5*    C  19          2H5*        C  19  -2.947 -17.534   0.552
  197    H4*    C  19           H4*        C  19  -1.272 -17.030  -1.084
  198    H3*    C  19           H3*        C  19  -0.420 -16.277   1.727
  199   1H2*    C  19          1H2*        C  19   1.689 -15.717   0.811
  200   2HO*    C  19          2HO*        C  19   2.352 -16.530  -1.240
  201    H1*    C  19           H1*        C  19   0.727 -14.791  -1.692
  202   1H4     C  19          1H4         C  19   2.147  -9.712   1.257
  203   2H4     C  19          2H4         C  19   0.784  -9.732   2.331
  204    H5     C  19           H5         C  19  -0.437 -11.833   2.698
  205    H6     C  19           H6         C  19  -1.002 -13.865   1.390
  206    H3T    C  19           H3T        C  19   0.749 -18.223   1.420
   
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1   6.797  -4.368   1.587
    2   2H5*    G   1          2H5*        G   1   6.253  -3.456   0.166
    3    H4*    G   1           H4*        G   1   8.290  -4.735  -0.364
    4    H3*    G   1           H3*        G   1   5.798  -5.746  -1.661
    5   1H2*    G   1          1H2*        G   1   7.251  -7.310  -2.895
    6   2HO*    G   1          2HO*        G   1   9.475  -7.144  -2.827
    7    H1*    G   1           H1*        G   1   8.603  -8.009  -0.740
    8    H8     G   1           H8         G   1   7.462  -9.997  -2.167
    9    H1     G   1           H1         G   1   2.169  -9.297   1.322
   10   1H2     G   1          1H2         G   1   2.126  -7.194   2.098
   11   2H2     G   1          2H2         G   1   3.568  -6.195   1.994
   12    H5T    G   1           H5T        G   1   4.538  -4.541   1.226
   13   1H5*    G   2          1H5*        G   2   7.675  -6.641  -4.869
   14   2H5*    G   2          2H5*        G   2   6.925  -5.750  -6.192
   15    H4*    G   2           H4*        G   2   6.644  -8.086  -6.685
   16    H3*    G   2           H3*        G   2   4.173  -6.618  -5.773
   17   1H2*    G   2          1H2*        G   2   2.847  -8.513  -6.216
   18   2HO*    G   2          2HO*        G   2   3.644 -10.358  -7.239
   19    H1*    G   2           H1*        G   2   4.458 -10.235  -4.889
   20    H8     G   2           H8         G   2   5.310  -7.361  -2.897
   21    H1     G   2           H1         G   2  -0.467  -9.677  -1.375
   22   1H2     G   2          1H2         G   2  -1.252 -10.945  -3.041
   23   2H2     G   2          2H2         G   2  -0.231 -11.251  -4.468
   24   1H5*    C   3          1H5*        C   3   2.516  -7.981  -8.781
   25   2H5*    C   3          2H5*        C   3   1.843  -6.774  -9.897
   26    H4*    C   3           H4*        C   3   0.041  -8.155  -9.005
   27    H3*    C   3           H3*        C   3   0.125  -5.309  -8.009
   28   1H2*    C   3          1H2*        C   3  -1.760  -5.710  -6.695
   29   2HO*    C   3          2HO*        C   3  -3.051  -6.652  -8.308
   30    H1*    C   3           H1*        C   3  -1.278  -8.405  -6.122
   31   1H4     C   3          1H4         C   3   0.063  -5.567  -0.712
   32   2H4     C   3          2H4         C   3   1.586  -4.905  -1.312
   33    H5     C   3           H5         C   3   2.239  -5.126  -3.662
   34    H6     C   3           H6         C   3   1.608  -6.185  -5.797
   35   1H5*    G   4          1H5*        G   4  -3.753  -2.782  -8.865
   36   2H5*    G   4          2H5*        G   4  -2.551  -3.351  -7.691
   37    H4*    G   4           H4*        G   4  -5.363  -4.521  -7.870
   38    H3*    G   4           H3*        G   4  -4.362  -2.208  -6.256
   39   1H2*    G   4          1H2*        G   4  -5.852  -3.015  -4.493
   40   2HO*    G   4          2HO*        G   4  -7.357  -4.558  -4.802
   41    H1*    G   4           H1*        G   4  -4.995  -5.526  -4.597
   42    H8     G   4           H8         G   4  -1.877  -3.686  -5.585
   43    H1     G   4           H1         G   4  -3.155  -3.452   0.708
   44   1H2     G   4          1H2         G   4  -5.366  -3.821   1.014
   45   2H2     G   4          2H2         G   4  -6.337  -4.387  -0.368
   46   1H5*    U   5          1H5*        U   5  -8.509  -2.373  -5.829
   47   2H5*    U   5          2H5*        U   5  -9.284  -0.789  -6.025
   48    H4*    U   5           H4*        U   5  -9.831  -1.654  -3.811
   49    H3*    U   5           H3*        U   5  -7.832   0.573  -3.791
   50   1H2*    U   5          1H2*        U   5  -8.065   0.645  -1.413
   51   2HO*    U   5          2HO*        U   5  -9.602  -0.505  -0.305
   52    H1*    U   5           H1*        U   5  -7.863  -2.089  -1.165
   53    H3     U   5           H3         U   5  -3.985  -0.326   0.419
   54    H5     U   5           H5         U   5  -3.423  -0.557  -3.733
   55    H6     U   5           H6         U   5  -5.754  -1.156  -3.988
   56   1H5*    A   6          1H5*        A   6 -10.689   1.888  -1.123
   57   2H5*    A   6          2H5*        A   6 -11.176   3.545  -1.527
   58    H4*    A   6           H4*        A   6 -10.428   3.529   0.776
   59    H3*    A   6           H3*        A   6  -8.404   4.761  -1.108
   60   1H2*    A   6          1H2*        A   6  -7.171   5.386   0.784
   61   2HO*    A   6          2HO*        A   6  -8.145   5.980   2.517
   62    H1*    A   6           H1*        A   6  -7.615   3.062   2.186
   63    H8     A   6           H8         A   6  -6.814   2.629  -1.550
   64   1H6     A   6          1H6         A   6  -0.931   2.223   0.511
   65   2H6     A   6          2H6         A   6  -1.999   1.836  -0.824
   66    H2     A   6           H2         A   6  -3.407   3.750   3.795
   67   1H5*    C   7          1H5*        C   7  -9.541   7.775   1.798
   68   2H5*    C   7          2H5*        C   7  -9.231   9.389   1.118
   69    H4*    C   7           H4*        C   7  -7.911   8.875   3.168
   70    H3*    C   7           H3*        C   7  -6.279   9.426   0.658
   71   1H2*    C   7          1H2*        C   7  -4.429   9.536   2.174
   72   2HO*    C   7          2HO*        C   7  -4.668   9.281   4.394
   73    H1*    C   7           H1*        C   7  -5.071   7.092   3.280
   74   1H4     C   7          1H4         C   7  -1.776   5.028  -1.662
   75   2H4     C   7          2H4         C   7  -3.095   5.333  -2.787
   76    H5     C   7           H5         C   7  -5.160   6.481  -2.104
   77    H6     C   7           H6         C   7  -6.320   7.477  -0.226
   78   1H5*    G   8          1H5*        G   8  -4.146  12.842  -0.341
   79   2H5*    G   8          2H5*        G   8  -4.228  11.328   0.612
   80    H4*    G   8           H4*        G   8  -3.485  13.977   1.792
   81    H3*    G   8           H3*        G   8  -1.626  11.784   0.844
   82   1H2*    G   8          1H2*        G   8  -0.109  12.678   2.560
   83   2HO*    G   8          2HO*        G   8  -0.633  14.517   3.742
   84    H1*    G   8           H1*        G   8  -2.177  12.607   4.426
   85    H8     G   8           H8         G   8  -2.505   9.903   1.958
   86    H1     G   8           H1         G   8   1.534   8.448   6.727
   87   1H2     G   8          1H2         G   8   1.921  10.369   7.953
   88   2H2     G   8          2H2         G   8   1.168  11.872   7.410
   89   1H5*    U   9          1H5*        U   9   0.160  16.290  -0.246
   90   2H5*    U   9          2H5*        U   9   1.561  15.959  -1.257
   91    H4*    U   9           H4*        U   9   2.085  17.688   0.336
   92    H3*    U   9           H3*        U   9   3.315  15.071   1.068
   93   1H2*    U   9          1H2*        U   9   4.183  15.982   3.016
   94   2HO*    U   9          2HO*        U   9   4.547  18.214   3.323
   95    H1*    U   9           H1*        U   9   2.125  17.973   3.326
   96    H3     U   9           H3         U   9   1.431  16.034   7.351
   97    H5     U   9           H5         U   9   1.648  12.738   4.778
   98    H6     U   9           H6         U   9   2.022  14.280   2.904
   99   1H5*    U  10          1H5*        U  10   4.522  13.041  -2.156
  100   2H5*    U  10          2H5*        U  10   3.179  13.442  -1.073
  101    H4*    U  10           H4*        U  10   4.468  11.070  -1.049
  102    H3*    U  10           H3*        U  10   2.619  12.197   0.642
  103   1H2*    U  10          1H2*        U  10   4.146  13.177   2.082
  104   2HO*    U  10          2HO*        U  10   4.416  11.600   3.939
  105    H1*    U  10           H1*        U  10   5.829  10.647   1.915
  106    H3     U  10           H3         U  10   8.743  12.445   4.919
  107    H5     U  10           H5         U  10   7.197  15.809   2.945
  108    H6     U  10           H6         U  10   5.924  14.295   1.502
  109   1H5*    U  11          1H5*        U  11   1.167   7.115  -0.192
  110   2H5*    U  11          2H5*        U  11   2.809   7.749  -0.345
  111    H4*    U  11           H4*        U  11   2.311   6.966  -2.471
  112    H3*    U  11           H3*        U  11   2.694   9.726  -2.132
  113   1H2*    U  11          1H2*        U  11   0.423  10.251  -2.276
  114   2HO*    U  11          2HO*        U  11   0.043  10.774  -4.674
  115    H1*    U  11           H1*        U  11   0.125   8.187  -4.472
  116    H3     U  11           H3         U  11  -4.363   8.986  -4.814
  117    H5     U  11           H5         U  11  -3.594   9.554  -0.750
  118    H6     U  11           H6         U  11  -1.188   9.074  -1.200
  119   1H5*    C  12          1H5*        C  12   4.446   8.735  -1.613
  120   2H5*    C  12          2H5*        C  12   5.778   9.894  -1.853
  121    H4*    C  12           H4*        C  12   6.456   8.209  -0.383
  122    H3*    C  12           H3*        C  12   7.891   8.954  -2.550
  123   1H2*    C  12          1H2*        C  12   7.071   7.250  -4.004
  124   2HO*    C  12          2HO*        C  12   8.607   5.289  -3.792
  125    H1*    C  12           H1*        C  12   7.351   5.199  -1.867
  126   1H4     C  12          1H4         C  12   4.380   2.096  -6.354
  127   2H4     C  12          2H4         C  12   2.927   3.115  -6.331
  128    H5     C  12           H5         C  12   2.950   5.218  -4.986
  129    H6     C  12           H6         C  12   4.323   6.515  -3.405
  130   1H5*    G  13          1H5*        G  13   8.910   6.607   2.428
  131   2H5*    G  13          2H5*        G  13   8.260   6.044   0.865
  132    H4*    G  13           H4*        G  13   6.557   7.312   3.049
  133    H3*    G  13           H3*        G  13   6.887   4.390   2.243
  134   1H2*    G  13          1H2*        G  13   4.658   4.113   3.009
  135   2HO*    G  13          2HO*        G  13   4.040   5.318   4.796
  136    H1*    G  13           H1*        G  13   3.941   6.719   2.280
  137    H8     G  13           H8         G  13   5.115   4.622  -0.697
  138    H1     G  13           H1         G  13  -1.195   5.073   0.577
  139   1H2     G  13          1H2         G  13  -1.420   5.937   2.667
  140   2H2     G  13          2H2         G  13   0.047   6.186   3.619
  141   1H5*    U  14          1H5*        U  14   5.659   5.348   6.661
  142   2H5*    U  14          2H5*        U  14   5.956   3.942   7.700
  143    H4*    U  14           H4*        U  14   3.687   4.897   8.021
  144    H3*    U  14           H3*        U  14   3.791   2.107   6.863
  145   1H2*    U  14          1H2*        U  14   1.406   2.098   6.951
  146   2HO*    U  14          2HO*        U  14   1.116   2.909   9.031
  147    H1*    U  14           H1*        U  14   1.053   4.792   6.309
  148    H3     U  14           H3         U  14  -0.977   2.711   2.848
  149    H5     U  14           H5         U  14   3.089   1.917   2.207
  150    H6     U  14           H6         U  14   3.581   2.967   4.371
  151   1H5*    A  15          1H5*        A  15   1.071  -0.848   9.670
  152   2H5*    A  15          2H5*        A  15   1.405  -0.219   8.050
  153    H4*    A  15           H4*        A  15  -0.897   0.849   9.737
  154    H3*    A  15           H3*        A  15  -0.780  -1.519   7.860
  155   1H2*    A  15          1H2*        A  15  -2.998  -0.963   7.104
  156   2HO*    A  15          2HO*        A  15  -4.243   0.628   8.076
  157    H1*    A  15           H1*        A  15  -2.421   1.687   6.750
  158    H8     A  15           H8         A  15   0.798  -0.004   5.903
  159   1H6     A  15          1H6         A  15  -1.663  -0.510   0.226
  160   2H6     A  15          2H6         A  15  -0.197  -0.558   1.189
  161    H2     A  15           H2         A  15  -4.966   0.307   3.044
  162   1H5*    C  16          1H5*        C  16  -4.543  -1.953   9.202
  163   2H5*    C  16          2H5*        C  16  -4.872  -3.616   9.728
  164    H4*    C  16           H4*        C  16  -6.379  -3.035   7.899
  165    H3*    C  16           H3*        C  16  -4.185  -4.935   7.058
  166   1H2*    C  16          1H2*        C  16  -5.381  -5.175   5.012
  167   2HO*    C  16          2HO*        C  16  -7.440  -4.831   4.808
  168    H1*    C  16           H1*        C  16  -5.869  -2.494   4.751
  169   1H4     C  16          1H4         C  16  -0.798  -3.454   1.311
  170   2H4     C  16          2H4         C  16   0.321  -3.429   2.690
  171    H5     C  16           H5         C  16  -0.567  -3.428   5.006
  172    H6     C  16           H6         C  16  -2.644  -3.202   6.313
  173   1H5*    G  17          1H5*        G  17  -8.068  -6.628   6.207
  174   2H5*    G  17          2H5*        G  17  -8.059  -8.392   6.379
  175    H4*    G  17           H4*        G  17  -8.855  -7.666   4.138
  176    H3*    G  17           H3*        G  17  -6.243  -9.173   4.250
  177   1H2*    G  17          1H2*        G  17  -6.346  -9.277   1.846
  178   2HO*    G  17          2HO*        G  17  -8.138  -8.752   0.684
  179    H1*    G  17           H1*        G  17  -7.033  -6.653   1.567
  180    H8     G  17           H8         G  17  -4.585  -6.937   4.458
  181    H1     G  17           H1         G  17  -1.865  -6.874  -1.356
  182   1H2     G  17          1H2         G  17  -3.407  -7.633  -2.873
  183   2H2     G  17          2H2         G  17  -5.064  -7.952  -2.316
  184   1H5*    C  18          1H5*        C  18  -8.501 -11.265   1.368
  185   2H5*    C  18          2H5*        C  18  -8.479 -12.988   1.778
  186    H4*    C  18           H4*        C  18  -7.701 -12.811  -0.485
  187    H3*    C  18           H3*        C  18  -5.380 -13.193   1.434
  188   1H2*    C  18          1H2*        C  18  -4.055 -13.645  -0.511
  189   2HO*    C  18          2HO*        C  18  -4.955 -13.765  -2.578
  190    H1*    C  18           H1*        C  18  -5.070 -11.453  -1.829
  191   1H4     C  18          1H4         C  18  -0.344  -8.698   0.796
  192   2H4     C  18          2H4         C  18  -1.043  -8.602   2.422
  193    H5     C  18           H5         C  18  -3.093  -9.925   2.926
  194    H6     C  18           H6         C  18  -4.925 -11.050   1.800
  195   1H5*    C  19          1H5*        C  19  -4.532 -16.010  -1.085
  196   2H5*    C  19          2H5*        C  19  -4.487 -17.574  -0.270
  197    H4*    C  19           H4*        C  19  -2.426 -17.306  -1.457
  198    H3*    C  19           H3*        C  19  -2.136 -17.015   1.547
  199   1H2*    C  19          1H2*        C  19   0.172 -16.828   1.248
  200   2HO*    C  19          2HO*        C  19   1.206 -17.516  -0.686
  201    H1*    C  19           H1*        C  19   0.114 -15.419  -1.184
  202   1H4     C  19          1H4         C  19   1.637 -11.585   3.421
  203   2H4     C  19          2H4         C  19  -0.024 -11.227   3.951
  204    H5     C  19           H5         C  19  -1.884 -12.578   2.923
  205    H6     C  19           H6         C  19  -2.342 -14.321   1.215
  206    H3T    C  19           H3T        C  19  -1.307 -19.128   1.233
   
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1   9.827  -5.543   0.445
    2   2H5*    G   1          2H5*        G   1   9.794  -5.124  -1.278
    3    H4*    G   1           H4*        G   1   8.908  -7.370  -0.947
    4    H3*    G   1           H3*        G   1   6.756  -5.407  -1.648
    5   1H2*    G   1          1H2*        G   1   5.343  -7.356  -1.895
    6   2HO*    G   1          2HO*        G   1   6.320  -9.481  -1.464
    7    H1*    G   1           H1*        G   1   6.151  -8.442   0.439
    8    H8     G   1           H8         G   1   3.453  -8.054   0.406
    9    H1     G   1           H1         G   1   4.367  -2.112   2.656
   10   1H2     G   1          1H2         G   1   6.569  -1.477   2.209
   11   2H2     G   1          2H2         G   1   7.610  -2.618   1.365
   12    H5T    G   1           H5T        G   1   9.022  -3.432   0.056
   13   1H5*    G   2          1H5*        G   2   7.414  -9.231  -4.784
   14   2H5*    G   2          2H5*        G   2   7.219  -8.299  -6.273
   15    H4*    G   2           H4*        G   2   6.096 -10.236  -6.807
   16    H3*    G   2           H3*        G   2   4.094  -8.222  -5.789
   17   1H2*    G   2          1H2*        G   2   2.341  -9.749  -6.158
   18   2HO*    G   2          2HO*        G   2   2.608 -11.694  -7.266
   19    H1*    G   2           H1*        G   2   3.557 -11.880  -5.004
   20    H8     G   2           H8         G   2   5.074  -9.169  -3.081
   21    H1     G   2           H1         G   2  -0.900 -10.410  -1.122
   22   1H2     G   2          1H2         G   2  -2.032 -11.449  -2.775
   23   2H2     G   2          2H2         G   2  -1.163 -11.891  -4.263
   24   1H5*    C   3          1H5*        C   3   2.054  -9.415  -8.759
   25   2H5*    C   3          2H5*        C   3   1.494  -8.125  -9.837
   26    H4*    C   3           H4*        C   3  -0.409  -9.323  -8.847
   27    H3*    C   3           H3*        C   3   0.007  -6.460  -8.010
   28   1H2*    C   3          1H2*        C   3  -1.867  -6.590  -6.619
   29   2HO*    C   3          2HO*        C   3  -3.304  -7.450  -8.151
   30    H1*    C   3           H1*        C   3  -1.677  -9.292  -5.930
   31   1H4     C   3          1H4         C   3   0.094  -6.452  -0.648
   32   2H4     C   3          2H4         C   3   1.696  -6.050  -1.239
   33    H5     C   3           H5         C   3   2.288  -6.456  -3.637
   34    H6     C   3           H6         C   3   1.445  -7.408  -5.751
   35   1H5*    G   4          1H5*        G   4  -3.595  -3.596  -8.938
   36   2H5*    G   4          2H5*        G   4  -2.428  -4.228  -7.758
   37    H4*    G   4           H4*        G   4  -5.358  -5.078  -7.800
   38    H3*    G   4           H3*        G   4  -4.051  -2.803  -6.358
   39   1H2*    G   4          1H2*        G   4  -5.562  -3.328  -4.510
   40   2HO*    G   4          2HO*        G   4  -7.247  -4.689  -4.682
   41    H1*    G   4           H1*        G   4  -4.994  -5.916  -4.470
   42    H8     G   4           H8         G   4  -1.697  -4.610  -5.654
   43    H1     G   4           H1         G   4  -2.809  -3.543   0.584
   44   1H2     G   4          1H2         G   4  -5.046  -3.697   0.960
   45   2H2     G   4          2H2         G   4  -6.084  -4.274  -0.368
   46   1H5*    U   5          1H5*        U   5  -8.190  -2.487  -5.889
   47   2H5*    U   5          2H5*        U   5  -8.800  -0.852  -6.217
   48    H4*    U   5           H4*        U   5  -9.430  -1.474  -3.945
   49    H3*    U   5           H3*        U   5  -7.203   0.521  -4.084
   50   1H2*    U   5          1H2*        U   5  -7.446   0.807  -1.719
   51   2HO*    U   5          2HO*        U   5  -9.104  -0.036  -0.556
   52    H1*    U   5           H1*        U   5  -7.506  -1.899  -1.259
   53    H3     U   5           H3         U   5  -3.473  -0.337   0.176
   54    H5     U   5           H5         U   5  -2.946  -1.025  -3.926
   55    H6     U   5           H6         U   5  -5.324  -1.452  -4.132
   56   1H5*    A   6          1H5*        A   6 -10.130   2.226  -1.625
   57   2H5*    A   6          2H5*        A   6 -10.446   3.913  -2.072
   58    H4*    A   6           H4*        A   6  -9.864   3.776   0.308
   59    H3*    A   6           H3*        A   6  -7.782   5.046  -1.474
   60   1H2*    A   6          1H2*        A   6  -6.517   5.536   0.459
   61   2HO*    A   6          2HO*        A   6  -7.507   6.124   2.185
   62    H1*    A   6           H1*        A   6  -7.019   3.176   1.761
   63    H8     A   6           H8         A   6  -6.260   2.724  -1.977
   64   1H6     A   6          1H6         A   6  -0.391   2.105   0.138
   65   2H6     A   6          2H6         A   6  -1.452   1.693  -1.200
   66    H2     A   6           H2         A   6  -2.816   3.819   3.341
   67   1H5*    C   7          1H5*        C   7  -8.897   8.010   1.598
   68   2H5*    C   7          2H5*        C   7  -8.571   9.639   0.968
   69    H4*    C   7           H4*        C   7  -7.248   9.073   2.993
   70    H3*    C   7           H3*        C   7  -5.568   9.566   0.505
   71   1H2*    C   7          1H2*        C   7  -3.720   9.554   2.022
   72   2HO*    C   7          2HO*        C   7  -4.516  10.473   3.892
   73    H1*    C   7           H1*        C   7  -4.461   7.175   3.091
   74   1H4     C   7          1H4         C   7  -1.352   5.083  -1.995
   75   2H4     C   7          2H4         C   7  -2.687   5.489  -3.069
   76    H5     C   7           H5         C   7  -4.643   6.705  -2.312
   77    H6     C   7           H6         C   7  -5.719   7.683  -0.382
   78   1H5*    G   8          1H5*        G   8  -5.733  13.141   3.378
   79   2H5*    G   8          2H5*        G   8  -4.916  14.604   2.794
   80    H4*    G   8           H4*        G   8  -4.039  13.686   4.977
   81    H3*    G   8           H3*        G   8  -2.032  13.616   2.681
   82   1H2*    G   8          1H2*        G   8  -0.478  12.969   4.338
   83   2HO*    G   8          2HO*        G   8  -0.914  13.135   6.592
   84    H1*    G   8           H1*        G   8  -2.500  11.520   5.834
   85    H8     G   8           H8         G   8  -2.062  10.493   2.335
   86    H1     G   8           H1         G   8   2.215   7.926   6.401
   87   1H2     G   8          1H2         G   8   2.118   9.150   8.391
   88   2H2     G   8          2H2         G   8   0.912  10.416   8.507
   89   1H5*    U   9          1H5*        U   9  -0.350  16.980   0.649
   90   2H5*    U   9          2H5*        U   9   0.347  15.451   1.198
   91    H4*    U   9           H4*        U   9   1.805  17.645   0.612
   92    H3*    U   9           H3*        U   9   2.273  15.454   2.528
   93   1H2*    U   9          1H2*        U   9   3.770  16.557   3.861
   94   2HO*    U   9          2HO*        U   9   5.174  18.227   3.090
   95    H1*    U   9           H1*        U   9   3.079  19.249   3.329
   96    H3     U   9           H3         U   9   2.186  19.590   7.726
   97    H5     U   9           H5         U   9   0.266  16.017   6.720
   98    H6     U   9           H6         U   9   1.081  16.275   4.424
   99   1H5*    U  10          1H5*        U  10   2.380  12.904  -0.565
  100   2H5*    U  10          2H5*        U  10   2.525  13.389   1.143
  101    H4*    U  10           H4*        U  10   4.053  11.112  -0.232
  102    H3*    U  10           H3*        U  10   1.465  11.315   1.258
  103   1H2*    U  10          1H2*        U  10   2.079  10.140   3.047
  104   2HO*    U  10          2HO*        U  10   2.542   8.045   2.812
  105    H1*    U  10           H1*        U  10   4.910   9.776   2.371
  106    H3     U  10           H3         U  10   5.372   9.896   6.888
  107    H5     U  10           H5         U  10   2.759  13.081   6.127
  108    H6     U  10           H6         U  10   2.908  12.541   3.722
  109   1H5*    U  11          1H5*        U  11   0.816   7.055  -2.385
  110   2H5*    U  11          2H5*        U  11   2.249   7.935  -1.820
  111    H4*    U  11           H4*        U  11   2.577   7.731  -4.115
  112    H3*    U  11           H3*        U  11   2.330  10.276  -3.016
  113   1H2*    U  11          1H2*        U  11   0.151  10.691  -3.665
  114   2HO*    U  11          2HO*        U  11   0.193  11.854  -5.768
  115    H1*    U  11           H1*        U  11   0.577   9.334  -6.325
  116    H3     U  11           H3         U  11  -3.853   9.872  -7.275
  117    H5     U  11           H5         U  11  -3.840   9.008  -3.178
  118    H6     U  11           H6         U  11  -1.385   8.848  -3.291
  119   1H5*    C  12          1H5*        C  12   4.040   9.716  -2.108
  120   2H5*    C  12          2H5*        C  12   5.322  10.892  -1.754
  121    H4*    C  12           H4*        C  12   5.780   8.844  -0.652
  122    H3*    C  12           H3*        C  12   7.624  10.082  -2.285
  123   1H2*    C  12          1H2*        C  12   7.116   8.668  -4.187
  124   2HO*    C  12          2HO*        C  12   8.787   6.840  -4.071
  125    H1*    C  12           H1*        C  12   7.078   6.348  -2.295
  126   1H4     C  12          1H4         C  12   4.835   3.270  -7.219
  127   2H4     C  12          2H4         C  12   3.764   4.558  -7.807
  128    H5     C  12           H5         C  12   3.801   6.766  -6.650
  129    H6     C  12           H6         C  12   4.808   7.973  -4.766
  130   1H5*    G  13          1H5*        G  13   9.324   6.442   2.146
  131   2H5*    G  13          2H5*        G  13   8.963   6.395   0.418
  132    H4*    G  13           H4*        G  13   6.941   7.604   2.285
  133    H3*    G  13           H3*        G  13   7.499   4.645   1.892
  134   1H2*    G  13          1H2*        G  13   5.237   4.244   1.970
  135   2HO*    G  13          2HO*        G  13   3.739   5.795   2.951
  136    H1*    G  13           H1*        G  13   4.672   7.048   1.444
  137    H8     G  13           H8         G  13   5.472   5.128  -1.672
  138    H1     G  13           H1         G  13  -0.663   5.055   0.294
  139   1H2     G  13          1H2         G  13  -0.737   5.976   2.355
  140   2H2     G  13          2H2         G  13   0.810   6.349   3.139
  141   1H5*    U  14          1H5*        U  14   5.660   6.014   6.018
  142   2H5*    U  14          2H5*        U  14   6.144   4.858   7.276
  143    H4*    U  14           H4*        U  14   3.848   5.470   7.648
  144    H3*    U  14           H3*        U  14   4.124   2.672   6.541
  145   1H2*    U  14          1H2*        U  14   1.775   2.456   6.623
  146   2HO*    U  14          2HO*        U  14   1.398   3.290   8.684
  147    H1*    U  14           H1*        U  14   1.140   5.037   5.889
  148    H3     U  14           H3         U  14  -0.504   2.628   2.480
  149    H5     U  14           H5         U  14   3.621   2.374   1.886
  150    H6     U  14           H6         U  14   3.949   3.604   3.984
  151   1H5*    A  15          1H5*        A  15   1.587  -0.383   9.441
  152   2H5*    A  15          2H5*        A  15   1.900   0.210   7.802
  153    H4*    A  15           H4*        A  15  -0.468   1.214   9.438
  154    H3*    A  15           H3*        A  15  -0.221  -1.217   7.661
  155   1H2*    A  15          1H2*        A  15  -2.450  -0.798   6.869
  156   2HO*    A  15          2HO*        A  15  -3.784   0.761   7.753
  157    H1*    A  15           H1*        A  15  -2.006   1.854   6.400
  158    H8     A  15           H8         A  15   1.298   0.256   5.662
  159   1H6     A  15          1H6         A  15  -1.115  -0.712   0.007
  160   2H6     A  15          2H6         A  15   0.341  -0.810   0.995
  161    H2     A  15           H2         A  15  -4.421   0.379   2.702
  162   1H5*    C  16          1H5*        C  16  -4.012  -1.619   9.072
  163   2H5*    C  16          2H5*        C  16  -4.354  -3.268   9.626
  164    H4*    C  16           H4*        C  16  -5.880  -2.644   7.805
  165    H3*    C  16           H3*        C  16  -3.807  -4.700   7.040
  166   1H2*    C  16          1H2*        C  16  -5.007  -4.944   4.997
  167   2HO*    C  16          2HO*        C  16  -7.067  -4.669   4.894
  168    H1*    C  16           H1*        C  16  -5.405  -2.271   4.635
  169   1H4     C  16          1H4         C  16  -0.459  -3.724   1.134
  170   2H4     C  16          2H4         C  16   0.708  -3.671   2.469
  171    H5     C  16           H5         C  16  -0.133  -3.438   4.807
  172    H6     C  16           H6         C  16  -2.170  -3.031   6.158
  173   1H5*    G  17          1H5*        G  17  -7.924  -6.102   6.446
  174   2H5*    G  17          2H5*        G  17  -8.063  -7.854   6.679
  175    H4*    G  17           H4*        G  17  -8.917  -7.119   4.453
  176    H3*    G  17           H3*        G  17  -6.458  -8.870   4.496
  177   1H2*    G  17          1H2*        G  17  -6.688  -9.042   2.105
  178   2HO*    G  17          2HO*        G  17  -8.480  -8.405   1.010
  179    H1*    G  17           H1*        G  17  -7.126  -6.369   1.762
  180    H8     G  17           H8         G  17  -4.593  -6.837   4.552
  181    H1     G  17           H1         G  17  -2.062  -7.352  -1.289
  182   1H2     G  17          1H2         G  17  -3.705  -8.013  -2.735
  183   2H2     G  17          2H2         G  17  -5.384  -8.090  -2.150
  184   1H5*    C  18          1H5*        C  18  -9.049 -10.941   1.889
  185   2H5*    C  18          2H5*        C  18  -9.137 -12.634   2.411
  186    H4*    C  18           H4*        C  18  -8.463 -12.668   0.113
  187    H3*    C  18           H3*        C  18  -6.047 -13.056   1.909
  188   1H2*    C  18          1H2*        C  18  -4.898 -13.708  -0.106
  189   2HO*    C  18          2HO*        C  18  -5.919 -13.920  -2.065
  190    H1*    C  18           H1*        C  18  -5.835 -11.510  -1.449
  191   1H4     C  18          1H4         C  18  -0.621  -9.223   0.911
  192   2H4     C  18          2H4         C  18  -1.341  -8.848   2.482
  193    H5     C  18           H5         C  18  -3.491  -9.917   3.126
  194    H6     C  18           H6         C  18  -5.485 -10.916   2.139
  195   1H5*    C  19          1H5*        C  19  -5.877 -16.134  -0.642
  196   2H5*    C  19          2H5*        C  19  -5.472 -17.637   0.177
  197    H4*    C  19           H4*        C  19  -3.919 -17.227  -1.632
  198    H3*    C  19           H3*        C  19  -2.683 -16.997   1.126
  199   1H2*    C  19          1H2*        C  19  -0.597 -16.731   0.024
  200   2HO*    C  19          2HO*        C  19  -0.327 -17.351  -2.179
  201    H1*    C  19           H1*        C  19  -1.587 -15.295  -2.204
  202   1H4     C  19          1H4         C  19   1.342 -11.264   1.426
  203   2H4     C  19          2H4         C  19   0.132 -11.219   2.698
  204    H5     C  19           H5         C  19  -1.758 -12.826   2.620
  205    H6     C  19           H6         C  19  -2.857 -14.474   1.117
  206    H3T    C  19           H3T        C  19  -1.943 -19.068   0.481
   
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1   9.180  -0.710   0.118
    2   2H5*    G   1          2H5*        G   1   8.743  -0.427  -1.577
    3    H4*    G   1           H4*        G   1   8.912  -2.806  -1.216
    4    H3*    G   1           H3*        G   1   6.072  -1.899  -1.454
    5   1H2*    G   1          1H2*        G   1   5.478  -4.220  -1.501
    6   2HO*    G   1          2HO*        G   1   7.215  -5.834  -1.412
    7    H1*    G   1           H1*        G   1   7.071  -4.902   0.561
    8    H8     G   1           H8         G   1   5.310  -1.437   0.776
    9    H1     G   1           H1         G   1   2.119  -6.404   3.324
   10   1H2     G   1          1H2         G   1   3.406  -8.337   3.029
   11   2H2     G   1          2H2         G   1   4.918  -8.146   2.138
   12    H5T    G   1           H5T        G   1   7.523   0.866  -0.125
   13   1H5*    G   2          1H5*        G   2   7.669  -5.236  -4.469
   14   2H5*    G   2          2H5*        G   2   7.138  -4.514  -5.987
   15    H4*    G   2           H4*        G   2   6.827  -6.771  -6.392
   16    H3*    G   2           H3*        G   2   4.230  -5.510  -5.527
   17   1H2*    G   2          1H2*        G   2   3.103  -7.557  -5.725
   18   2HO*    G   2          2HO*        G   2   3.961  -9.356  -6.735
   19    H1*    G   2           H1*        G   2   4.995  -9.077  -4.487
   20    H8     G   2           H8         G   2   5.446  -5.925  -2.675
   21    H1     G   2           H1         G   2   0.272  -9.181  -0.698
   22   1H2     G   2          1H2         G   2  -0.418 -10.540  -2.376
   23   2H2     G   2          2H2         G   2   0.602 -10.696  -3.825
   24   1H5*    C   3          1H5*        C   3   2.827  -7.488  -8.561
   25   2H5*    C   3          2H5*        C   3   1.933  -6.493  -9.729
   26    H4*    C   3           H4*        C   3   0.438  -8.172  -8.791
   27    H3*    C   3           H3*        C   3  -0.073  -5.342  -7.864
   28   1H2*    C   3          1H2*        C   3  -1.922  -6.130  -6.602
   29   2HO*    C   3          2HO*        C   3  -2.604  -7.528  -8.430
   30    H1*    C   3           H1*        C   3  -0.811  -8.557  -5.846
   31   1H4     C   3          1H4         C   3   0.083  -5.323  -0.603
   32   2H4     C   3          2H4         C   3   1.425  -4.383  -1.258
   33    H5     C   3           H5         C   3   2.055  -4.563  -3.641
   34    H6     C   3           H6         C   3   1.511  -5.714  -5.744
   35   1H5*    G   4          1H5*        G   4  -3.755  -3.060  -8.880
   36   2H5*    G   4          2H5*        G   4  -2.578  -3.587  -7.658
   37    H4*    G   4           H4*        G   4  -5.437  -4.653  -7.808
   38    H3*    G   4           H3*        G   4  -4.309  -2.344  -6.269
   39   1H2*    G   4          1H2*        G   4  -5.884  -2.975  -4.516
   40   2HO*    G   4          2HO*        G   4  -7.506  -4.388  -4.804
   41    H1*    G   4           H1*        G   4  -5.207  -5.546  -4.511
   42    H8     G   4           H8         G   4  -1.985  -3.886  -5.506
   43    H1     G   4           H1         G   4  -3.344  -3.306   0.748
   44   1H2     G   4          1H2         G   4  -5.543  -3.673   1.066
   45   2H2     G   4          2H2         G   4  -6.516  -4.280  -0.296
   46   1H5*    U   5          1H5*        U   5  -8.470  -2.164  -5.961
   47   2H5*    U   5          2H5*        U   5  -9.108  -0.531  -6.236
   48    H4*    U   5           H4*        U   5  -9.793  -1.273  -4.017
   49    H3*    U   5           H3*        U   5  -7.621   0.785  -3.983
   50   1H2*    U   5          1H2*        U   5  -7.938   0.939  -1.614
   51   2HO*    U   5          2HO*        U   5  -9.606  -0.029  -0.545
   52    H1*    U   5           H1*        U   5  -7.953  -1.793  -1.293
   53    H3     U   5           H3         U   5  -4.012  -0.188   0.354
   54    H5     U   5           H5         U   5  -3.352  -0.600  -3.772
   55    H6     U   5           H6         U   5  -5.694  -1.115  -4.068
   56   1H5*    A   6          1H5*        A   6 -10.591   2.351  -1.454
   57   2H5*    A   6          2H5*        A   6 -10.932   4.033  -1.908
   58    H4*    A   6           H4*        A   6 -10.380   3.975   0.457
   59    H3*    A   6           H3*        A   6  -8.196   5.112  -1.294
   60   1H2*    A   6          1H2*        A   6  -6.995   5.636   0.656
   61   2HO*    A   6          2HO*        A   6  -8.088   6.389   2.261
   62    H1*    A   6           H1*        A   6  -7.616   3.337   2.028
   63    H8     A   6           H8         A   6  -6.740   2.877  -1.691
   64   1H6     A   6          1H6         A   6  -0.935   2.238   0.515
   65   2H6     A   6          2H6         A   6  -1.980   1.884  -0.846
   66    H2     A   6           H2         A   6  -3.443   3.826   3.751
   67   1H5*    C   7          1H5*        C   7  -9.305   8.439   1.453
   68   2H5*    C   7          2H5*        C   7  -8.785   9.956   0.689
   69    H4*    C   7           H4*        C   7  -7.640   9.402   2.850
   70    H3*    C   7           H3*        C   7  -5.739   9.571   0.483
   71   1H2*    C   7          1H2*        C   7  -4.047   9.554   2.206
   72   2HO*    C   7          2HO*        C   7  -4.552   9.423   4.363
   73    H1*    C   7           H1*        C   7  -5.054   7.199   3.154
   74   1H4     C   7          1H4         C   7  -1.699   4.914  -1.702
   75   2H4     C   7          2H4         C   7  -2.923   5.403  -2.861
   76    H5     C   7           H5         C   7  -4.881   6.711  -2.255
   77    H6     C   7           H6         C   7  -6.052   7.745  -0.419
   78   1H5*    G   8          1H5*        G   8  -5.105  13.636   2.801
   79   2H5*    G   8          2H5*        G   8  -3.993  14.615   1.827
   80    H4*    G   8           H4*        G   8  -3.212  14.120   4.145
   81    H3*    G   8           H3*        G   8  -1.424  12.757   2.073
   82   1H2*    G   8          1H2*        G   8  -0.023  12.406   3.990
   83   2HO*    G   8          2HO*        G   8  -0.452  13.357   6.016
   84    H1*    G   8           H1*        G   8  -2.334  11.882   5.642
   85    H8     G   8           H8         G   8  -2.228  10.090   2.437
   86    H1     G   8           H1         G   8   1.615   7.576   6.911
   87   1H2     G   8          1H2         G   8   1.563   8.967   8.772
   88   2H2     G   8          2H2         G   8   0.620  10.450   8.659
   89   1H5*    U   9          1H5*        U   9   1.263  15.033  -0.775
   90   2H5*    U   9          2H5*        U   9   1.797  13.744   0.309
   91    H4*    U   9           H4*        U   9   3.431  15.571  -0.857
   92    H3*    U   9           H3*        U   9   3.728  14.013   1.597
   93   1H2*    U   9          1H2*        U   9   5.187  15.379   2.717
   94   2HO*    U   9          2HO*        U   9   6.644  16.820   1.635
   95    H1*    U   9           H1*        U   9   4.553  17.860   1.616
   96    H3     U   9           H3         U   9   2.962  19.151   5.597
   97    H5     U   9           H5         U   9   1.393  15.299   5.270
   98    H6     U   9           H6         U   9   2.464  15.070   3.101
   99   1H5*    U  10          1H5*        U  10   3.930  11.401  -0.955
  100   2H5*    U  10          2H5*        U  10   3.845  12.032   0.675
  101    H4*    U  10           H4*        U  10   4.080   9.119  -0.131
  102    H3*    U  10           H3*        U  10   1.992  10.943   0.274
  103   1H2*    U  10          1H2*        U  10   2.723  11.598   2.359
  104   2HO*    U  10          2HO*        U  10   0.802   9.591   2.894
  105    H1*    U  10           H1*        U  10   3.133   8.683   3.119
  106    H3     U  10           H3         U  10   4.699   9.728   7.277
  107    H5     U  10           H5         U  10   5.728  13.094   5.033
  108    H6     U  10           H6         U  10   4.715  11.986   3.037
  109   1H5*    U  11          1H5*        U  11   0.369   7.071  -2.077
  110   2H5*    U  11          2H5*        U  11   1.969   7.638  -1.581
  111    H4*    U  11           H4*        U  11   2.119   7.364  -3.893
  112    H3*    U  11           H3*        U  11   2.477   9.945  -2.892
  113   1H2*    U  11          1H2*        U  11   0.350  10.723  -3.427
  114   2HO*    U  11          2HO*        U  11   0.536  11.832  -5.571
  115    H1*    U  11           H1*        U  11   0.400   9.279  -6.069
  116    H3     U  11           H3         U  11  -3.894  10.559  -6.898
  117    H5     U  11           H5         U  11  -3.873   9.853  -2.769
  118    H6     U  11           H6         U  11  -1.478   9.286  -2.950
  119   1H5*    C  12          1H5*        C  12   3.901   8.639  -2.251
  120   2H5*    C  12          2H5*        C  12   5.549   9.037  -1.772
  121    H4*    C  12           H4*        C  12   4.951   6.852  -1.011
  122    H3*    C  12           H3*        C  12   7.242   7.330  -2.390
  123   1H2*    C  12          1H2*        C  12   6.494   6.515  -4.474
  124   2HO*    C  12          2HO*        C  12   6.827   3.985  -4.447
  125    H1*    C  12           H1*        C  12   4.989   4.308  -3.066
  126   1H4     C  12          1H4         C  12   3.182   3.370  -8.911
  127   2H4     C  12          2H4         C  12   2.465   4.977  -9.138
  128    H5     C  12           H5         C  12   2.842   6.714  -7.388
  129    H6     C  12           H6         C  12   3.846   7.072  -5.145
  130   1H5*    G  13          1H5*        G  13   8.402   7.074   0.838
  131   2H5*    G  13          2H5*        G  13   9.046   6.144   2.197
  132    H4*    G  13           H4*        G  13   6.853   7.012   2.787
  133    H3*    G  13           H3*        G  13   6.781   4.026   2.192
  134   1H2*    G  13          1H2*        G  13   4.576   4.055   2.996
  135   2HO*    G  13          2HO*        G  13   3.901   5.535   4.536
  136    H1*    G  13           H1*        G  13   4.056   6.633   2.107
  137    H8     G  13           H8         G  13   5.187   4.213  -0.685
  138    H1     G  13           H1         G  13  -1.118   5.019   0.415
  139   1H2     G  13          1H2         G  13  -1.367   5.889   2.495
  140   2H2     G  13          2H2         G  13   0.121   6.129   3.431
  141   1H5*    U  14          1H5*        U  14   5.625   5.287   6.543
  142   2H5*    U  14          2H5*        U  14   5.927   3.931   7.644
  143    H4*    U  14           H4*        U  14   3.704   4.896   8.022
  144    H3*    U  14           H3*        U  14   3.690   2.107   6.856
  145   1H2*    U  14          1H2*        U  14   1.305   2.155   6.975
  146   2HO*    U  14          2HO*        U  14   1.065   2.956   9.061
  147    H1*    U  14           H1*        U  14   0.994   4.825   6.331
  148    H3     U  14           H3         U  14  -0.999   2.788   2.835
  149    H5     U  14           H5         U  14   3.062   1.949   2.247
  150    H6     U  14           H6         U  14   3.537   3.008   4.413
  151   1H5*    A  15          1H5*        A  15   0.951  -0.805   9.639
  152   2H5*    A  15          2H5*        A  15   1.287  -0.165   8.024
  153    H4*    A  15           H4*        A  15  -1.000   0.903   9.734
  154    H3*    A  15           H3*        A  15  -0.902  -1.449   7.840
  155   1H2*    A  15          1H2*        A  15  -3.118  -0.887   7.087
  156   2HO*    A  15          2HO*        A  15  -4.372   0.674   8.075
  157    H1*    A  15           H1*        A  15  -2.538   1.769   6.748
  158    H8     A  15           H8         A  15   0.677   0.061   5.915
  159   1H6     A  15          1H6         A  15  -1.694  -0.456   0.218
  160   2H6     A  15          2H6         A  15  -0.266  -0.559   1.237
  161    H2     A  15           H2         A  15  -5.046   0.492   2.979
  162   1H5*    C  16          1H5*        C  16  -4.643  -1.920   9.269
  163   2H5*    C  16          2H5*        C  16  -4.944  -3.586   9.805
  164    H4*    C  16           H4*        C  16  -6.509  -3.043   8.027
  165    H3*    C  16           H3*        C  16  -4.290  -4.857   7.062
  166   1H2*    C  16          1H2*        C  16  -5.613  -5.119   5.068
  167   2HO*    C  16          2HO*        C  16  -7.682  -4.530   4.901
  168    H1*    C  16           H1*        C  16  -6.091  -2.428   4.863
  169   1H4     C  16          1H4         C  16  -0.995  -3.333   1.346
  170   2H4     C  16          2H4         C  16   0.090  -3.513   2.752
  171    H5     C  16           H5         C  16  -0.774  -3.396   5.019
  172    H6     C  16           H6         C  16  -2.830  -3.191   6.361
  173   1H5*    G  17          1H5*        G  17  -8.006  -6.826   6.241
  174   2H5*    G  17          2H5*        G  17  -7.833  -8.577   6.487
  175    H4*    G  17           H4*        G  17  -8.660  -8.048   4.219
  176    H3*    G  17           H3*        G  17  -5.875  -9.200   4.390
  177   1H2*    G  17          1H2*        G  17  -5.954  -9.410   1.996
  178   2HO*    G  17          2HO*        G  17  -7.805  -9.179   0.819
  179    H1*    G  17           H1*        G  17  -7.002  -6.909   1.622
  180    H8     G  17           H8         G  17  -4.537  -6.769   4.505
  181    H1     G  17           H1         G  17  -1.737  -6.802  -1.237
  182   1H2     G  17          1H2         G  17  -3.185  -7.765  -2.742
  183   2H2     G  17          2H2         G  17  -4.850  -8.126  -2.229
  184   1H5*    C  18          1H5*        C  18  -7.632 -11.879   1.724
  185   2H5*    C  18          2H5*        C  18  -7.298 -13.533   2.277
  186    H4*    C  18           H4*        C  18  -6.448 -13.364   0.041
  187    H3*    C  18           H3*        C  18  -4.173 -13.102   2.030
  188   1H2*    C  18          1H2*        C  18  -2.726 -13.393   0.116
  189   2HO*    C  18          2HO*        C  18  -3.511 -13.829  -1.925
  190    H1*    C  18           H1*        C  18  -4.127 -11.517  -1.318
  191   1H4     C  18          1H4         C  18  -0.024  -7.921   1.306
  192   2H4     C  18          2H4         C  18  -0.872  -7.793   2.845
  193    H5     C  18           H5         C  18  -2.622  -9.427   3.411
  194    H6     C  18           H6         C  18  -4.232 -10.878   2.277
  195   1H5*    C  19          1H5*        C  19  -2.943 -15.975  -0.519
  196   2H5*    C  19          2H5*        C  19  -2.258 -17.339   0.354
  197    H4*    C  19           H4*        C  19  -0.691 -16.566  -1.308
  198    H3*    C  19           H3*        C  19   0.192 -16.001   1.536
  199   1H2*    C  19          1H2*        C  19   2.237 -15.243   0.607
  200   2HO*    C  19          2HO*        C  19   2.865 -15.827  -1.532
  201    H1*    C  19           H1*        C  19   1.128 -14.171  -1.776
  202   1H4     C  19          1H4         C  19   2.445  -9.312   1.511
  203   2H4     C  19          2H4         C  19   1.069  -9.427   2.570
  204    H5     C  19           H5         C  19  -0.054 -11.610   2.846
  205    H6     C  19           H6         C  19  -0.559 -13.565   1.394
  206    H3T    C  19           H3T        C  19   1.469 -17.838   1.035
   
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1   9.287  -2.570   0.664
    2   2H5*    G   1          2H5*        G   1   9.360  -2.103  -1.046
    3    H4*    G   1           H4*        G   1   9.143  -4.491  -0.949
    4    H3*    G   1           H3*        G   1   6.579  -3.166  -1.722
    5   1H2*    G   1          1H2*        G   1   5.695  -5.355  -2.108
    6   2HO*    G   1          2HO*        G   1   7.106  -7.227  -1.547
    7    H1*    G   1           H1*        G   1   6.399  -6.265   0.322
    8    H8     G   1           H8         G   1   3.805  -5.018  -1.250
    9    H1     G   1           H1         G   1   3.664  -2.182   4.500
   10   1H2     G   1          1H2         G   1   5.821  -2.278   5.432
   11   2H2     G   1          2H2         G   1   7.061  -3.073   4.456
   12    H5T    G   1           H5T        G   1   7.954  -0.761   0.171
   13   1H5*    G   2          1H5*        G   2   7.877  -6.745  -4.857
   14   2H5*    G   2          2H5*        G   2   7.610  -5.789  -6.316
   15    H4*    G   2           H4*        G   2   6.658  -7.750  -6.970
   16    H3*    G   2           H3*        G   2   4.465  -6.071  -5.756
   17   1H2*    G   2          1H2*        G   2   2.899  -7.755  -6.222
   18   2HO*    G   2          2HO*        G   2   3.325  -9.522  -7.529
   19    H1*    G   2           H1*        G   2   4.395  -9.826  -5.308
   20    H8     G   2           H8         G   2   5.570  -7.103  -3.172
   21    H1     G   2           H1         G   2  -0.080  -9.480  -1.236
   22   1H2     G   2          1H2         G   2  -0.990 -10.680  -2.924
   23   2H2     G   2          2H2         G   2  -0.102 -10.813  -4.459
   24   1H5*    C   3          1H5*        C   3   2.610  -7.253  -8.915
   25   2H5*    C   3          2H5*        C   3   1.837  -5.960  -9.848
   26    H4*    C   3           H4*        C   3   0.175  -7.571  -9.015
   27    H3*    C   3           H3*        C   3   0.087  -4.785  -7.881
   28   1H2*    C   3          1H2*        C   3  -1.755  -5.394  -6.556
   29   2HO*    C   3          2HO*        C   3  -2.984  -6.350  -8.215
   30    H1*    C   3           H1*        C   3  -1.067  -8.065  -6.128
   31   1H4     C   3          1H4         C   3   0.119  -5.429  -0.592
   32   2H4     C   3          2H4         C   3   1.563  -4.573  -1.068
   33    H5     C   3           H5         C   3   2.279  -4.709  -3.529
   34    H6     C   3           H6         C   3   1.647  -5.645  -5.727
   35   1H5*    G   4          1H5*        G   4  -4.052  -2.573  -8.656
   36   2H5*    G   4          2H5*        G   4  -2.799  -3.063  -7.501
   37    H4*    G   4           H4*        G   4  -5.480  -4.498  -7.720
   38    H3*    G   4           H3*        G   4  -4.742  -2.109  -6.104
   39   1H2*    G   4          1H2*        G   4  -6.059  -3.078  -4.294
   40   2HO*    G   4          2HO*        G   4  -7.332  -4.867  -4.556
   41    H1*    G   4           H1*        G   4  -4.964  -5.489  -4.432
   42    H8     G   4           H8         G   4  -1.979  -3.522  -5.490
   43    H1     G   4           H1         G   4  -3.216  -3.288   0.807
   44   1H2     G   4          1H2         G   4  -5.420  -3.720   1.128
   45   2H2     G   4          2H2         G   4  -6.389  -4.277  -0.260
   46   1H5*    U   5          1H5*        U   5  -8.757  -2.821  -5.396
   47   2H5*    U   5          2H5*        U   5  -9.732  -1.373  -5.695
   48    H4*    U   5           H4*        U   5 -10.084  -2.069  -3.391
   49    H3*    U   5           H3*        U   5  -8.457   0.402  -3.813
   50   1H2*    U   5          1H2*        U   5  -8.287   0.756  -1.509
   51   2HO*    U   5          2HO*        U   5 -10.508   0.379  -1.024
   52    H1*    U   5           H1*        U   5  -8.106  -1.927  -0.803
   53    H3     U   5           H3         U   5  -4.150  -0.194   0.528
   54    H5     U   5           H5         U   5  -3.744  -0.514  -3.635
   55    H6     U   5           H6         U   5  -6.105  -1.161  -3.785
   56   1H5*    A   6          1H5*        A   6 -10.232   4.332  -2.301
   57   2H5*    A   6          2H5*        A   6  -8.840   3.235  -2.356
   58    H4*    A   6           H4*        A   6 -10.487   3.685   0.176
   59    H3*    A   6           H3*        A   6  -8.120   5.139  -0.997
   60   1H2*    A   6          1H2*        A   6  -7.196   5.405   1.167
   61   2HO*    A   6          2HO*        A   6  -8.321   5.228   3.007
   62    H1*    A   6           H1*        A   6  -7.736   2.860   2.006
   63    H8     A   6           H8         A   6  -6.767   2.675  -1.641
   64   1H6     A   6          1H6         A   6  -0.954   2.336   0.554
   65   2H6     A   6          2H6         A   6  -1.996   2.007  -0.825
   66    H2     A   6           H2         A   6  -3.519   3.667   3.834
   67   1H5*    C   7          1H5*        C   7  -9.251   7.593   2.179
   68   2H5*    C   7          2H5*        C   7  -9.009   9.301   1.757
   69    H4*    C   7           H4*        C   7  -7.634   8.574   3.678
   70    H3*    C   7           H3*        C   7  -6.077   9.472   1.227
   71   1H2*    C   7          1H2*        C   7  -4.190   9.406   2.609
   72   2HO*    C   7          2HO*        C   7  -4.296   8.947   4.834
   73    H1*    C   7           H1*        C   7  -4.771   6.891   3.582
   74   1H4     C   7          1H4         C   7  -1.640   5.115  -1.535
   75   2H4     C   7          2H4         C   7  -2.995   5.464  -2.611
   76    H5     C   7           H5         C   7  -5.011   6.619  -1.802
   77    H6     C   7           H6         C   7  -6.096   7.516   0.196
   78   1H5*    G   8          1H5*        G   8  -4.324  14.087   1.363
   79   2H5*    G   8          2H5*        G   8  -4.067  12.318   1.294
   80    H4*    G   8           H4*        G   8  -3.791  13.902   3.815
   81    H3*    G   8           H3*        G   8  -1.638  13.203   1.798
   82   1H2*    G   8          1H2*        G   8  -0.186  12.724   3.507
   83   2HO*    G   8          2HO*        G   8  -0.394  13.499   5.644
   84    H1*    G   8           H1*        G   8  -2.319  12.112   5.430
   85    H8     G   8           H8         G   8  -2.285   9.851   2.577
   86    H1     G   8           H1         G   8   2.523   8.545   6.633
   87   1H2     G   8          1H2         G   8   2.824  10.441   8.018
   88   2H2     G   8          2H2         G   8   1.621  11.707   7.898
   89   1H5*    U   9          1H5*        U   9   0.430  15.768  -0.666
   90   2H5*    U   9          2H5*        U   9   1.058  14.472   0.365
   91    H4*    U   9           H4*        U   9   2.602  16.392  -0.677
   92    H3*    U   9           H3*        U   9   2.828  14.950   1.869
   93   1H2*    U   9          1H2*        U   9   4.197  16.482   2.944
   94   2HO*    U   9          2HO*        U   9   5.586  17.932   1.820
   95    H1*    U   9           H1*        U   9   3.431  18.848   1.690
   96    H3     U   9           H3         U   9   1.640  20.267   5.544
   97    H5     U   9           H5         U   9   0.359  16.297   5.421
   98    H6     U   9           H6         U   9   1.505  16.022   3.292
   99   1H5*    U  10          1H5*        U  10   5.741  11.567  -0.631
  100   2H5*    U  10          2H5*        U  10   4.121  12.115  -1.124
  101    H4*    U  10           H4*        U  10   4.345   9.605  -0.624
  102    H3*    U  10           H3*        U  10   2.192  11.289  -0.208
  103   1H2*    U  10          1H2*        U  10   2.775  11.919   1.863
  104   2HO*    U  10          2HO*        U  10   1.033   9.762   2.455
  105    H1*    U  10           H1*        U  10   3.315   9.000   2.559
  106    H3     U  10           H3         U  10   5.402   9.328   6.507
  107    H5     U  10           H5         U  10   4.502  13.298   5.518
  108    H6     U  10           H6         U  10   3.955  12.545   3.247
  109   1H5*    U  11          1H5*        U  11   0.589   6.839  -2.270
  110   2H5*    U  11          2H5*        U  11   2.176   7.384  -1.696
  111    H4*    U  11           H4*        U  11   2.489   6.844  -3.971
  112    H3*    U  11           H3*        U  11   2.978   9.431  -3.119
  113   1H2*    U  11          1H2*        U  11   0.997  10.387  -3.868
  114   2HO*    U  11          2HO*        U  11   1.416  11.322  -6.052
  115    H1*    U  11           H1*        U  11   1.148   8.720  -6.401
  116    H3     U  11           H3         U  11  -2.925  10.214  -7.790
  117    H5     U  11           H5         U  11  -3.351   9.945  -3.631
  118    H6     U  11           H6         U  11  -1.013   9.180  -3.510
  119   1H5*    C  12          1H5*        C  12   4.373   8.109  -2.399
  120   2H5*    C  12          2H5*        C  12   5.848   8.926  -1.838
  121    H4*    C  12           H4*        C  12   5.764   6.766  -0.910
  122    H3*    C  12           H3*        C  12   7.867   7.754  -2.283
  123   1H2*    C  12          1H2*        C  12   7.458   6.583  -4.311
  124   2HO*    C  12          2HO*        C  12   8.511   4.302  -4.110
  125    H1*    C  12           H1*        C  12   6.601   4.160  -2.784
  126   1H4     C  12          1H4         C  12   4.967   2.361  -8.440
  127   2H4     C  12          2H4         C  12   3.761   3.640  -8.691
  128    H5     C  12           H5         C  12   3.672   5.536  -7.062
  129    H6     C  12           H6         C  12   4.624   6.341  -4.921
  130   1H5*    G  13          1H5*        G  13   9.309   5.478   2.804
  131   2H5*    G  13          2H5*        G  13   8.848   4.482   1.421
  132    H4*    G  13           H4*        G  13   7.123   6.678   2.693
  133    H3*    G  13           H3*        G  13   7.080   3.634   2.715
  134   1H2*    G  13          1H2*        G  13   4.810   3.648   2.739
  135   2HO*    G  13          2HO*        G  13   3.600   5.540   3.636
  136    H1*    G  13           H1*        G  13   4.764   6.485   2.005
  137    H8     G  13           H8         G  13   5.250   4.214  -0.934
  138    H1     G  13           H1         G  13  -0.888   5.261   0.755
  139   1H2     G  13          1H2         G  13  -0.915   6.144   2.839
  140   2H2     G  13          2H2         G  13   0.649   6.414   3.639
  141   1H5*    U  14          1H5*        U  14   5.313   5.540   6.634
  142   2H5*    U  14          2H5*        U  14   5.665   4.421   7.968
  143    H4*    U  14           H4*        U  14   3.398   5.132   8.230
  144    H3*    U  14           H3*        U  14   3.540   2.339   7.072
  145   1H2*    U  14          1H2*        U  14   1.167   2.282   7.116
  146   2HO*    U  14          2HO*        U  14   0.846   3.067   9.205
  147    H1*    U  14           H1*        U  14   0.761   4.947   6.460
  148    H3     U  14           H3         U  14  -1.080   2.852   2.918
  149    H5     U  14           H5         U  14   3.008   2.148   2.402
  150    H6     U  14           H6         U  14   3.425   3.251   4.562
  151   1H5*    A  15          1H5*        A  15   0.917  -0.699   9.786
  152   2H5*    A  15          2H5*        A  15   1.248  -0.023   8.182
  153    H4*    A  15           H4*        A  15  -1.107   0.934   9.862
  154    H3*    A  15           H3*        A  15  -0.880  -1.397   7.950
  155   1H2*    A  15          1H2*        A  15  -3.118  -0.924   7.209
  156   2HO*    A  15          2HO*        A  15  -4.434   0.579   8.208
  157    H1*    A  15           H1*        A  15  -2.654   1.756   6.908
  158    H8     A  15           H8         A  15   0.618   0.201   6.014
  159   1H6     A  15          1H6         A  15  -1.831  -0.354   0.324
  160   2H6     A  15          2H6         A  15  -0.362  -0.393   1.290
  161    H2     A  15           H2         A  15  -5.153   0.326   3.160
  162   1H5*    C  16          1H5*        C  16  -4.586  -2.017   9.327
  163   2H5*    C  16          2H5*        C  16  -4.850  -3.701   9.821
  164    H4*    C  16           H4*        C  16  -6.397  -3.145   8.023
  165    H3*    C  16           H3*        C  16  -4.133  -4.922   7.099
  166   1H2*    C  16          1H2*        C  16  -5.369  -5.166   5.066
  167   2HO*    C  16          2HO*        C  16  -7.443  -4.811   4.881
  168    H1*    C  16           H1*        C  16  -5.940  -2.504   4.877
  169   1H4     C  16          1H4         C  16  -0.864  -3.220   1.370
  170   2H4     C  16          2H4         C  16   0.271  -3.063   2.718
  171    H5     C  16           H5         C  16  -0.596  -3.218   5.059
  172    H6     C  16           H6         C  16  -2.676  -3.118   6.401
  173   1H5*    G  17          1H5*        G  17  -7.948  -6.761   6.263
  174   2H5*    G  17          2H5*        G  17  -7.856  -8.525   6.413
  175    H4*    G  17           H4*        G  17  -8.713  -7.824   4.192
  176    H3*    G  17           H3*        G  17  -6.010  -9.167   4.252
  177   1H2*    G  17          1H2*        G  17  -6.158  -9.286   1.855
  178   2HO*    G  17          2HO*        G  17  -8.013  -8.841   0.730
  179    H1*    G  17           H1*        G  17  -7.001  -6.697   1.601
  180    H8     G  17           H8         G  17  -4.504  -6.882   4.454
  181    H1     G  17           H1         G  17  -1.788  -6.709  -1.336
  182   1H2     G  17          1H2         G  17  -3.275  -7.520  -2.865
  183   2H2     G  17          2H2         G  17  -4.930  -7.906  -2.339
  184   1H5*    C  18          1H5*        C  18  -8.011 -11.575   1.502
  185   2H5*    C  18          2H5*        C  18  -7.881 -13.254   2.057
  186    H4*    C  18           H4*        C  18  -7.030 -13.261  -0.164
  187    H3*    C  18           H3*        C  18  -4.709 -13.121   1.788
  188   1H2*    C  18          1H2*        C  18  -3.320 -13.636  -0.109
  189   2HO*    C  18          2HO*        C  18  -4.163 -14.109  -2.120
  190    H1*    C  18           H1*        C  18  -4.575 -11.716  -1.633
  191   1H4     C  18          1H4         C  18  -0.060  -8.344   0.846
  192   2H4     C  18          2H4         C  18  -0.868  -8.132   2.401
  193    H5     C  18           H5         C  18  -2.823  -9.532   2.975
  194    H6     C  18           H6         C  18  -4.549 -10.915   1.936
  195   1H5*    C  19          1H5*        C  19  -3.751 -16.206  -0.529
  196   2H5*    C  19          2H5*        C  19  -3.283 -17.592   0.445
  197    H4*    C  19           H4*        C  19  -1.554 -17.176  -1.152
  198    H3*    C  19           H3*        C  19  -0.730 -16.397   1.660
  199   1H2*    C  19          1H2*        C  19   1.409 -15.926   0.775
  200   2HO*    C  19          2HO*        C  19   2.092 -16.811  -1.240
  201    H1*    C  19           H1*        C  19   0.524 -15.060  -1.787
  202   1H4     C  19          1H4         C  19   2.356 -10.005   1.223
  203   2H4     C  19          2H4         C  19   0.913  -9.893   2.202
  204    H5     C  19           H5         C  19  -0.539 -11.887   2.473
  205    H6     C  19           H6         C  19  -1.202 -13.927   1.218
  206    H3T    C  19           H3T        C  19   0.374 -18.390   1.417
   
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1   9.155  -1.883   0.279
    2   2H5*    G   1          2H5*        G   1   9.009  -1.456  -1.437
    3    H4*    G   1           H4*        G   1   8.953  -3.852  -1.282
    4    H3*    G   1           H3*        G   1   6.248  -2.683  -1.786
    5   1H2*    G   1          1H2*        G   1   5.443  -4.898  -2.075
    6   2HO*    G   1          2HO*        G   1   6.995  -6.701  -1.953
    7    H1*    G   1           H1*        G   1   6.744  -5.926   0.065
    8    H8     G   1           H8         G   1   5.142  -2.361   0.206
    9    H1     G   1           H1         G   1   1.916  -7.090   3.126
   10   1H2     G   1          1H2         G   1   3.066  -9.096   2.760
   11   2H2     G   1          2H2         G   1   4.543  -9.002   1.800
   12    H5T    G   1           H5T        G   1   7.661  -0.173  -0.090
   13   1H5*    G   2          1H5*        G   2   7.632  -5.972  -5.049
   14   2H5*    G   2          2H5*        G   2   7.319  -4.998  -6.484
   15    H4*    G   2           H4*        G   2   6.536  -7.020  -7.205
   16    H3*    G   2           H3*        G   2   4.202  -5.519  -6.017
   17   1H2*    G   2          1H2*        G   2   2.764  -7.304  -6.482
   18   2HO*    G   2          2HO*        G   2   3.288  -9.012  -7.815
   19    H1*    G   2           H1*        G   2   4.408  -9.280  -5.599
   20    H8     G   2           H8         G   2   5.362  -6.511  -3.370
   21    H1     G   2           H1         G   2  -0.067  -9.442  -1.571
   22   1H2     G   2          1H2         G   2  -0.964 -10.490  -3.364
   23   2H2     G   2          2H2         G   2  -0.035 -10.531  -4.879
   24   1H5*    C   3          1H5*        C   3   2.470  -6.761  -9.257
   25   2H5*    C   3          2H5*        C   3   1.643  -5.491 -10.178
   26    H4*    C   3           H4*        C   3   0.038  -7.180  -9.414
   27    H3*    C   3           H3*        C   3  -0.170  -4.452  -8.156
   28   1H2*    C   3          1H2*        C   3  -1.951  -5.186  -6.829
   29   2HO*    C   3          2HO*        C   3  -3.188  -6.087  -8.499
   30    H1*    C   3           H1*        C   3  -1.167  -7.855  -6.541
   31   1H4     C   3          1H4         C   3   0.133  -5.522  -0.872
   32   2H4     C   3          2H4         C   3   1.517  -4.589  -1.436
   33    H5     C   3           H5         C   3   2.088  -4.485  -3.842
   34    H6     C   3           H6         C   3   1.415  -5.286  -6.075
   35   1H5*    G   4          1H5*        G   4  -4.313  -2.316  -8.737
   36   2H5*    G   4          2H5*        G   4  -3.034  -2.845  -7.626
   37    H4*    G   4           H4*        G   4  -5.725  -4.266  -7.839
   38    H3*    G   4           H3*        G   4  -4.925  -1.963  -6.126
   39   1H2*    G   4          1H2*        G   4  -6.223  -3.011  -4.348
   40   2HO*    G   4          2HO*        G   4  -7.539  -4.747  -4.678
   41    H1*    G   4           H1*        G   4  -5.174  -5.433  -4.646
   42    H8     G   4           H8         G   4  -2.185  -3.415  -5.593
   43    H1     G   4           H1         G   4  -3.382  -3.547   0.713
   44   1H2     G   4          1H2         G   4  -5.593  -3.910   1.021
   45   2H2     G   4          2H2         G   4  -6.576  -4.406  -0.379
   46   1H5*    U   5          1H5*        U   5  -8.948  -2.685  -5.393
   47   2H5*    U   5          2H5*        U   5  -9.912  -1.210  -5.551
   48    H4*    U   5           H4*        U   5 -10.203  -2.100  -3.296
   49    H3*    U   5           H3*        U   5  -8.610   0.409  -3.585
   50   1H2*    U   5          1H2*        U   5  -8.381   0.610  -1.259
   51   2HO*    U   5          2HO*        U   5 -10.598   0.130  -0.761
   52    H1*    U   5           H1*        U   5  -8.149  -2.116  -0.759
   53    H3     U   5           H3         U   5  -4.198  -0.415   0.594
   54    H5     U   5           H5         U   5  -3.865  -0.503  -3.586
   55    H6     U   5           H6         U   5  -6.235  -1.134  -3.726
   56   1H5*    A   6          1H5*        A   6 -10.204   4.250  -2.120
   57   2H5*    A   6          2H5*        A   6  -8.854   3.104  -2.099
   58    H4*    A   6           H4*        A   6 -10.486   3.820   0.386
   59    H3*    A   6           H3*        A   6  -8.061   5.037  -0.925
   60   1H2*    A   6          1H2*        A   6  -7.072   5.446   1.163
   61   2HO*    A   6          2HO*        A   6  -8.286   6.038   2.756
   62    H1*    A   6           H1*        A   6  -7.773   3.065   2.311
   63    H8     A   6           H8         A   6  -6.838   2.523  -1.328
   64   1H6     A   6          1H6         A   6  -1.024   2.056   0.803
   65   2H6     A   6          2H6         A   6  -2.111   1.719  -0.537
   66    H2     A   6           H2         A   6  -3.514   3.682   4.071
   67   1H5*    C   7          1H5*        C   7  -9.280   8.028   1.852
   68   2H5*    C   7          2H5*        C   7  -8.869   9.622   1.180
   69    H4*    C   7           H4*        C   7  -7.670   9.109   3.284
   70    H3*    C   7           H3*        C   7  -5.878   9.422   0.846
   71   1H2*    C   7          1H2*        C   7  -4.119   9.548   2.470
   72   2HO*    C   7          2HO*        C   7  -4.497   9.423   4.667
   73    H1*    C   7           H1*        C   7  -4.938   7.159   3.597
   74   1H4     C   7          1H4         C   7  -1.537   4.817  -1.152
   75   2H4     C   7          2H4         C   7  -2.822   5.103  -2.323
   76    H5     C   7           H5         C   7  -4.860   6.341  -1.748
   77    H6     C   7           H6         C   7  -6.027   7.466   0.054
   78   1H5*    G   8          1H5*        G   8  -5.351  13.329   3.035
   79   2H5*    G   8          2H5*        G   8  -4.733  14.541   1.900
   80    H4*    G   8           H4*        G   8  -3.217  14.089   3.799
   81    H3*    G   8           H3*        G   8  -2.043  13.088   1.181
   82   1H2*    G   8          1H2*        G   8  -0.148  12.577   2.397
   83   2HO*    G   8          2HO*        G   8   0.335  13.481   4.470
   84    H1*    G   8           H1*        G   8  -1.765  12.435   4.902
   85    H8     G   8           H8         G   8  -2.214   9.787   2.428
   86    H1     G   8           H1         G   8   2.271   8.539   6.854
   87   1H2     G   8          1H2         G   8   2.873  10.561   7.836
   88   2H2     G   8          2H2         G   8   2.024  12.011   7.313
   89   1H5*    U   9          1H5*        U   9  -0.765  15.371  -2.095
   90   2H5*    U   9          2H5*        U   9   0.151  14.133  -1.224
   91    H4*    U   9           H4*        U   9   1.253  15.958  -2.904
   92    H3*    U   9           H3*        U   9   2.438  14.584  -0.617
   93   1H2*    U   9          1H2*        U   9   4.098  16.074  -0.237
   94   2HO*    U   9          2HO*        U   9   4.936  17.534  -1.829
   95    H1*    U   9           H1*        U   9   2.938  18.446  -1.046
   96    H3     U   9           H3         U   9   3.375  19.533   3.285
   97    H5     U   9           H5         U   9   1.718  15.714   3.532
   98    H6     U   9           H6         U   9   1.674  15.604   1.105
   99   1H5*    U  10          1H5*        U  10   4.669  13.382  -1.040
  100   2H5*    U  10          2H5*        U  10   5.331  12.114  -2.070
  101    H4*    U  10           H4*        U  10   5.271  10.498  -0.347
  102    H3*    U  10           H3*        U  10   2.764  11.598   0.341
  103   1H2*    U  10          1H2*        U  10   3.471  13.345   1.587
  104   2HO*    U  10          2HO*        U  10   3.825  12.484   3.930
  105    H1*    U  10           H1*        U  10   5.753  11.739   2.738
  106    H3     U  10           H3         U  10   6.498  15.598   5.093
  107    H5     U  10           H5         U  10   5.630  16.964   1.231
  108    H6     U  10           H6         U  10   5.386  14.603   0.526
  109   1H5*    U  11          1H5*        U  11   1.728   6.814   0.288
  110   2H5*    U  11          2H5*        U  11   3.377   7.436   0.147
  111    H4*    U  11           H4*        U  11   2.906   6.453  -1.934
  112    H3*    U  11           H3*        U  11   3.383   9.229  -1.873
  113   1H2*    U  11          1H2*        U  11   1.178   9.875  -2.117
  114   2HO*    U  11          2HO*        U  11   0.811   9.973  -4.615
  115    H1*    U  11           H1*        U  11   0.739   7.562  -4.046
  116    H3     U  11           H3         U  11  -3.697   8.556  -4.441
  117    H5     U  11           H5         U  11  -2.846   9.510  -0.457
  118    H6     U  11           H6         U  11  -0.493   8.846  -0.870
  119   1H5*    C  12          1H5*        C  12   4.983   8.210  -1.132
  120   2H5*    C  12          2H5*        C  12   6.410   9.228  -1.407
  121    H4*    C  12           H4*        C  12   6.864   7.585   0.251
  122    H3*    C  12           H3*        C  12   8.447   7.978  -1.911
  123   1H2*    C  12          1H2*        C  12   7.529   6.192  -3.245
  124   2HO*    C  12          2HO*        C  12   8.855   4.117  -2.641
  125    H1*    C  12           H1*        C  12   7.509   4.449  -0.809
  126   1H4     C  12          1H4         C  12   4.287   0.757  -4.574
  127   2H4     C  12          2H4         C  12   2.991   1.928  -4.888
  128    H5     C  12           H5         C  12   3.291   4.298  -4.167
  129    H6     C  12           H6         C  12   4.774   5.763  -2.859
  130   1H5*    G  13          1H5*        G  13   9.092   5.928   3.255
  131   2H5*    G  13          2H5*        G  13   8.480   5.314   1.698
  132    H4*    G  13           H4*        G  13   6.761   6.829   3.703
  133    H3*    G  13           H3*        G  13   6.963   3.845   3.099
  134   1H2*    G  13          1H2*        G  13   4.708   3.719   3.789
  135   2HO*    G  13          2HO*        G  13   3.988   5.034   5.407
  136    H1*    G  13           H1*        G  13   4.166   6.335   2.902
  137    H8     G  13           H8         G  13   5.273   3.971   0.104
  138    H1     G  13           H1         G  13  -1.018   4.992   1.106
  139   1H2     G  13          1H2         G  13  -1.242   5.925   3.188
  140   2H2     G  13          2H2         G  13   0.236   6.126   4.144
  141   1H5*    U  14          1H5*        U  14   5.475   4.927   7.350
  142   2H5*    U  14          2H5*        U  14   5.668   3.536   8.429
  143    H4*    U  14           H4*        U  14   3.385   4.468   8.535
  144    H3*    U  14           H3*        U  14   3.558   1.701   7.305
  145   1H2*    U  14          1H2*        U  14   1.173   1.724   7.285
  146   2HO*    U  14          2HO*        U  14   0.814   2.457   9.385
  147    H1*    U  14           H1*        U  14   0.923   4.460   6.734
  148    H3     U  14           H3         U  14  -1.107   2.552   3.170
  149    H5     U  14           H5         U  14   2.924   1.546   2.632
  150    H6     U  14           H6         U  14   3.413   2.546   4.826
  151   1H5*    A  15          1H5*        A  15   0.747  -1.329   9.824
  152   2H5*    A  15          2H5*        A  15   1.140  -0.601   8.257
  153    H4*    A  15           H4*        A  15  -1.211   0.378   9.928
  154    H3*    A  15           H3*        A  15  -1.049  -1.874   7.918
  155   1H2*    A  15          1H2*        A  15  -3.262  -1.282   7.183
  156   2HO*    A  15          2HO*        A  15  -4.516   0.247   8.235
  157    H1*    A  15           H1*        A  15  -2.665   1.386   6.958
  158    H8     A  15           H8         A  15   0.550  -0.303   6.080
  159   1H6     A  15          1H6         A  15  -1.913  -0.640   0.371
  160   2H6     A  15          2H6         A  15  -0.456  -0.828   1.337
  161    H2     A  15           H2         A  15  -5.183   0.252   3.194
  162   1H5*    C  16          1H5*        C  16  -4.742  -2.524   9.272
  163   2H5*    C  16          2H5*        C  16  -5.019  -4.225   9.707
  164    H4*    C  16           H4*        C  16  -6.564  -3.599   7.936
  165    H3*    C  16           H3*        C  16  -4.306  -5.326   6.902
  166   1H2*    C  16          1H2*        C  16  -5.595  -5.481   4.880
  167   2HO*    C  16          2HO*        C  16  -7.665  -4.868   4.702
  168    H1*    C  16           H1*        C  16  -6.116  -2.793   4.827
  169   1H4     C  16          1H4         C  16  -1.033  -3.614   1.276
  170   2H4     C  16          2H4         C  16   0.051  -3.942   2.648
  171    H5     C  16           H5         C  16  -0.796  -3.795   4.954
  172    H6     C  16           H6         C  16  -2.854  -3.590   6.307
  173   1H5*    G  17          1H5*        G  17  -8.011  -7.154   5.897
  174   2H5*    G  17          2H5*        G  17  -7.907  -8.922   5.988
  175    H4*    G  17           H4*        G  17  -8.714  -8.150   3.779
  176    H3*    G  17           H3*        G  17  -6.001  -9.468   3.843
  177   1H2*    G  17          1H2*        G  17  -6.095  -9.473   1.438
  178   2HO*    G  17          2HO*        G  17  -7.916  -9.058   0.292
  179    H1*    G  17           H1*        G  17  -6.975  -6.893   1.276
  180    H8     G  17           H8         G  17  -4.529  -7.093   4.160
  181    H1     G  17           H1         G  17  -1.751  -6.834  -1.617
  182   1H2     G  17          1H2         G  17  -3.271  -7.549  -3.183
  183   2H2     G  17          2H2         G  17  -4.931  -7.907  -2.655
  184   1H5*    C  18          1H5*        C  18  -8.106 -11.670   0.958
  185   2H5*    C  18          2H5*        C  18  -7.905 -13.403   1.273
  186    H4*    C  18           H4*        C  18  -7.183 -13.002  -0.985
  187    H3*    C  18           H3*        C  18  -4.792 -13.274   0.862
  188   1H2*    C  18          1H2*        C  18  -3.502 -13.475  -1.178
  189   2HO*    C  18          2HO*        C  18  -4.447 -13.527  -3.192
  190    H1*    C  18           H1*        C  18  -4.721 -11.257  -2.240
  191   1H4     C  18          1H4         C  18  -0.081  -8.495   0.600
  192   2H4     C  18          2H4         C  18  -0.848  -8.518   2.190
  193    H5     C  18           H5         C  18  -2.777  -9.992   2.613
  194    H6     C  18           H6         C  18  -4.569 -11.124   1.408
  195   1H5*    C  19          1H5*        C  19  -4.075 -15.897  -2.112
  196   2H5*    C  19          2H5*        C  19  -3.577 -17.452  -1.461
  197    H4*    C  19           H4*        C  19  -1.965 -16.739  -3.090
  198    H3*    C  19           H3*        C  19  -0.912 -16.610  -0.250
  199   1H2*    C  19          1H2*        C  19   1.184 -16.024  -1.184
  200   2HO*    C  19          2HO*        C  19   1.666 -16.454  -3.396
  201    H1*    C  19           H1*        C  19   0.165 -14.564  -3.391
  202   1H4     C  19          1H4         C  19   2.251 -10.276   0.455
  203   2H4     C  19          2H4         C  19   0.837 -10.330   1.481
  204    H5     C  19           H5         C  19  -0.581 -12.365   1.499
  205    H6     C  19           H6         C  19  -1.336 -14.111  -0.097
  206    H3T    C  19           H3T        C  19   0.083 -18.533  -1.003
   
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  10.526  -3.273  -1.605
    2   2H5*    G   1          2H5*        G   1  11.179  -4.805  -2.204
    3    H4*    G   1           H4*        G   1   9.198  -5.333  -1.031
    4    H3*    G   1           H3*        G   1   8.624  -5.391  -3.969
    5   1H2*    G   1          1H2*        G   1   6.517  -6.246  -3.425
    6   2HO*    G   1          2HO*        G   1   6.025  -7.120  -1.304
    7    H1*    G   1           H1*        G   1   6.252  -4.803  -1.028
    8    H8     G   1           H8         G   1   3.923  -4.213  -1.909
    9    H1     G   1           H1         G   1   6.337  -0.791  -6.788
   10   1H2     G   1          1H2         G   1   8.685  -1.244  -6.872
   11   2H2     G   1          2H2         G   1   9.271  -2.390  -5.647
   12    H5T    G   1           H5T        G   1  11.262  -3.143  -3.772
   13   1H5*    G   2          1H5*        G   2   7.959  -9.302  -5.996
   14   2H5*    G   2          2H5*        G   2   7.727  -7.562  -6.222
   15    H4*    G   2           H4*        G   2   5.926  -9.161  -7.115
   16    H3*    G   2           H3*        G   2   5.149  -6.869  -5.305
   17   1H2*    G   2          1H2*        G   2   2.900  -7.574  -5.559
   18   2HO*    G   2          2HO*        G   2   2.223  -8.434  -7.332
   19    H1*    G   2           H1*        G   2   3.363 -10.258  -5.339
   20    H8     G   2           H8         G   2   5.357  -7.847  -3.064
   21    H1     G   2           H1         G   2  -0.253 -10.043  -0.751
   22   1H2     G   2          1H2         G   2  -1.324 -11.160  -2.413
   23   2H2     G   2          2H2         G   2  -0.507 -11.274  -3.985
   24   1H5*    C   3          1H5*        C   3   2.731  -7.120  -9.076
   25   2H5*    C   3          2H5*        C   3   2.212  -5.507  -9.590
   26    H4*    C   3           H4*        C   3   0.268  -6.993  -9.172
   27    H3*    C   3           H3*        C   3   0.612  -4.709  -7.230
   28   1H2*    C   3          1H2*        C   3  -1.559  -5.282  -6.415
   29   2HO*    C   3          2HO*        C   3  -2.995  -6.213  -7.584
   30    H1*    C   3           H1*        C   3  -1.072  -7.988  -6.386
   31   1H4     C   3          1H4         C   3   0.300  -6.071  -0.497
   32   2H4     C   3          2H4         C   3   1.758  -5.262  -1.039
   33    H5     C   3           H5         C   3   2.415  -5.159  -3.393
   34    H6     C   3           H6         C   3   1.742  -5.706  -5.631
   35   1H5*    G   4          1H5*        G   4  -3.180  -4.525  -9.085
   36   2H5*    G   4          2H5*        G   4  -3.797  -2.878  -9.264
   37    H4*    G   4           H4*        G   4  -5.356  -4.289  -7.965
   38    H3*    G   4           H3*        G   4  -4.088  -2.051  -6.421
   39   1H2*    G   4          1H2*        G   4  -5.650  -2.730  -4.657
   40   2HO*    G   4          2HO*        G   4  -7.360  -3.929  -4.994
   41    H1*    G   4           H1*        G   4  -5.032  -5.293  -4.770
   42    H8     G   4           H8         G   4  -1.852  -3.391  -5.689
   43    H1     G   4           H1         G   4  -3.045  -3.658   0.607
   44   1H2     G   4          1H2         G   4  -5.273  -3.906   0.891
   45   2H2     G   4          2H2         G   4  -6.270  -4.370  -0.508
   46   1H5*    U   5          1H5*        U   5  -8.278  -1.903  -6.126
   47   2H5*    U   5          2H5*        U   5  -8.941  -0.263  -6.243
   48    H4*    U   5           H4*        U   5  -9.593  -1.247  -4.097
   49    H3*    U   5           H3*        U   5  -7.516   0.897  -3.912
   50   1H2*    U   5          1H2*        U   5  -7.795   0.839  -1.534
   51   2HO*    U   5          2HO*        U   5  -9.406  -0.286  -0.526
   52    H1*    U   5           H1*        U   5  -7.719  -1.911  -1.436
   53    H3     U   5           H3         U   5  -3.799  -0.429   0.351
   54    H5     U   5           H5         U   5  -3.140  -0.433  -3.792
   55    H6     U   5           H6         U   5  -5.493  -0.883  -4.135
   56   1H5*    A   6          1H5*        A   6 -10.446   2.158  -1.261
   57   2H5*    A   6          2H5*        A   6 -10.889   3.841  -1.606
   58    H4*    A   6           H4*        A   6 -10.237   3.692   0.728
   59    H3*    A   6           H3*        A   6  -8.176   5.023  -1.039
   60   1H2*    A   6          1H2*        A   6  -6.927   5.522   0.897
   61   2HO*    A   6          2HO*        A   6  -7.896   6.023   2.658
   62    H1*    A   6           H1*        A   6  -7.401   3.129   2.155
   63    H8     A   6           H8         A   6  -6.628   2.759  -1.589
   64   1H6     A   6          1H6         A   6  -0.765   2.174   0.546
   65   2H6     A   6          2H6         A   6  -1.806   1.776  -0.812
   66    H2     A   6           H2         A   6  -3.218   3.832   3.752
   67   1H5*    C   7          1H5*        C   7  -9.283   7.849   2.038
   68   2H5*    C   7          2H5*        C   7  -9.029   9.497   1.419
   69    H4*    C   7           H4*        C   7  -7.637   8.972   3.413
   70    H3*    C   7           H3*        C   7  -6.092   9.531   0.857
   71   1H2*    C   7          1H2*        C   7  -4.226   9.727   2.229
   72   2HO*    C   7          2HO*        C   7  -4.737  10.496   4.165
   73    H1*    C   7           H1*        C   7  -4.754   7.254   3.400
   74   1H4     C   7          1H4         C   7  -1.729   5.099  -1.688
   75   2H4     C   7          2H4         C   7  -3.044   5.528  -2.780
   76    H5     C   7           H5         C   7  -5.028   6.739  -2.004
   77    H6     C   7           H6         C   7  -6.105   7.702  -0.060
   78   1H5*    G   8          1H5*        G   8  -5.703  12.950   3.728
   79   2H5*    G   8          2H5*        G   8  -5.031  14.372   2.906
   80    H4*    G   8           H4*        G   8  -3.640  13.675   4.813
   81    H3*    G   8           H3*        G   8  -2.277  12.981   2.185
   82   1H2*    G   8          1H2*        G   8  -0.407  12.528   3.486
   83   2HO*    G   8          2HO*        G   8  -0.251  13.106   5.726
   84    H1*    G   8           H1*        G   8  -2.180  11.748   5.718
   85    H8     G   8           H8         G   8  -2.516   9.536   2.865
   86    H1     G   8           H1         G   8   2.924   8.417   6.008
   87   1H2     G   8          1H2         G   8   3.232  10.099   7.575
   88   2H2     G   8          2H2         G   8   2.109  11.452   7.585
   89   1H5*    U   9          1H5*        U   9  -0.049  15.380  -0.464
   90   2H5*    U   9          2H5*        U   9   0.727  14.224   0.630
   91    H4*    U   9           H4*        U   9   2.040  16.139  -0.703
   92    H3*    U   9           H3*        U   9   2.663  14.900   1.859
   93   1H2*    U   9          1H2*        U   9   3.955  16.617   2.735
   94   2HO*    U   9          2HO*        U   9   5.056  18.157   1.417
   95    H1*    U   9           H1*        U   9   2.828  18.832   1.520
   96    H3     U   9           H3         U   9   1.130  20.152   5.437
   97    H5     U   9           H5         U   9   0.378  16.047   5.535
   98    H6     U   9           H6         U   9   1.371  15.835   3.331
   99   1H5*    U  10          1H5*        U  10   5.732  11.577  -0.468
  100   2H5*    U  10          2H5*        U  10   4.102  12.067  -1.007
  101    H4*    U  10           H4*        U  10   4.272   9.633  -0.274
  102    H3*    U  10           H3*        U  10   2.191  11.388   0.136
  103   1H2*    U  10          1H2*        U  10   2.867  12.154   2.164
  104   2HO*    U  10          2HO*        U  10   1.570  11.131   3.836
  105    H1*    U  10           H1*        U  10   3.474   9.306   3.038
  106    H3     U  10           H3         U  10   5.963  10.152   6.771
  107    H5     U  10           H5         U  10   5.451  13.936   5.062
  108    H6     U  10           H6         U  10   4.398  12.871   3.145
  109   1H5*    U  11          1H5*        U  11   0.293   7.202  -1.934
  110   2H5*    U  11          2H5*        U  11   1.952   7.659  -1.524
  111    H4*    U  11           H4*        U  11   1.971   7.333  -3.857
  112    H3*    U  11           H3*        U  11   2.590   9.845  -2.859
  113   1H2*    U  11          1H2*        U  11   0.531  10.845  -3.304
  114   2HO*    U  11          2HO*        U  11   0.722  11.947  -5.447
  115    H1*    U  11           H1*        U  11   0.368   9.388  -5.950
  116    H3     U  11           H3         U  11  -3.818  11.042  -6.689
  117    H5     U  11           H5         U  11  -3.745  10.403  -2.551
  118    H6     U  11           H6         U  11  -1.416   9.614  -2.785
  119   1H5*    C  12          1H5*        C  12   3.926   8.308  -2.457
  120   2H5*    C  12          2H5*        C  12   5.421   9.070  -1.897
  121    H4*    C  12           H4*        C  12   5.357   6.840  -1.158
  122    H3*    C  12           H3*        C  12   7.459   7.863  -2.476
  123   1H2*    C  12          1H2*        C  12   6.927   6.986  -4.602
  124   2HO*    C  12          2HO*        C  12   7.900   4.684  -4.775
  125    H1*    C  12           H1*        C  12   6.026   4.391  -3.429
  126   1H4     C  12          1H4         C  12   4.340   3.795  -9.365
  127   2H4     C  12          2H4         C  12   3.177   5.135  -9.348
  128    H5     C  12           H5         C  12   3.085   6.620  -7.341
  129    H6     C  12           H6         C  12   4.037   6.936  -5.082
  130   1H5*    G  13          1H5*        G  13   9.227   5.690   2.364
  131   2H5*    G  13          2H5*        G  13   8.624   4.572   1.142
  132    H4*    G  13           H4*        G  13   7.075   6.870   2.455
  133    H3*    G  13           H3*        G  13   6.928   3.835   2.457
  134   1H2*    G  13          1H2*        G  13   4.676   3.911   2.632
  135   2HO*    G  13          2HO*        G  13   3.532   5.743   3.655
  136    H1*    G  13           H1*        G  13   4.519   6.663   1.787
  137    H8     G  13           H8         G  13   5.163   4.407  -1.104
  138    H1     G  13           H1         G  13  -1.028   5.118   0.582
  139   1H2     G  13          1H2         G  13  -1.085   5.969   2.687
  140   2H2     G  13          2H2         G  13   0.481   6.230   3.475
  141   1H5*    U  14          1H5*        U  14   5.408   5.627   6.576
  142   2H5*    U  14          2H5*        U  14   5.824   4.431   7.820
  143    H4*    U  14           H4*        U  14   3.544   5.133   8.176
  144    H3*    U  14           H3*        U  14   3.737   2.353   7.004
  145   1H2*    U  14          1H2*        U  14   1.383   2.224   7.012
  146   2HO*    U  14          2HO*        U  14   0.996   2.953   9.108
  147    H1*    U  14           H1*        U  14   0.870   4.888   6.412
  148    H3     U  14           H3         U  14  -0.896   2.676   2.900
  149    H5     U  14           H5         U  14   3.212   2.192   2.336
  150    H6     U  14           H6         U  14   3.589   3.373   4.465
  151   1H5*    A  15          1H5*        A  15   1.067  -0.735   9.718
  152   2H5*    A  15          2H5*        A  15   1.439  -0.094   8.110
  153    H4*    A  15           H4*        A  15  -0.956   0.897   9.715
  154    H3*    A  15           H3*        A  15  -0.708  -1.461   7.839
  155   1H2*    A  15          1H2*        A  15  -2.922  -0.969   7.028
  156   2HO*    A  15          2HO*        A  15  -4.224   0.613   7.954
  157    H1*    A  15           H1*        A  15  -2.407   1.692   6.684
  158    H8     A  15           H8         A  15   0.879   0.084   5.941
  159   1H6     A  15          1H6         A  15  -1.430  -0.610   0.213
  160   2H6     A  15          2H6         A  15   0.016  -0.668   1.213
  161    H2     A  15           H2         A  15  -4.796   0.296   2.903
  162   1H5*    C  16          1H5*        C  16  -4.519  -1.880   9.083
  163   2H5*    C  16          2H5*        C  16  -4.886  -3.540   9.581
  164    H4*    C  16           H4*        C  16  -6.352  -2.877   7.734
  165    H3*    C  16           H3*        C  16  -4.233  -4.878   6.937
  166   1H2*    C  16          1H2*        C  16  -5.456  -5.096   4.880
  167   2HO*    C  16          2HO*        C  16  -7.470  -4.436   4.591
  168    H1*    C  16           H1*        C  16  -5.767  -2.399   4.581
  169   1H4     C  16          1H4         C  16  -0.695  -3.620   1.236
  170   2H4     C  16          2H4         C  16   0.398  -3.652   2.634
  171    H5     C  16           H5         C  16  -0.521  -3.534   4.933
  172    H6     C  16           H6         C  16  -2.614  -3.240   6.204
  173   1H5*    G  17          1H5*        G  17  -8.112  -6.404   6.015
  174   2H5*    G  17          2H5*        G  17  -8.193  -8.152   6.288
  175    H4*    G  17           H4*        G  17  -8.855  -7.559   3.978
  176    H3*    G  17           H3*        G  17  -6.278  -9.093   4.318
  177   1H2*    G  17          1H2*        G  17  -6.284  -9.402   1.941
  178   2HO*    G  17          2HO*        G  17  -8.031  -9.029   0.675
  179    H1*    G  17           H1*        G  17  -6.947  -6.798   1.415
  180    H8     G  17           H8         G  17  -4.615  -6.886   4.403
  181    H1     G  17           H1         G  17  -1.611  -7.176  -1.251
  182   1H2     G  17          1H2         G  17  -3.101  -7.785  -2.872
  183   2H2     G  17          2H2         G  17  -4.786  -8.078  -2.398
  184   1H5*    C  18          1H5*        C  18  -8.425 -11.602   1.863
  185   2H5*    C  18          2H5*        C  18  -8.379 -13.256   2.507
  186    H4*    C  18           H4*        C  18  -7.489 -13.373   0.289
  187    H3*    C  18           H3*        C  18  -5.206 -13.307   2.290
  188   1H2*    C  18          1H2*        C  18  -3.825 -13.946   0.429
  189   2HO*    C  18          2HO*        C  18  -4.634 -14.470  -1.560
  190    H1*    C  18           H1*        C  18  -4.956 -12.019  -1.175
  191   1H4     C  18          1H4         C  18  -0.226  -8.806   1.209
  192   2H4     C  18          2H4         C  18  -1.049  -8.529   2.742
  193    H5     C  18           H5         C  18  -3.049  -9.828   3.366
  194    H6     C  18           H6         C  18  -4.865 -11.139   2.376
  195   1H5*    C  19          1H5*        C  19  -4.498 -16.544   0.023
  196   2H5*    C  19          2H5*        C  19  -3.927 -17.900   0.985
  197    H4*    C  19           H4*        C  19  -2.352 -17.418  -0.784
  198    H3*    C  19           H3*        C  19  -1.308 -16.772   1.986
  199   1H2*    C  19          1H2*        C  19   0.769 -16.286   0.941
  200   2HO*    C  19          2HO*        C  19   1.239 -17.055  -1.182
  201    H1*    C  19           H1*        C  19  -0.314 -15.227  -1.454
  202   1H4     C  19          1H4         C  19   1.949 -10.583   1.954
  203   2H4     C  19          2H4         C  19   0.784 -10.693   3.274
  204    H5     C  19           H5         C  19  -0.925 -12.510   3.213
  205    H6     C  19           H6         C  19  -1.769 -14.370   1.792
  206    H3T    C  19           H3T        C  19  -0.242 -18.756   1.564
   
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1   4.459  -3.594   1.551
    2   2H5*    G   1          2H5*        G   1   4.525  -2.262   0.387
    3    H4*    G   1           H4*        G   1   6.783  -3.134   0.652
    4    H3*    G   1           H3*        G   1   5.504  -4.140  -1.837
    5   1H2*    G   1          1H2*        G   1   7.661  -5.070  -2.432
    6   2HO*    G   1          2HO*        G   1   8.548  -2.931  -1.467
    7    H1*    G   1           H1*        G   1   8.265  -5.543   0.276
    8    H8     G   1           H8         G   1   8.909  -7.054  -2.288
    9    H1     G   1           H1         G   1   4.091 -10.798  -0.315
   10   1H2     G   1          1H2         G   1   3.041  -9.780   1.344
   11   2H2     G   1          2H2         G   1   3.571  -8.162   1.854
   12    H5T    G   1           H5T        G   1   2.770  -3.672   0.002
   13   1H5*    G   2          1H5*        G   2   7.874  -4.627  -4.453
   14   2H5*    G   2          2H5*        G   2   7.181  -3.719  -5.788
   15    H4*    G   2           H4*        G   2   7.007  -5.934  -6.499
   16    H3*    G   2           H3*        G   2   4.393  -4.931  -5.389
   17   1H2*    G   2          1H2*        G   2   3.338  -6.944  -6.009
   18   2HO*    G   2          2HO*        G   2   4.353  -8.526  -7.268
   19    H1*    G   2           H1*        G   2   5.248  -8.573  -4.971
   20    H8     G   2           H8         G   2   5.750  -5.863  -2.693
   21    H1     G   2           H1         G   2   0.391  -9.051  -1.207
   22   1H2     G   2          1H2         G   2  -0.357 -10.160  -3.008
   23   2H2     G   2          2H2         G   2   0.642 -10.205  -4.483
   24   1H5*    C   3          1H5*        C   3   2.986  -6.215  -8.574
   25   2H5*    C   3          2H5*        C   3   2.076  -5.058  -9.569
   26    H4*    C   3           H4*        C   3   0.611  -6.871  -8.818
   27    H3*    C   3           H3*        C   3   0.109  -4.144  -7.644
   28   1H2*    C   3          1H2*        C   3  -1.634  -5.004  -6.336
   29   2HO*    C   3          2HO*        C   3  -2.729  -6.069  -8.022
   30    H1*    C   3           H1*        C   3  -0.625  -7.579  -5.957
   31   1H4     C   3          1H4         C   3   0.336  -5.088  -0.311
   32   2H4     C   3          2H4         C   3   1.789  -4.211  -0.823
   33    H5     C   3           H5         C   3   2.369  -4.041  -3.207
   34    H6     C   3           H6         C   3   1.828  -4.920  -5.450
   35   1H5*    G   4          1H5*        G   4  -4.144  -2.381  -8.491
   36   2H5*    G   4          2H5*        G   4  -2.905  -2.787  -7.289
   37    H4*    G   4           H4*        G   4  -5.486  -4.383  -7.619
   38    H3*    G   4           H3*        G   4  -4.926  -1.976  -5.951
   39   1H2*    G   4          1H2*        G   4  -6.254  -3.023  -4.195
   40   2HO*    G   4          2HO*        G   4  -7.450  -4.852  -4.520
   41    H1*    G   4           H1*        G   4  -5.064  -5.394  -4.340
   42    H8     G   4           H8         G   4  -2.154  -3.229  -5.248
   43    H1     G   4           H1         G   4  -3.428  -3.491   1.034
   44   1H2     G   4          1H2         G   4  -5.649  -3.876   1.296
   45   2H2     G   4          2H2         G   4  -6.619  -4.341  -0.122
   46   1H5*    U   5          1H5*        U   5  -8.920  -2.798  -5.308
   47   2H5*    U   5          2H5*        U   5  -9.920  -1.368  -5.628
   48    H4*    U   5           H4*        U   5 -10.279  -2.035  -3.318
   49    H3*    U   5           H3*        U   5  -8.674   0.441  -3.763
   50   1H2*    U   5          1H2*        U   5  -8.381   0.805  -1.496
   51   2HO*    U   5          2HO*        U   5 -10.578   0.554  -0.898
   52    H1*    U   5           H1*        U   5  -8.333  -1.892  -0.737
   53    H3     U   5           H3         U   5  -4.336  -0.345   0.654
   54    H5     U   5           H5         U   5  -3.921  -0.486  -3.521
   55    H6     U   5           H6         U   5  -6.296  -1.086  -3.700
   56   1H5*    A   6          1H5*        A   6 -10.322   4.352  -2.378
   57   2H5*    A   6          2H5*        A   6  -8.952   3.228  -2.358
   58    H4*    A   6           H4*        A   6 -10.552   3.962   0.142
   59    H3*    A   6           H3*        A   6  -8.174   5.196  -1.237
   60   1H2*    A   6          1H2*        A   6  -7.113   5.599   0.806
   61   2HO*    A   6          2HO*        A   6  -8.242   6.237   2.429
   62    H1*    A   6           H1*        A   6  -7.854   3.265   2.047
   63    H8     A   6           H8         A   6  -6.834   2.723  -1.587
   64   1H6     A   6          1H6         A   6  -1.117   2.054   0.752
   65   2H6     A   6          2H6         A   6  -2.172   1.738  -0.614
   66    H2     A   6           H2         A   6  -3.672   3.762   3.931
   67   1H5*    C   7          1H5*        C   7  -9.415   8.151   1.668
   68   2H5*    C   7          2H5*        C   7  -9.008   9.771   1.052
   69    H4*    C   7           H4*        C   7  -7.799   9.157   3.143
   70    H3*    C   7           H3*        C   7  -6.063   9.679   0.705
   71   1H2*    C   7          1H2*        C   7  -4.244   9.662   2.264
   72   2HO*    C   7          2HO*        C   7  -4.550   9.402   4.476
   73    H1*    C   7           H1*        C   7  -5.062   7.242   3.348
   74   1H4     C   7          1H4         C   7  -1.776   4.888  -1.433
   75   2H4     C   7          2H4         C   7  -2.990   5.325  -2.636
   76    H5     C   7           H5         C   7  -4.985   6.634  -2.034
   77    H6     C   7           H6         C   7  -6.118   7.757  -0.191
   78   1H5*    G   8          1H5*        G   8  -3.874  13.294  -0.305
   79   2H5*    G   8          2H5*        G   8  -3.872  11.640   0.379
   80    H4*    G   8           H4*        G   8  -2.929  14.074   1.863
   81    H3*    G   8           H3*        G   8  -1.353  11.946   0.426
   82   1H2*    G   8          1H2*        G   8   0.388  12.309   2.040
   83   2HO*    G   8          2HO*        G   8   0.278  14.098   3.516
   84    H1*    G   8           H1*        G   8  -1.538  12.613   4.136
   85    H8     G   8           H8         G   8  -2.296   9.743   2.009
   86    H1     G   8           H1         G   8   1.946   8.387   6.634
   87   1H2     G   8          1H2         G   8   2.680  10.359   7.551
   88   2H2     G   8          2H2         G   8   2.086  11.886   6.912
   89   1H5*    U   9          1H5*        U   9   1.004  16.575  -0.524
   90   2H5*    U   9          2H5*        U   9   2.168  15.904  -1.660
   91    H4*    U   9           H4*        U   9   3.320  17.413  -0.190
   92    H3*    U   9           H3*        U   9   3.768  14.569   0.631
   93   1H2*    U   9          1H2*        U   9   5.257  15.312   2.240
   94   2HO*    U   9          2HO*        U   9   6.219  17.365   2.207
   95    H1*    U   9           H1*        U   9   3.808  17.707   2.767
   96    H3     U   9           H3         U   9   3.260  15.886   6.888
   97    H5     U   9           H5         U   9   2.156  12.755   4.348
   98    H6     U   9           H6         U   9   2.677  14.201   2.420
   99   1H5*    U  10          1H5*        U  10   3.387  11.997  -1.751
  100   2H5*    U  10          2H5*        U  10   3.338  12.851  -0.215
  101    H4*    U  10           H4*        U  10   4.604  10.151  -0.800
  102    H3*    U  10           H3*        U  10   2.203  11.206   0.487
  103   1H2*    U  10          1H2*        U  10   3.007  11.346   2.568
  104   2HO*    U  10          2HO*        U  10   3.369   9.093   3.579
  105    H1*    U  10           H1*        U  10   5.208   9.366   2.005
  106    H3     U  10           H3         U  10   6.751  10.459   6.174
  107    H5     U  10           H5         U  10   5.860  14.172   4.442
  108    H6     U  10           H6         U  10   5.043  12.987   2.461
  109   1H5*    U  11          1H5*        U  11   0.521   6.527  -1.974
  110   2H5*    U  11          2H5*        U  11   2.151   7.060  -1.546
  111    H4*    U  11           H4*        U  11   2.229   6.827  -3.848
  112    H3*    U  11           H3*        U  11   2.590   9.408  -2.808
  113   1H2*    U  11          1H2*        U  11   0.475  10.185  -3.274
  114   2HO*    U  11          2HO*        U  11   0.608  11.254  -5.484
  115    H1*    U  11           H1*        U  11   0.385   8.794  -5.933
  116    H3     U  11           H3         U  11  -3.940  10.141  -6.434
  117    H5     U  11           H5         U  11  -3.681   9.189  -2.362
  118    H6     U  11           H6         U  11  -1.313   8.631  -2.714
  119   1H5*    C  12          1H5*        C  12   3.959   8.261  -2.003
  120   2H5*    C  12          2H5*        C  12   5.622   8.639  -1.564
  121    H4*    C  12           H4*        C  12   4.954   6.540  -0.676
  122    H3*    C  12           H3*        C  12   7.281   7.006  -2.014
  123   1H2*    C  12          1H2*        C  12   6.636   6.022  -4.066
  124   2HO*    C  12          2HO*        C  12   7.025   3.507  -3.840
  125    H1*    C  12           H1*        C  12   5.128   3.881  -2.557
  126   1H4     C  12          1H4         C  12   3.519   2.497  -8.372
  127   2H4     C  12          2H4         C  12   2.792   4.074  -8.739
  128    H5     C  12           H5         C  12   3.099   5.941  -7.112
  129    H6     C  12           H6         C  12   4.030   6.477  -4.877
  130   1H5*    G  13          1H5*        G  13   8.173   6.991   1.296
  131   2H5*    G  13          2H5*        G  13   8.842   6.198   2.730
  132    H4*    G  13           H4*        G  13   6.607   6.931   3.248
  133    H3*    G  13           H3*        G  13   6.646   3.934   2.703
  134   1H2*    G  13          1H2*        G  13   4.441   3.897   3.477
  135   2HO*    G  13          2HO*        G  13   3.835   5.214   5.125
  136    H1*    G  13           H1*        G  13   3.861   6.467   2.574
  137    H8     G  13           H8         G  13   5.012   4.105  -0.215
  138    H1     G  13           H1         G  13  -1.285   4.902   0.915
  139   1H2     G  13          1H2         G  13  -1.513   5.796   2.981
  140   2H2     G  13          2H2         G  13  -0.055   6.010   3.956
  141   1H5*    U  14          1H5*        U  14   5.385   5.092   7.017
  142   2H5*    U  14          2H5*        U  14   5.597   3.700   8.092
  143    H4*    U  14           H4*        U  14   3.346   4.722   8.282
  144    H3*    U  14           H3*        U  14   3.394   1.901   7.184
  145   1H2*    U  14          1H2*        U  14   0.998   1.985   7.235
  146   2HO*    U  14          2HO*        U  14   0.711   2.859   9.286
  147    H1*    U  14           H1*        U  14   0.785   4.657   6.485
  148    H3     U  14           H3         U  14  -1.218   2.520   3.070
  149    H5     U  14           H5         U  14   2.841   1.609   2.531
  150    H6     U  14           H6         U  14   3.312   2.716   4.675
  151   1H5*    A  15          1H5*        A  15   0.544  -0.915   9.962
  152   2H5*    A  15          2H5*        A  15   0.915  -0.304   8.341
  153    H4*    A  15           H4*        A  15  -1.376   0.833   9.999
  154    H3*    A  15           H3*        A  15  -1.308  -1.542   8.128
  155   1H2*    A  15          1H2*        A  15  -3.514  -0.940   7.377
  156   2HO*    A  15          2HO*        A  15  -4.717   0.687   8.346
  157    H1*    A  15           H1*        A  15  -2.854   1.693   6.985
  158    H8     A  15           H8         A  15   0.311  -0.110   6.199
  159   1H6     A  15          1H6         A  15  -2.111  -0.518   0.489
  160   2H6     A  15          2H6         A  15  -0.665  -0.645   1.468
  161    H2     A  15           H2         A  15  -5.407   0.436   3.273
  162   1H5*    C  16          1H5*        C  16  -5.001  -2.180   9.484
  163   2H5*    C  16          2H5*        C  16  -5.226  -3.864  10.006
  164    H4*    C  16           H4*        C  16  -6.746  -3.403   8.167
  165    H3*    C  16           H3*        C  16  -4.391  -5.077   7.270
  166   1H2*    C  16          1H2*        C  16  -5.594  -5.362   5.220
  167   2HO*    C  16          2HO*        C  16  -7.682  -4.882   4.944
  168    H1*    C  16           H1*        C  16  -6.245  -2.707   5.039
  169   1H4     C  16          1H4         C  16  -1.067  -3.382   1.666
  170   2H4     C  16          2H4         C  16   0.028  -3.366   3.060
  171    H5     C  16           H5         C  16  -0.898  -3.403   5.363
  172    H6     C  16           H6         C  16  -2.999  -3.275   6.639
  173   1H5*    G  17          1H5*        G  17  -7.984  -7.151   6.163
  174   2H5*    G  17          2H5*        G  17  -7.757  -8.905   6.298
  175    H4*    G  17           H4*        G  17  -8.512  -8.231   4.038
  176    H3*    G  17           H3*        G  17  -5.714  -9.348   4.226
  177   1H2*    G  17          1H2*        G  17  -5.733  -9.393   1.813
  178   2HO*    G  17          2HO*        G  17  -7.534  -9.112   0.608
  179    H1*    G  17           H1*        G  17  -6.742  -6.872   1.593
  180    H8     G  17           H8         G  17  -4.419  -6.940   4.595
  181    H1     G  17           H1         G  17  -1.415  -6.572  -1.066
  182   1H2     G  17          1H2         G  17  -2.878  -7.311  -2.700
  183   2H2     G  17          2H2         G  17  -4.541  -7.724  -2.223
  184   1H5*    C  18          1H5*        C  18  -7.595 -11.730   1.244
  185   2H5*    C  18          2H5*        C  18  -7.220 -13.437   1.548
  186    H4*    C  18           H4*        C  18  -6.532 -12.909  -0.707
  187    H3*    C  18           H3*        C  18  -4.145 -13.062   1.153
  188   1H2*    C  18          1H2*        C  18  -2.831 -13.055  -0.849
  189   2HO*    C  18          2HO*        C  18  -3.726 -13.136  -2.899
  190    H1*    C  18           H1*        C  18  -4.216 -10.952  -1.907
  191   1H4     C  18          1H4         C  18   0.420  -8.229   1.029
  192   2H4     C  18          2H4         C  18  -0.320  -8.299   2.628
  193    H5     C  18           H5         C  18  -2.342  -9.692   2.968
  194    H6     C  18           H6         C  18  -4.107 -10.826   1.725
  195   1H5*    C  19          1H5*        C  19  -2.991 -15.449  -1.849
  196   2H5*    C  19          2H5*        C  19  -2.164 -16.899  -1.273
  197    H4*    C  19           H4*        C  19  -0.741 -15.554  -2.755
  198    H3*    C  19           H3*        C  19   0.187 -15.816   0.113
  199   1H2*    C  19          1H2*        C  19   2.163 -14.664  -0.528
  200   2HO*    C  19          2HO*        C  19   2.734 -14.412  -2.745
  201    H1*    C  19           H1*        C  19   0.952 -12.830  -2.252
  202   1H4     C  19          1H4         C  19   2.307 -10.356   3.359
  203   2H4     C  19          2H4         C  19   0.850 -10.976   4.134
  204    H5     C  19           H5         C  19  -0.600 -12.597   2.937
  205    H6     C  19           H6         C  19  -0.972 -13.642   0.736
  206    H3T    C  19           H3T        C  19   1.593 -17.284  -0.950
   
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1   9.421  -2.426   0.486
    2   2H5*    G   1          2H5*        G   1   9.294  -2.065  -1.247
    3    H4*    G   1           H4*        G   1   9.094  -4.459  -0.942
    4    H3*    G   1           H3*        G   1   6.484  -3.148  -1.573
    5   1H2*    G   1          1H2*        G   1   5.548  -5.338  -1.753
    6   2HO*    G   1          2HO*        G   1   6.995  -7.213  -1.474
    7    H1*    G   1           H1*        G   1   6.761  -6.283   0.487
    8    H8     G   1           H8         G   1   4.853  -2.922  -0.233
    9    H1     G   1           H1         G   1   2.435  -6.694   4.364
   10   1H2     G   1          1H2         G   1   3.901  -8.468   4.709
   11   2H2     G   1          2H2         G   1   5.322  -8.554   3.668
   12    H5T    G   1           H5T        G   1   8.025  -0.649   0.042
   13   1H5*    G   2          1H5*        G   2   7.719  -6.736  -4.515
   14   2H5*    G   2          2H5*        G   2   7.489  -5.871  -6.033
   15    H4*    G   2           H4*        G   2   6.652  -7.922  -6.608
   16    H3*    G   2           H3*        G   2   4.346  -6.224  -5.653
   17   1H2*    G   2          1H2*        G   2   2.843  -7.978  -6.032
   18   2HO*    G   2          2HO*        G   2   3.349  -9.822  -7.187
   19    H1*    G   2           H1*        G   2   4.362  -9.940  -4.914
   20    H8     G   2           H8         G   2   5.350  -7.038  -2.886
   21    H1     G   2           H1         G   2  -0.225  -9.677  -1.055
   22   1H2     G   2          1H2         G   2  -1.123 -10.787  -2.794
   23   2H2     G   2          2H2         G   2  -0.183 -10.907  -4.296
   24   1H5*    C   3          1H5*        C   3   2.651  -7.625  -8.811
   25   2H5*    C   3          2H5*        C   3   1.987  -6.377  -9.883
   26    H4*    C   3           H4*        C   3   0.186  -7.816  -9.093
   27    H3*    C   3           H3*        C   3   0.214  -5.015  -7.980
   28   1H2*    C   3          1H2*        C   3  -1.699  -5.494  -6.723
   29   2HO*    C   3          2HO*        C   3  -2.939  -6.373  -8.409
   30    H1*    C   3           H1*        C   3  -1.206  -8.207  -6.264
   31   1H4     C   3          1H4         C   3   0.084  -5.719  -0.659
   32   2H4     C   3          2H4         C   3   1.571  -4.948  -1.203
   33    H5     C   3           H5         C   3   2.233  -5.008  -3.585
   34    H6     C   3           H6         C   3   1.583  -5.863  -5.803
   35   1H5*    G   4          1H5*        G   4  -3.652  -2.491  -8.884
   36   2H5*    G   4          2H5*        G   4  -2.490  -3.094  -7.687
   37    H4*    G   4           H4*        G   4  -5.299  -4.242  -8.006
   38    H3*    G   4           H3*        G   4  -4.314  -2.012  -6.270
   39   1H2*    G   4          1H2*        G   4  -5.835  -2.877  -4.561
   40   2HO*    G   4          2HO*        G   4  -7.367  -4.357  -4.958
   41    H1*    G   4           H1*        G   4  -5.013  -5.387  -4.751
   42    H8     G   4           H8         G   4  -1.837  -3.600  -5.642
   43    H1     G   4           H1         G   4  -3.165  -3.506   0.639
   44   1H2     G   4          1H2         G   4  -5.389  -3.815   0.916
   45   2H2     G   4          2H2         G   4  -6.361  -4.333  -0.482
   46   1H5*    U   5          1H5*        U   5  -8.473  -2.128  -5.954
   47   2H5*    U   5          2H5*        U   5  -9.226  -0.528  -6.109
   48    H4*    U   5           H4*        U   5  -9.831  -1.465  -3.940
   49    H3*    U   5           H3*        U   5  -7.806   0.733  -3.795
   50   1H2*    U   5          1H2*        U   5  -8.074   0.712  -1.420
   51   2HO*    U   5          2HO*        U   5  -9.645  -0.462  -0.383
   52    H1*    U   5           H1*        U   5  -7.923  -2.033  -1.277
   53    H3     U   5           H3         U   5  -4.044  -0.402   0.450
   54    H5     U   5           H5         U   5  -3.403  -0.478  -3.693
   55    H6     U   5           H6         U   5  -5.746  -1.022  -4.020
   56   1H5*    A   6          1H5*        A   6 -10.675   2.022  -1.061
   57   2H5*    A   6          2H5*        A   6 -11.144   3.681  -1.480
   58    H4*    A   6           H4*        A   6 -10.431   3.701   0.826
   59    H3*    A   6           H3*        A   6  -8.352   4.836  -1.051
   60   1H2*    A   6          1H2*        A   6  -7.105   5.464   0.834
   61   2HO*    A   6          2HO*        A   6  -8.066   6.142   2.543
   62    H1*    A   6           H1*        A   6  -7.628   3.185   2.284
   63    H8     A   6           H8         A   6  -6.826   2.654  -1.439
   64   1H6     A   6          1H6         A   6  -0.974   2.083   0.682
   65   2H6     A   6          2H6         A   6  -2.032   1.704  -0.661
   66    H2     A   6           H2         A   6  -3.419   3.773   3.906
   67   1H5*    C   7          1H5*        C   7  -9.319   8.047   1.731
   68   2H5*    C   7          2H5*        C   7  -8.940   9.593   0.939
   69    H4*    C   7           H4*        C   7  -7.609   9.178   2.990
   70    H3*    C   7           H3*        C   7  -5.942   9.357   0.449
   71   1H2*    C   7          1H2*        C   7  -4.106   9.465   1.925
   72   2HO*    C   7          2HO*        C   7  -4.713  10.538   3.708
   73    H1*    C   7           H1*        C   7  -4.882   7.198   3.234
   74   1H4     C   7          1H4         C   7  -1.764   4.758  -1.706
   75   2H4     C   7          2H4         C   7  -3.117   5.040  -2.795
   76    H5     C   7           H5         C   7  -5.113   6.274  -2.116
   77    H6     C   7           H6         C   7  -6.182   7.406  -0.270
   78   1H5*    G   8          1H5*        G   8  -5.517  13.155   2.930
   79   2H5*    G   8          2H5*        G   8  -4.664  14.424   2.033
   80    H4*    G   8           H4*        G   8  -3.558  13.739   4.169
   81    H3*    G   8           H3*        G   8  -1.904  12.995   1.718
   82   1H2*    G   8          1H2*        G   8  -0.212  12.517   3.285
   83   2HO*    G   8          2HO*        G   8  -0.362  13.098   5.503
   84    H1*    G   8           H1*        G   8  -2.237  11.725   5.258
   85    H8     G   8           H8         G   8  -2.267   9.675   2.224
   86    H1     G   8           H1         G   8   2.059   7.878   6.629
   87   1H2     G   8          1H2         G   8   2.280   9.618   8.160
   88   2H2     G   8          2H2         G   8   1.293  11.054   7.919
   89   1H5*    U   9          1H5*        U   9   0.247  15.871  -0.850
   90   2H5*    U   9          2H5*        U   9   1.101  14.663   0.132
   91    H4*    U   9           H4*        U   9   2.198  16.892  -0.911
   92    H3*    U   9           H3*        U   9   2.960  15.312   1.393
   93   1H2*    U   9          1H2*        U   9   4.060  16.874   2.644
   94   2HO*    U   9          2HO*        U   9   5.126  18.690   1.764
   95    H1*    U   9           H1*        U   9   2.804  19.204   1.768
   96    H3     U   9           H3         U   9   1.291  19.678   5.936
   97    H5     U   9           H5         U   9   0.697  15.603   5.288
   98    H6     U   9           H6         U   9   1.518  15.859   3.018
   99   1H5*    U  10          1H5*        U  10   4.776  12.660  -2.399
  100   2H5*    U  10          2H5*        U  10   3.151  12.050  -2.131
  101    H4*    U  10           H4*        U  10   4.765  10.704  -0.874
  102    H3*    U  10           H3*        U  10   2.533  12.075   0.385
  103   1H2*    U  10          1H2*        U  10   3.836  13.117   1.927
  104   2HO*    U  10          2HO*        U  10   4.257  11.658   3.798
  105    H1*    U  10           H1*        U  10   5.823  10.823   1.649
  106    H3     U  10           H3         U  10   8.644  12.637   4.733
  107    H5     U  10           H5         U  10   6.900  16.006   2.973
  108    H6     U  10           H6         U  10   5.582  14.468   1.511
  109   1H5*    U  11          1H5*        U  11   1.199   6.911  -0.213
  110   2H5*    U  11          2H5*        U  11   2.825   7.567  -0.402
  111    H4*    U  11           H4*        U  11   2.339   6.606  -2.474
  112    H3*    U  11           H3*        U  11   2.735   9.382  -2.341
  113   1H2*    U  11          1H2*        U  11   0.480   9.936  -2.546
  114   2HO*    U  11          2HO*        U  11   0.068  10.365  -4.883
  115    H1*    U  11           H1*        U  11   0.141   7.684  -4.552
  116    H3     U  11           H3         U  11  -4.347   8.407  -4.929
  117    H5     U  11           H5         U  11  -3.530   9.486  -0.972
  118    H6     U  11           H6         U  11  -1.147   8.914  -1.376
  119   1H5*    C  12          1H5*        C  12   4.461   8.327  -1.789
  120   2H5*    C  12          2H5*        C  12   5.790   9.483  -2.023
  121    H4*    C  12           H4*        C  12   6.459   7.765  -0.519
  122    H3*    C  12           H3*        C  12   7.946   8.467  -2.667
  123   1H2*    C  12          1H2*        C  12   7.103   6.785  -4.139
  124   2HO*    C  12          2HO*        C  12   8.593   4.781  -3.867
  125    H1*    C  12           H1*        C  12   7.303   4.755  -1.964
  126   1H4     C  12          1H4         C  12   4.409   1.628  -6.498
  127   2H4     C  12          2H4         C  12   2.974   2.674  -6.531
  128    H5     C  12           H5         C  12   2.987   4.782  -5.202
  129    H6     C  12           H6         C  12   4.336   6.083  -3.596
  130   1H5*    G  13          1H5*        G  13   8.954   6.211   2.458
  131   2H5*    G  13          2H5*        G  13   8.436   5.529   0.891
  132    H4*    G  13           H4*        G  13   6.537   6.855   2.868
  133    H3*    G  13           H3*        G  13   6.981   3.902   2.277
  134   1H2*    G  13          1H2*        G  13   4.703   3.606   2.767
  135   2HO*    G  13          2HO*        G  13   3.485   5.257   3.936
  136    H1*    G  13           H1*        G  13   4.125   6.325   2.033
  137    H8     G  13           H8         G  13   5.105   4.119  -0.920
  138    H1     G  13           H1         G  13  -1.142   4.864   0.502
  139   1H2     G  13          1H2         G  13  -1.271   5.776   2.589
  140   2H2     G  13          2H2         G  13   0.251   5.967   3.475
  141   1H5*    U  14          1H5*        U  14   5.548   5.110   6.656
  142   2H5*    U  14          2H5*        U  14   5.928   3.787   7.773
  143    H4*    U  14           H4*        U  14   3.704   4.616   8.239
  144    H3*    U  14           H3*        U  14   3.694   1.894   6.938
  145   1H2*    U  14          1H2*        U  14   1.326   1.901   7.073
  146   2HO*    U  14          2HO*        U  14   1.089   2.595   9.202
  147    H1*    U  14           H1*        U  14   0.944   4.595   6.553
  148    H3     U  14           H3         U  14  -1.024   2.611   3.008
  149    H5     U  14           H5         U  14   3.038   1.816   2.393
  150    H6     U  14           H6         U  14   3.525   2.894   4.548
  151   1H5*    A  15          1H5*        A  15   0.940  -1.134   9.646
  152   2H5*    A  15          2H5*        A  15   1.282  -0.445   8.052
  153    H4*    A  15           H4*        A  15  -0.974   0.619   9.801
  154    H3*    A  15           H3*        A  15  -0.936  -1.691   7.856
  155   1H2*    A  15          1H2*        A  15  -3.134  -1.061   7.115
  156   2HO*    A  15          2HO*        A  15  -4.332   0.556   8.120
  157    H1*    A  15           H1*        A  15  -2.496   1.580   6.808
  158    H8     A  15           H8         A  15   0.697  -0.173   5.972
  159   1H6     A  15          1H6         A  15  -1.716  -0.661   0.285
  160   2H6     A  15          2H6         A  15  -0.291  -0.882   1.289
  161    H2     A  15           H2         A  15  -5.024   0.343   3.056
  162   1H5*    C  16          1H5*        C  16  -4.685  -2.075   9.132
  163   2H5*    C  16          2H5*        C  16  -5.060  -3.736   9.632
  164    H4*    C  16           H4*        C  16  -6.523  -3.101   7.789
  165    H3*    C  16           H3*        C  16  -4.353  -5.024   6.933
  166   1H2*    C  16          1H2*        C  16  -5.574  -5.219   4.877
  167   2HO*    C  16          2HO*        C  16  -7.617  -4.721   4.653
  168    H1*    C  16           H1*        C  16  -5.959  -2.518   4.659
  169   1H4     C  16          1H4         C  16  -0.829  -3.670   1.283
  170   2H4     C  16          2H4         C  16   0.218  -3.911   2.712
  171    H5     C  16           H5         C  16  -0.692  -3.696   4.964
  172    H6     C  16           H6         C  16  -2.777  -3.384   6.256
  173   1H5*    G  17          1H5*        G  17  -8.214  -6.706   6.024
  174   2H5*    G  17          2H5*        G  17  -8.193  -8.468   6.227
  175    H4*    G  17           H4*        G  17  -8.947  -7.810   3.962
  176    H3*    G  17           H3*        G  17  -6.286  -9.222   4.142
  177   1H2*    G  17          1H2*        G  17  -6.365  -9.391   1.743
  178   2HO*    G  17          2HO*        G  17  -8.167  -8.994   0.559
  179    H1*    G  17           H1*        G  17  -7.143  -6.793   1.402
  180    H8     G  17           H8         G  17  -4.725  -6.970   4.324
  181    H1     G  17           H1         G  17  -1.854  -6.970  -1.393
  182   1H2     G  17          1H2         G  17  -3.370  -7.672  -2.977
  183   2H2     G  17          2H2         G  17  -5.047  -7.990  -2.480
  184   1H5*    C  18          1H5*        C  18  -8.400 -11.597   1.421
  185   2H5*    C  18          2H5*        C  18  -8.248 -13.300   1.896
  186    H4*    C  18           H4*        C  18  -7.450 -13.135  -0.363
  187    H3*    C  18           H3*        C  18  -5.118 -13.244   1.576
  188   1H2*    C  18          1H2*        C  18  -3.761 -13.613  -0.358
  189   2HO*    C  18          2HO*        C  18  -4.606 -13.904  -2.404
  190    H1*    C  18           H1*        C  18  -4.953 -11.558  -1.727
  191   1H4     C  18          1H4         C  18  -0.273  -8.558   0.977
  192   2H4     C  18          2H4         C  18  -1.093  -8.453   2.531
  193    H5     C  18           H5         C  18  -3.102  -9.793   3.000
  194    H6     C  18           H6         C  18  -4.874 -11.035   1.884
  195   1H5*    C  19          1H5*        C  19  -4.181 -16.130  -0.983
  196   2H5*    C  19          2H5*        C  19  -3.566 -17.565  -0.163
  197    H4*    C  19           H4*        C  19  -1.923 -16.721  -1.739
  198    H3*    C  19           H3*        C  19  -1.131 -16.435   1.172
  199   1H2*    C  19          1H2*        C  19   0.978 -15.646   0.401
  200   2HO*    C  19          2HO*        C  19   1.638 -15.971  -1.783
  201    H1*    C  19           H1*        C  19   0.002 -14.181  -1.787
  202   1H4     C  19          1H4         C  19   1.546 -10.532   2.988
  203   2H4     C  19          2H4         C  19   0.227 -11.012   4.081
  204    H5     C  19           H5         C  19  -1.429 -12.690   3.238
  205    H6     C  19           H6         C  19  -1.955 -14.140   1.310
  206    H3T    C  19           H3T        C  19   0.138 -18.235   0.543
   
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1   7.709   1.010  -1.253
    2   2H5*    G   1          2H5*        G   1   8.966  -0.125  -1.749
    3    H4*    G   1           H4*        G   1   7.379  -1.398  -0.601
    4    H3*    G   1           H3*        G   1   6.922  -1.833  -3.525
    5   1H2*    G   1          1H2*        G   1   5.372  -3.494  -2.895
    6   2HO*    G   1          2HO*        G   1   5.228  -4.299  -0.699
    7    H1*    G   1           H1*        G   1   4.374  -2.127  -0.682
    8    H8     G   1           H8         G   1   2.062  -2.492  -1.778
    9    H1     G   1           H1         G   1   3.522   1.556  -6.562
   10   1H2     G   1          1H2         G   1   5.749   2.264  -6.107
   11   2H2     G   1          2H2         G   1   6.627   1.216  -4.937
   12    H5T    G   1           H5T        G   1   8.446   1.373  -3.386
   13   1H5*    G   2          1H5*        G   2   8.014  -6.020  -5.086
   14   2H5*    G   2          2H5*        G   2   7.152  -4.561  -5.590
   15    H4*    G   2           H4*        G   2   6.139  -6.815  -6.234
   16    H3*    G   2           H3*        G   2   4.481  -4.809  -4.718
   17   1H2*    G   2          1H2*        G   2   2.674  -6.335  -4.841
   18   2HO*    G   2          2HO*        G   2   2.422  -7.543  -6.527
   19    H1*    G   2           H1*        G   2   4.109  -8.610  -4.332
   20    H8     G   2           H8         G   2   5.013  -5.412  -2.383
   21    H1     G   2           H1         G   2   0.575  -9.221   0.337
   22   1H2     G   2          1H2         G   2  -0.020 -10.821  -1.134
   23   2H2     G   2          2H2         G   2   0.773 -10.821  -2.722
   24   1H5*    C   3          1H5*        C   3   2.578  -6.374  -8.407
   25   2H5*    C   3          2H5*        C   3   1.566  -5.146  -9.185
   26    H4*    C   3           H4*        C   3   0.228  -7.148  -8.629
   27    H3*    C   3           H3*        C   3  -0.386  -4.683  -6.995
   28   1H2*    C   3          1H2*        C   3  -2.311  -5.866  -6.197
   29   2HO*    C   3          2HO*        C   3  -3.093  -7.670  -7.118
   30    H1*    C   3           H1*        C   3  -0.915  -8.214  -5.770
   31   1H4     C   3          1H4         C   3  -0.180  -5.525  -0.073
   32   2H4     C   3          2H4         C   3   0.867  -4.306  -0.752
   33    H5     C   3           H5         C   3   1.343  -4.113  -3.105
   34    H6     C   3           H6         C   3   0.881  -4.996  -5.274
   35   1H5*    G   4          1H5*        G   4  -3.943  -5.641  -8.702
   36   2H5*    G   4          2H5*        G   4  -4.793  -4.216  -9.331
   37    H4*    G   4           H4*        G   4  -6.231  -5.293  -7.697
   38    H3*    G   4           H3*        G   4  -5.044  -2.755  -6.634
   39   1H2*    G   4          1H2*        G   4  -6.529  -3.143  -4.748
   40   2HO*    G   4          2HO*        G   4  -8.136  -4.598  -4.745
   41    H1*    G   4           H1*        G   4  -5.860  -5.699  -4.435
   42    H8     G   4           H8         G   4  -2.758  -3.830  -5.667
   43    H1     G   4           H1         G   4  -3.862  -3.546   0.657
   44   1H2     G   4          1H2         G   4  -6.043  -4.009   1.027
   45   2H2     G   4          2H2         G   4  -7.039  -4.587  -0.327
   46   1H5*    U   5          1H5*        U   5  -9.165  -2.704  -6.125
   47   2H5*    U   5          2H5*        U   5  -9.887  -1.144  -6.546
   48    H4*    U   5           H4*        U   5 -10.392  -1.660  -4.210
   49    H3*    U   5           H3*        U   5  -8.464   0.561  -4.724
   50   1H2*    U   5          1H2*        U   5  -8.309   1.013  -2.435
   51   2HO*    U   5          2HO*        U   5 -10.534   0.984  -1.960
   52    H1*    U   5           H1*        U   5  -8.494  -1.620  -1.571
   53    H3     U   5           H3         U   5  -4.368  -0.245  -0.205
   54    H5     U   5           H5         U   5  -3.939  -0.773  -4.345
   55    H6     U   5           H6         U   5  -6.330  -1.217  -4.508
   56   1H5*    A   6          1H5*        A   6 -10.102   4.685  -2.966
   57   2H5*    A   6          2H5*        A   6  -8.760   3.536  -3.085
   58    H4*    A   6           H4*        A   6 -10.476   3.749  -0.574
   59    H3*    A   6           H3*        A   6  -8.113   5.358  -1.518
   60   1H2*    A   6          1H2*        A   6  -7.167   5.334   0.656
   61   2HO*    A   6          2HO*        A   6  -8.276   4.902   2.468
   62    H1*    A   6           H1*        A   6  -7.700   2.706   1.178
   63    H8     A   6           H8         A   6  -6.756   2.878  -2.472
   64   1H6     A   6          1H6         A   6  -0.936   2.386  -0.353
   65   2H6     A   6          2H6         A   6  -1.959   2.274  -1.786
   66    H2     A   6           H2         A   6  -3.478   3.436   3.040
   67   1H5*    C   7          1H5*        C   7  -9.251   7.359   1.948
   68   2H5*    C   7          2H5*        C   7  -9.062   9.113   1.724
   69    H4*    C   7           H4*        C   7  -7.607   8.217   3.511
   70    H3*    C   7           H3*        C   7  -6.190   9.412   1.106
   71   1H2*    C   7          1H2*        C   7  -4.259   9.298   2.395
   72   2HO*    C   7          2HO*        C   7  -4.231   8.569   4.557
   73    H1*    C   7           H1*        C   7  -4.702   6.659   3.140
   74   1H4     C   7          1H4         C   7  -1.715   5.468  -2.211
   75   2H4     C   7          2H4         C   7  -3.109   5.871  -3.226
   76    H5     C   7           H5         C   7  -5.138   6.884  -2.233
   77    H6     C   7           H6         C   7  -6.156   7.578  -0.116
   78   1H5*    G   8          1H5*        G   8  -4.558  14.067   1.570
   79   2H5*    G   8          2H5*        G   8  -4.273  12.317   1.332
   80    H4*    G   8           H4*        G   8  -3.889  13.712   3.953
   81    H3*    G   8           H3*        G   8  -1.898  13.130   1.763
   82   1H2*    G   8          1H2*        G   8  -0.383  12.325   3.261
   83   2HO*    G   8          2HO*        G   8  -0.327  12.976   5.509
   84    H1*    G   8           H1*        G   8  -2.440  11.941   5.383
   85    H8     G   8           H8         G   8  -2.422   9.721   2.485
   86    H1     G   8           H1         G   8   1.779   7.859   6.955
   87   1H2     G   8          1H2         G   8   2.242   9.645   8.255
   88   2H2     G   8          2H2         G   8   1.125  11.019   8.242
   89   1H5*    U   9          1H5*        U   9   1.138  15.533   0.261
   90   2H5*    U   9          2H5*        U   9   1.338  14.048   1.199
   91    H4*    U   9           H4*        U   9   3.320  15.776   0.725
   92    H3*    U   9           H3*        U   9   2.847  14.057   3.066
   93   1H2*    U   9          1H2*        U   9   4.173  15.249   4.532
   94   2HO*    U   9          2HO*        U   9   5.985  16.518   3.856
   95    H1*    U   9           H1*        U   9   4.113  17.807   3.367
   96    H3     U   9           H3         U   9   2.141  19.255   7.131
   97    H5     U   9           H5         U   9   0.024  15.741   6.344
   98    H6     U   9           H6         U   9   1.415  15.382   4.369
   99   1H5*    U  10          1H5*        U  10   6.189  10.747   0.460
  100   2H5*    U  10          2H5*        U  10   4.845  11.625  -0.309
  101    H4*    U  10           H4*        U  10   4.681   9.119  -0.571
  102    H3*    U  10           H3*        U  10   2.591  10.811   0.033
  103   1H2*    U  10          1H2*        U  10   2.630  10.651   2.242
  104   2HO*    U  10          2HO*        U  10   1.066   8.300   1.942
  105    H1*    U  10           H1*        U  10   3.192   7.684   2.291
  106    H3     U  10           H3         U  10   4.614   7.065   6.392
  107    H5     U  10           H5         U  10   3.716  11.163   6.226
  108    H6     U  10           H6         U  10   3.652  11.001   3.832
  109   1H5*    U  11          1H5*        U  11   0.909   8.329  -3.968
  110   2H5*    U  11          2H5*        U  11   2.455   8.220  -3.117
  111    H4*    U  11           H4*        U  11   2.982   8.918  -5.295
  112    H3*    U  11           H3*        U  11   3.640  10.623  -3.156
  113   1H2*    U  11          1H2*        U  11   1.923  12.132  -3.525
  114   2HO*    U  11          2HO*        U  11   2.857  13.910  -4.869
  115    H1*    U  11           H1*        U  11   2.352  11.862  -6.506
  116    H3     U  11           H3         U  11  -1.089  14.707  -7.403
  117    H5     U  11           H5         U  11  -2.360  12.727  -3.940
  118    H6     U  11           H6         U  11  -0.222  11.458  -3.967
  119   1H5*    C  12          1H5*        C  12   4.673   8.998  -2.724
  120   2H5*    C  12          2H5*        C  12   6.279   9.091  -1.979
  121    H4*    C  12           H4*        C  12   5.448   6.886  -1.752
  122    H3*    C  12           H3*        C  12   7.850   7.436  -2.899
  123   1H2*    C  12          1H2*        C  12   7.196   7.079  -5.135
  124   2HO*    C  12          2HO*        C  12   7.435   4.711  -5.722
  125    H1*    C  12           H1*        C  12   5.370   4.818  -4.338
  126   1H4     C  12          1H4         C  12   3.693   5.579 -10.298
  127   2H4     C  12          2H4         C  12   3.475   7.336 -10.211
  128    H5     C  12           H5         C  12   4.093   8.523  -8.118
  129    H6     C  12           H6         C  12   4.915   8.182  -5.838
  130   1H5*    G  13          1H5*        G  13   9.518   5.035   1.567
  131   2H5*    G  13          2H5*        G  13   8.822   3.784   0.554
  132    H4*    G  13           H4*        G  13   7.466   6.120   1.955
  133    H3*    G  13           H3*        G  13   7.244   3.111   1.812
  134   1H2*    G  13          1H2*        G  13   5.027   3.139   1.529
  135   2HO*    G  13          2HO*        G  13   4.764   5.329   3.429
  136    H1*    G  13           H1*        G  13   4.870   6.085   1.544
  137    H8     G  13           H8         G  13   5.168   4.470  -1.877
  138    H1     G  13           H1         G  13  -0.872   5.504   0.141
  139   1H2     G  13          1H2         G  13  -0.830   6.190   2.293
  140   2H2     G  13          2H2         G  13   0.687   6.238   3.177
  141   1H5*    U  14          1H5*        U  14   5.562   4.923   5.942
  142   2H5*    U  14          2H5*        U  14   5.860   3.712   7.204
  143    H4*    U  14           H4*        U  14   3.616   4.520   7.477
  144    H3*    U  14           H3*        U  14   3.628   1.769   6.223
  145   1H2*    U  14          1H2*        U  14   1.240   1.843   6.322
  146   2HO*    U  14          2HO*        U  14   1.035   2.605   8.444
  147    H1*    U  14           H1*        U  14   0.986   4.544   5.765
  148    H3     U  14           H3         U  14  -1.051   2.874   2.090
  149    H5     U  14           H5         U  14   2.934   1.717   1.576
  150    H6     U  14           H6         U  14   3.437   2.599   3.790
  151   1H5*    A  15          1H5*        A  15   0.758  -1.108   8.983
  152   2H5*    A  15          2H5*        A  15   1.111  -0.451   7.375
  153    H4*    A  15           H4*        A  15  -1.055   0.784   9.116
  154    H3*    A  15           H3*        A  15  -1.172  -1.681   7.387
  155   1H2*    A  15          1H2*        A  15  -3.309  -1.000   6.537
  156   2HO*    A  15          2HO*        A  15  -4.530   0.596   7.446
  157    H1*    A  15           H1*        A  15  -2.620   1.628   6.169
  158    H8     A  15           H8         A  15   0.536  -0.050   5.222
  159   1H6     A  15          1H6         A  15  -1.996  -0.309  -0.444
  160   2H6     A  15          2H6         A  15  -0.502  -0.159   0.476
  161    H2     A  15           H2         A  15  -5.282   0.134   2.474
  162   1H5*    C  16          1H5*        C  16  -4.903  -1.726   9.005
  163   2H5*    C  16          2H5*        C  16  -5.311  -3.300   9.721
  164    H4*    C  16           H4*        C  16  -6.897  -2.865   7.945
  165    H3*    C  16           H3*        C  16  -4.782  -4.854   7.088
  166   1H2*    C  16          1H2*        C  16  -6.132  -5.240   5.140
  167   2HO*    C  16          2HO*        C  16  -8.183  -4.442   4.916
  168    H1*    C  16           H1*        C  16  -6.528  -2.554   4.716
  169   1H4     C  16          1H4         C  16  -1.525  -3.173   1.190
  170   2H4     C  16          2H4         C  16  -0.402  -3.055   2.556
  171    H5     C  16           H5         C  16  -1.217  -3.274   4.874
  172    H6     C  16           H6         C  16  -3.266  -3.290   6.232
  173   1H5*    G  17          1H5*        G  17  -8.356  -7.038   6.433
  174   2H5*    G  17          2H5*        G  17  -8.064  -8.706   6.982
  175    H4*    G  17           H4*        G  17  -8.702  -8.660   4.607
  176    H3*    G  17           H3*        G  17  -5.830  -9.391   5.176
  177   1H2*    G  17          1H2*        G  17  -5.664 -10.030   2.876
  178   2HO*    G  17          2HO*        G  17  -7.422 -10.250   1.548
  179    H1*    G  17           H1*        G  17  -6.979  -7.796   1.979
  180    H8     G  17           H8         G  17  -4.812  -6.847   4.937
  181    H1     G  17           H1         G  17  -1.627  -7.173  -0.610
  182   1H2     G  17          1H2         G  17  -2.923  -8.261  -2.179
  183   2H2     G  17          2H2         G  17  -4.507  -8.873  -1.668
  184   1H5*    C  18          1H5*        C  18  -6.959 -12.679   3.028
  185   2H5*    C  18          2H5*        C  18  -6.530 -14.138   3.944
  186    H4*    C  18           H4*        C  18  -5.457 -14.357   1.827
  187    H3*    C  18           H3*        C  18  -3.450 -13.339   3.867
  188   1H2*    C  18          1H2*        C  18  -1.794 -13.855   2.210
  189   2HO*    C  18          2HO*        C  18  -2.283 -14.892   0.290
  190    H1*    C  18           H1*        C  18  -3.265 -12.641   0.223
  191   1H4     C  18          1H4         C  18   0.157  -7.827   2.099
  192   2H4     C  18          2H4         C  18  -0.724  -7.634   3.602
  193    H5     C  18           H5         C  18  -2.401  -9.257   4.326
  194    H6     C  18           H6         C  18  -3.724 -11.148   3.527
  195   1H5*    C  19          1H5*        C  19  -1.561 -16.438   2.364
  196   2H5*    C  19          2H5*        C  19  -0.858 -17.459   3.615
  197    H4*    C  19           H4*        C  19   0.865 -16.748   2.076
  198    H3*    C  19           H3*        C  19   1.087 -15.514   4.834
  199   1H2*    C  19          1H2*        C  19   3.129 -14.538   4.112
  200   2HO*    C  19          2HO*        C  19   4.212 -15.308   2.232
  201    H1*    C  19           H1*        C  19   2.322 -13.996   1.477
  202   1H4     C  19          1H4         C  19   2.279  -8.808   4.899
  203   2H4     C  19          2H4         C  19   0.822  -9.186   5.842
  204    H5     C  19           H5         C  19  -0.327 -11.365   5.407
  205    H6     C  19           H6         C  19  -0.174 -13.445   4.085
  206    H3T    C  19           H3T        C  19   2.728 -17.109   4.933
   
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1   9.796  -3.910   0.036
    2   2H5*    G   1          2H5*        G   1   9.649  -3.455  -1.674
    3    H4*    G   1           H4*        G   1   9.202  -5.819  -1.476
    4    H3*    G   1           H3*        G   1   6.725  -4.214  -1.942
    5   1H2*    G   1          1H2*        G   1   5.545  -6.274  -2.152
    6   2HO*    G   1          2HO*        G   1   6.776  -8.307  -1.996
    7    H1*    G   1           H1*        G   1   6.681  -7.435   0.002
    8    H8     G   1           H8         G   1   5.782  -3.627   0.057
    9    H1     G   1           H1         G   1   1.637  -7.604   2.935
   10   1H2     G   1          1H2         G   1   2.439  -9.799   2.681
   11   2H2     G   1          2H2         G   1   3.947  -9.990   1.788
   12    H5T    G   1           H5T        G   1   8.593  -1.972  -0.275
   13   1H5*    G   2          1H5*        G   2   7.539  -7.788  -5.089
   14   2H5*    G   2          2H5*        G   2   7.315  -6.854  -6.570
   15    H4*    G   2           H4*        G   2   6.278  -8.812  -7.159
   16    H3*    G   2           H3*        G   2   4.167  -6.963  -6.038
   17   1H2*    G   2          1H2*        G   2   2.517  -8.577  -6.439
   18   2HO*    G   2          2HO*        G   2   2.844 -10.410  -7.675
   19    H1*    G   2           H1*        G   2   3.907 -10.684  -5.431
   20    H8     G   2           H8         G   2   5.154  -7.875  -3.386
   21    H1     G   2           H1         G   2  -0.551 -10.092  -1.425
   22   1H2     G   2          1H2         G   2  -1.540 -11.188  -3.137
   23   2H2     G   2          2H2         G   2  -0.629 -11.425  -4.645
   24   1H5*    C   3          1H5*        C   3   2.244  -8.103  -9.178
   25   2H5*    C   3          2H5*        C   3   1.565  -6.776 -10.140
   26    H4*    C   3           H4*        C   3  -0.220  -8.216  -9.281
   27    H3*    C   3           H3*        C   3  -0.069  -5.444  -8.116
   28   1H2*    C   3          1H2*        C   3  -1.930  -5.917  -6.768
   29   2HO*    C   3          2HO*        C   3  -3.258  -6.767  -8.408
   30    H1*    C   3           H1*        C   3  -1.439  -8.632  -6.361
   31   1H4     C   3          1H4         C   3   0.124  -6.082  -0.848
   32   2H4     C   3          2H4         C   3   1.596  -5.337  -1.472
   33    H5     C   3           H5         C   3   2.179  -5.476  -3.871
   34    H6     C   3           H6         C   3   1.429  -6.368  -6.044
   35   1H5*    G   4          1H5*        G   4  -4.067  -2.925  -8.718
   36   2H5*    G   4          2H5*        G   4  -2.819  -3.525  -7.610
   37    H4*    G   4           H4*        G   4  -5.586  -4.793  -7.782
   38    H3*    G   4           H3*        G   4  -4.697  -2.453  -6.168
   39   1H2*    G   4          1H2*        G   4  -6.021  -3.368  -4.335
   40   2HO*    G   4          2HO*        G   4  -7.399  -5.068  -4.572
   41    H1*    G   4           H1*        G   4  -5.055  -5.831  -4.508
   42    H8     G   4           H8         G   4  -1.974  -4.076  -5.601
   43    H1     G   4           H1         G   4  -3.146  -3.614   0.695
   44   1H2     G   4          1H2         G   4  -5.370  -3.838   1.036
   45   2H2     G   4          2H2         G   4  -6.382  -4.396  -0.322
   46   1H5*    U   5          1H5*        U   5  -8.738  -3.012  -5.419
   47   2H5*    U   5          2H5*        U   5  -9.668  -1.525  -5.651
   48    H4*    U   5           H4*        U   5  -9.986  -2.299  -3.359
   49    H3*    U   5           H3*        U   5  -8.316   0.152  -3.732
   50   1H2*    U   5          1H2*        U   5  -8.195   0.436  -1.383
   51   2HO*    U   5          2HO*        U   5 -10.448  -0.082  -1.004
   52    H1*    U   5           H1*        U   5  -7.916  -2.249  -0.806
   53    H3     U   5           H3         U   5  -3.947  -0.503   0.440
   54    H5     U   5           H5         U   5  -3.625  -0.864  -3.719
   55    H6     U   5           H6         U   5  -6.000  -1.461  -3.822
   56   1H5*    A   6          1H5*        A   6  -9.900   4.157  -2.422
   57   2H5*    A   6          2H5*        A   6  -8.564   2.990  -2.382
   58    H4*    A   6           H4*        A   6 -10.286   3.607   0.057
   59    H3*    A   6           H3*        A   6  -7.834   4.983  -1.042
   60   1H2*    A   6          1H2*        A   6  -6.987   5.250   1.165
   61   2HO*    A   6          2HO*        A   6  -9.229   5.700   1.984
   62    H1*    A   6           H1*        A   6  -7.583   2.745   2.024
   63    H8     A   6           H8         A   6  -6.640   2.296  -1.591
   64   1H6     A   6          1H6         A   6  -0.794   2.040   0.485
   65   2H6     A   6          2H6         A   6  -1.890   1.627  -0.827
   66    H2     A   6           H2         A   6  -3.302   3.713   3.730
   67   1H5*    C   7          1H5*        C   7  -9.192   8.143   1.483
   68   2H5*    C   7          2H5*        C   7  -8.727   9.671   0.709
   69    H4*    C   7           H4*        C   7  -7.511   9.209   2.810
   70    H3*    C   7           H3*        C   7  -5.721   9.309   0.349
   71   1H2*    C   7          1H2*        C   7  -3.952   9.358   1.961
   72   2HO*    C   7          2HO*        C   7  -4.726  10.535   3.646
   73    H1*    C   7           H1*        C   7  -4.889   7.135   3.222
   74   1H4     C   7          1H4         C   7  -1.491   4.786  -1.582
   75   2H4     C   7          2H4         C   7  -2.836   4.958  -2.703
   76    H5     C   7           H5         C   7  -4.933   6.080  -2.081
   77    H6     C   7           H6         C   7  -6.084   7.211  -0.277
   78   1H5*    G   8          1H5*        G   8  -5.549  13.155   2.782
   79   2H5*    G   8          2H5*        G   8  -4.710  14.479   1.952
   80    H4*    G   8           H4*        G   8  -3.682  13.824   4.134
   81    H3*    G   8           H3*        G   8  -1.886  13.150   1.760
   82   1H2*    G   8          1H2*        G   8  -0.247  12.765   3.417
   83   2HO*    G   8          2HO*        G   8  -0.550  13.328   5.622
   84    H1*    G   8           H1*        G   8  -2.322  11.833   5.267
   85    H8     G   8           H8         G   8  -2.138   9.862   2.185
   86    H1     G   8           H1         G   8   1.886   8.051   6.865
   87   1H2     G   8          1H2         G   8   2.009   9.786   8.406
   88   2H2     G   8          2H2         G   8   1.042  11.223   8.104
   89   1H5*    U   9          1H5*        U   9   0.169  16.107  -0.771
   90   2H5*    U   9          2H5*        U   9   1.064  14.960   0.246
   91    H4*    U   9           H4*        U   9   2.060  17.235  -0.796
   92    H3*    U   9           H3*        U   9   2.853  15.719   1.547
   93   1H2*    U   9          1H2*        U   9   3.807  17.350   2.826
   94   2HO*    U   9          2HO*        U   9   4.807  19.206   1.967
   95    H1*    U   9           H1*        U   9   2.456  19.597   1.890
   96    H3     U   9           H3         U   9   0.453  20.077   5.842
   97    H5     U   9           H5         U   9   0.310  15.943   5.332
   98    H6     U   9           H6         U   9   1.345  16.184   3.155
   99   1H5*    U  10          1H5*        U  10   4.824  13.131  -2.231
  100   2H5*    U  10          2H5*        U  10   3.214  12.472  -2.001
  101    H4*    U  10           H4*        U  10   4.804  11.149  -0.735
  102    H3*    U  10           H3*        U  10   2.568  12.461   0.545
  103   1H2*    U  10          1H2*        U  10   3.873  13.553   2.064
  104   2HO*    U  10          2HO*        U  10   4.351  12.096   3.938
  105    H1*    U  10           H1*        U  10   5.908  11.296   1.806
  106    H3     U  10           H3         U  10   8.718  13.275   4.816
  107    H5     U  10           H5         U  10   6.852  16.540   2.973
  108    H6     U  10           H6         U  10   5.576  14.929   1.580
  109   1H5*    U  11          1H5*        U  11   1.447   7.197   0.037
  110   2H5*    U  11          2H5*        U  11   3.052   7.920  -0.122
  111    H4*    U  11           H4*        U  11   2.684   6.888  -2.178
  112    H3*    U  11           H3*        U  11   2.930   9.678  -2.122
  113   1H2*    U  11          1H2*        U  11   0.650  10.101  -2.405
  114   2HO*    U  11          2HO*        U  11   0.294  10.439  -4.772
  115    H1*    U  11           H1*        U  11   0.508   7.783  -4.361
  116    H3     U  11           H3         U  11  -4.003   8.257  -4.896
  117    H5     U  11           H5         U  11  -3.372   9.419  -0.928
  118    H6     U  11           H6         U  11  -0.951   8.997  -1.255
  119   1H5*    C  12          1H5*        C  12   4.703   8.708  -1.519
  120   2H5*    C  12          2H5*        C  12   5.947   9.954  -1.759
  121    H4*    C  12           H4*        C  12   6.684   8.365  -0.190
  122    H3*    C  12           H3*        C  12   8.200   9.101  -2.297
  123   1H2*    C  12          1H2*        C  12   7.508   7.324  -3.742
  124   2HO*    C  12          2HO*        C  12   9.138   5.455  -3.412
  125    H1*    C  12           H1*        C  12   7.817   5.354  -1.528
  126   1H4     C  12          1H4         C  12   5.183   1.937  -5.994
  127   2H4     C  12          2H4         C  12   3.673   2.872  -6.049
  128    H5     C  12           H5         C  12   3.536   5.017  -4.784
  129    H6     C  12           H6         C  12   4.782   6.446  -3.209
  130   1H5*    G  13          1H5*        G  13   9.035   6.844   2.752
  131   2H5*    G  13          2H5*        G  13   8.472   6.255   1.166
  132    H4*    G  13           H4*        G  13   6.638   7.485   3.264
  133    H3*    G  13           H3*        G  13   7.080   4.571   2.485
  134   1H2*    G  13          1H2*        G  13   4.834   4.231   3.164
  135   2HO*    G  13          2HO*        G  13   4.024   5.436   4.855
  136    H1*    G  13           H1*        G  13   4.077   6.819   2.395
  137    H8     G  13           H8         G  13   5.414   4.718  -0.525
  138    H1     G  13           H1         G  13  -0.937   4.936   0.618
  139   1H2     G  13          1H2         G  13  -1.209   5.835   2.712
  140   2H2     G  13          2H2         G  13   0.273   6.106   3.647
  141   1H5*    U  14          1H5*        U  14   5.603   5.443   6.817
  142   2H5*    U  14          2H5*        U  14   5.919   4.057   7.877
  143    H4*    U  14           H4*        U  14   3.596   4.897   8.080
  144    H3*    U  14           H3*        U  14   3.858   2.117   6.908
  145   1H2*    U  14          1H2*        U  14   1.483   2.019   6.937
  146   2HO*    U  14          2HO*        U  14   1.111   2.785   9.019
  147    H1*    U  14           H1*        U  14   1.064   4.709   6.308
  148    H3     U  14           H3         U  14  -0.871   2.564   2.845
  149    H5     U  14           H5         U  14   3.220   1.937   2.204
  150    H6     U  14           H6         U  14   3.671   3.010   4.369
  151   1H5*    A  15          1H5*        A  15   1.171  -0.948   9.629
  152   2H5*    A  15          2H5*        A  15   1.523  -0.289   8.022
  153    H4*    A  15           H4*        A  15  -0.831   0.715   9.675
  154    H3*    A  15           H3*        A  15  -0.632  -1.641   7.792
  155   1H2*    A  15          1H2*        A  15  -2.840  -1.127   7.005
  156   2HO*    A  15          2HO*        A  15  -4.152   0.398   7.961
  157    H1*    A  15           H1*        A  15  -2.322   1.538   6.658
  158    H8     A  15           H8         A  15   0.939  -0.089   5.836
  159   1H6     A  15          1H6         A  15  -1.580  -0.767   0.174
  160   2H6     A  15          2H6         A  15  -0.095  -0.898   1.116
  161    H2     A  15           H2         A  15  -4.825   0.161   2.980
  162   1H5*    C  16          1H5*        C  16  -4.400  -2.127   9.230
  163   2H5*    C  16          2H5*        C  16  -4.746  -3.805   9.693
  164    H4*    C  16           H4*        C  16  -6.269  -3.086   7.913
  165    H3*    C  16           H3*        C  16  -4.182  -5.050   6.954
  166   1H2*    C  16          1H2*        C  16  -5.484  -5.163   4.934
  167   2HO*    C  16          2HO*        C  16  -7.488  -4.384   4.727
  168    H1*    C  16           H1*        C  16  -5.758  -2.447   4.769
  169   1H4     C  16          1H4         C  16  -0.805  -3.823   1.239
  170   2H4     C  16          2H4         C  16   0.271  -4.229   2.589
  171    H5     C  16           H5         C  16  -0.543  -3.883   4.931
  172    H6     C  16           H6         C  16  -2.575  -3.470   6.276
  173   1H5*    G  17          1H5*        G  17  -8.080  -6.509   6.033
  174   2H5*    G  17          2H5*        G  17  -8.181  -8.272   6.184
  175    H4*    G  17           H4*        G  17  -8.924  -7.476   3.954
  176    H3*    G  17           H3*        G  17  -6.403  -9.130   4.051
  177   1H2*    G  17          1H2*        G  17  -6.510  -9.207   1.648
  178   2HO*    G  17          2HO*        G  17  -8.270  -8.569   0.488
  179    H1*    G  17           H1*        G  17  -7.055  -6.543   1.394
  180    H8     G  17           H8         G  17  -4.631  -6.903   4.273
  181    H1     G  17           H1         G  17  -1.898  -7.217  -1.526
  182   1H2     G  17          1H2         G  17  -3.474  -7.918  -3.026
  183   2H2     G  17          2H2         G  17  -5.155  -8.103  -2.473
  184   1H5*    C  18          1H5*        C  18  -8.743 -11.132   1.190
  185   2H5*    C  18          2H5*        C  18  -8.826 -12.846   1.634
  186    H4*    C  18           H4*        C  18  -8.017 -12.781  -0.614
  187    H3*    C  18           H3*        C  18  -5.702 -13.178   1.309
  188   1H2*    C  18          1H2*        C  18  -4.424 -13.762  -0.655
  189   2HO*    C  18          2HO*        C  18  -5.342 -13.895  -2.685
  190    H1*    C  18           H1*        C  18  -5.328 -11.527  -1.979
  191   1H4     C  18          1H4         C  18  -0.433  -9.016   0.690
  192   2H4     C  18          2H4         C  18  -1.192  -8.843   2.276
  193    H5     C  18           H5         C  18  -3.314  -9.996   2.770
  194    H6     C  18           H6         C  18  -5.200 -11.045   1.644
  195   1H5*    C  19          1H5*        C  19  -5.268 -16.173  -1.324
  196   2H5*    C  19          2H5*        C  19  -5.104 -17.699  -0.468
  197    H4*    C  19           H4*        C  19  -3.304 -17.551  -2.016
  198    H3*    C  19           H3*        C  19  -2.369 -17.089   0.833
  199   1H2*    C  19          1H2*        C  19  -0.169 -16.987  -0.023
  200   2HO*    C  19          2HO*        C  19   0.352 -17.882  -2.081
  201    H1*    C  19           H1*        C  19  -0.837 -15.822  -2.524
  202   1H4     C  19          1H4         C  19   1.657 -11.168   0.602
  203   2H4     C  19          2H4         C  19   0.223 -10.869   1.572
  204    H5     C  19           H5         C  19  -1.454 -12.683   1.842
  205    H6     C  19           H6         C  19  -2.379 -14.585   0.547
  206    H3T    C  19           H3T        C  19  -1.666 -19.240   0.485
   
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1   9.618  -1.163  -2.663
    2   2H5*    G   1          2H5*        G   1  10.452  -2.711  -2.898
    3    H4*    G   1           H4*        G   1   8.347  -3.166  -1.866
    4    H3*    G   1           H3*        G   1   8.544  -3.999  -4.718
    5   1H2*    G   1          1H2*        G   1   6.212  -4.608  -4.760
    6   2HO*    G   1          2HO*        G   1   6.738  -5.177  -2.272
    7    H1*    G   1           H1*        G   1   5.194  -2.634  -3.331
    8    H8     G   1           H8         G   1   7.863  -2.547  -6.214
    9    H1     G   1           H1         G   1   2.803   1.335  -6.970
   10   1H2     G   1          1H2         G   1   1.436   1.142  -5.097
   11   2H2     G   1          2H2         G   1   1.949   0.031  -3.834
   12    H5T    G   1           H5T        G   1  10.563  -1.367  -4.753
   13   1H5*    G   2          1H5*        G   2   7.973  -7.939  -6.284
   14   2H5*    G   2          2H5*        G   2   7.487  -6.254  -6.551
   15    H4*    G   2           H4*        G   2   5.962  -8.137  -7.461
   16    H3*    G   2           H3*        G   2   4.832  -5.924  -5.745
   17   1H2*    G   2          1H2*        G   2   2.693  -6.901  -6.032
   18   2HO*    G   2          2HO*        G   2   2.171  -8.036  -7.694
   19    H1*    G   2           H1*        G   2   3.493  -9.476  -5.629
   20    H8     G   2           H8         G   2   4.911  -6.430  -3.593
   21    H1     G   2           H1         G   2  -0.047  -9.596  -0.986
   22   1H2     G   2          1H2         G   2  -0.959 -10.947  -2.569
   23   2H2     G   2          2H2         G   2  -0.113 -11.104  -4.127
   24   1H5*    C   3          1H5*        C   3   2.511  -6.636  -9.407
   25   2H5*    C   3          2H5*        C   3   1.723  -5.179 -10.023
   26    H4*    C   3           H4*        C   3   0.108  -7.013  -9.426
   27    H3*    C   3           H3*        C   3  -0.047  -4.349  -8.052
   28   1H2*    C   3          1H2*        C   3  -1.869  -5.101  -6.779
   29   2HO*    C   3          2HO*        C   3  -3.081  -5.954  -8.503
   30    H1*    C   3           H1*        C   3  -1.139  -7.776  -6.538
   31   1H4     C   3          1H4         C   3   0.282  -5.481  -0.812
   32   2H4     C   3          2H4         C   3   1.627  -4.550  -1.459
   33    H5     C   3           H5         C   3   2.055  -4.327  -3.843
   34    H6     C   3           H6         C   3   1.331  -5.074  -6.057
   35   1H5*    G   4          1H5*        G   4  -4.240  -2.199  -8.576
   36   2H5*    G   4          2H5*        G   4  -2.939  -2.732  -7.494
   37    H4*    G   4           H4*        G   4  -5.578  -4.239  -7.744
   38    H3*    G   4           H3*        G   4  -4.873  -1.924  -6.004
   39   1H2*    G   4          1H2*        G   4  -6.093  -3.035  -4.211
   40   2HO*    G   4          2HO*        G   4  -7.328  -4.840  -4.533
   41    H1*    G   4           H1*        G   4  -4.945  -5.406  -4.530
   42    H8     G   4           H8         G   4  -2.034  -3.313  -5.540
   43    H1     G   4           H1         G   4  -3.123  -3.385   0.787
   44   1H2     G   4          1H2         G   4  -5.321  -3.826   1.126
   45   2H2     G   4          2H2         G   4  -6.295  -4.408  -0.249
   46   1H5*    U   5          1H5*        U   5  -8.830  -2.774  -5.246
   47   2H5*    U   5          2H5*        U   5  -9.861  -1.344  -5.405
   48    H4*    U   5           H4*        U   5 -10.088  -2.211  -3.141
   49    H3*    U   5           H3*        U   5  -8.559   0.339  -3.444
   50   1H2*    U   5          1H2*        U   5  -8.373   0.539  -1.098
   51   2HO*    U   5          2HO*        U   5 -10.642  -0.162  -0.790
   52    H1*    U   5           H1*        U   5  -7.980  -2.165  -0.633
   53    H3     U   5           H3         U   5  -4.082  -0.282   0.632
   54    H5     U   5           H5         U   5  -3.810  -0.440  -3.549
   55    H6     U   5           H6         U   5  -6.160  -1.140  -3.639
   56   1H5*    A   6          1H5*        A   6 -10.203   4.250  -2.226
   57   2H5*    A   6          2H5*        A   6  -8.843   3.114  -2.167
   58    H4*    A   6           H4*        A   6 -10.507   3.854   0.286
   59    H3*    A   6           H3*        A   6  -8.053   5.090  -0.955
   60   1H2*    A   6          1H2*        A   6  -7.196   5.557   1.221
   61   2HO*    A   6          2HO*        A   6  -8.406   5.596   3.007
   62    H1*    A   6           H1*        A   6  -7.770   3.091   2.231
   63    H8     A   6           H8         A   6  -6.894   2.476  -1.376
   64   1H6     A   6          1H6         A   6  -1.004   2.366   0.652
   65   2H6     A   6          2H6         A   6  -2.088   1.899  -0.652
   66    H2     A   6           H2         A   6  -3.493   3.986   3.881
   67   1H5*    C   7          1H5*        C   7  -9.148   8.202   1.648
   68   2H5*    C   7          2H5*        C   7  -8.757   9.730   0.829
   69    H4*    C   7           H4*        C   7  -7.464   9.414   2.891
   70    H3*    C   7           H3*        C   7  -5.769   9.363   0.371
   71   1H2*    C   7          1H2*        C   7  -3.944   9.655   1.915
   72   2HO*    C   7          2HO*        C   7  -4.292   9.745   4.151
   73    H1*    C   7           H1*        C   7  -4.758   7.444   3.317
   74   1H4     C   7          1H4         C   7  -1.513   4.936  -1.476
   75   2H4     C   7          2H4         C   7  -2.904   5.022  -2.562
   76    H5     C   7           H5         C   7  -4.963   6.130  -1.916
   77    H6     C   7           H6         C   7  -6.103   7.234  -0.074
   78   1H5*    G   8          1H5*        G   8  -5.558  14.108   1.463
   79   2H5*    G   8          2H5*        G   8  -4.487  14.765   0.215
   80    H4*    G   8           H4*        G   8  -3.568  14.921   2.534
   81    H3*    G   8           H3*        G   8  -2.059  12.901   0.849
   82   1H2*    G   8          1H2*        G   8  -0.438  13.049   2.668
   83   2HO*    G   8          2HO*        G   8  -0.692  14.576   4.357
   84    H1*    G   8           H1*        G   8  -2.576  12.946   4.543
   85    H8     G   8           H8         G   8  -2.215  10.807   1.494
   86    H1     G   8           H1         G   8   1.208   9.069   6.654
   87   1H2     G   8          1H2         G   8   0.624  10.549   8.317
   88   2H2     G   8          2H2         G   8  -0.850  11.482   8.118
   89   1H5*    U   9          1H5*        U   9   0.711  17.133   1.184
   90   2H5*    U   9          2H5*        U   9   1.853  16.764  -0.112
   91    H4*    U   9           H4*        U   9   3.104  17.575   1.738
   92    H3*    U   9           H3*        U   9   3.233  14.603   1.633
   93   1H2*    U   9          1H2*        U   9   4.738  14.659   3.373
   94   2HO*    U   9          2HO*        U   9   5.944  16.501   3.951
   95    H1*    U   9           H1*        U   9   3.578  16.985   4.579
   96    H3     U   9           H3         U   9   3.382  13.994   8.003
   97    H5     U   9           H5         U   9   1.592  11.909   4.851
   98    H6     U   9           H6         U   9   2.001  13.878   3.397
   99   1H5*    U  10          1H5*        U  10   2.832  12.716  -1.326
  100   2H5*    U  10          2H5*        U  10   2.837  13.145   0.387
  101    H4*    U  10           H4*        U  10   4.151  10.716  -0.933
  102    H3*    U  10           H3*        U  10   1.693  11.269   0.612
  103   1H2*    U  10          1H2*        U  10   2.475  10.682   2.643
  104   2HO*    U  10          2HO*        U  10   2.166   8.521   2.993
  105    H1*    U  10           H1*        U  10   4.838   9.216   1.529
  106    H3     U  10           H3         U  10   6.368   9.176   5.829
  107    H5     U  10           H5         U  10   5.156  13.140   5.245
  108    H6     U  10           H6         U  10   4.338  12.503   3.022
  109   1H5*    U  11          1H5*        U  11   0.590   6.561  -2.438
  110   2H5*    U  11          2H5*        U  11   2.062   7.310  -1.799
  111    H4*    U  11           H4*        U  11   2.543   6.938  -4.051
  112    H3*    U  11           H3*        U  11   2.498   9.553  -3.095
  113   1H2*    U  11          1H2*        U  11   0.413  10.142  -3.958
  114   2HO*    U  11          2HO*        U  11   0.789  11.194  -6.099
  115    H1*    U  11           H1*        U  11   0.944   8.640  -6.507
  116    H3     U  11           H3         U  11  -3.290   9.531  -7.920
  117    H5     U  11           H5         U  11  -3.759   8.873  -3.809
  118    H6     U  11           H6         U  11  -1.326   8.505  -3.661
  119   1H5*    C  12          1H5*        C  12   4.024   8.536  -2.137
  120   2H5*    C  12          2H5*        C  12   5.479   9.345  -1.524
  121    H4*    C  12           H4*        C  12   5.452   7.136  -0.700
  122    H3*    C  12           H3*        C  12   7.551   8.248  -2.039
  123   1H2*    C  12          1H2*        C  12   7.160   7.087  -4.092
  124   2HO*    C  12          2HO*        C  12   8.247   4.801  -3.895
  125    H1*    C  12           H1*        C  12   6.351   4.633  -2.579
  126   1H4     C  12          1H4         C  12   4.708   2.707  -8.255
  127   2H4     C  12          2H4         C  12   3.731   4.146  -8.611
  128    H5     C  12           H5         C  12   3.695   6.059  -7.053
  129    H6     C  12           H6         C  12   4.553   6.853  -4.867
  130   1H5*    G  13          1H5*        G  13   9.339   5.619   2.935
  131   2H5*    G  13          2H5*        G  13   8.862   4.600   1.572
  132    H4*    G  13           H4*        G  13   7.176   6.867   2.722
  133    H3*    G  13           H3*        G  13   7.158   3.875   3.207
  134   1H2*    G  13          1H2*        G  13   4.920   3.772   2.938
  135   2HO*    G  13          2HO*        G  13   3.504   5.601   3.601
  136    H1*    G  13           H1*        G  13   4.819   6.614   2.162
  137    H8     G  13           H8         G  13   5.299   4.409  -0.749
  138    H1     G  13           H1         G  13  -0.855   5.317   0.895
  139   1H2     G  13          1H2         G  13  -0.911   6.436   2.835
  140   2H2     G  13          2H2         G  13   0.626   6.806   3.644
  141   1H5*    U  14          1H5*        U  14   4.959   6.110   6.768
  142   2H5*    U  14          2H5*        U  14   5.308   5.150   8.220
  143    H4*    U  14           H4*        U  14   2.983   5.604   8.274
  144    H3*    U  14           H3*        U  14   3.432   2.778   7.262
  145   1H2*    U  14          1H2*        U  14   1.085   2.534   7.200
  146   2HO*    U  14          2HO*        U  14   0.588   3.371   9.236
  147    H1*    U  14           H1*        U  14   0.508   5.151   6.449
  148    H3     U  14           H3         U  14  -1.132   2.908   2.938
  149    H5     U  14           H5         U  14   2.984   2.228   2.603
  150    H6     U  14           H6         U  14   3.304   3.436   4.719
  151   1H5*    A  15          1H5*        A  15   0.885  -0.336   9.970
  152   2H5*    A  15          2H5*        A  15   1.249   0.302   8.356
  153    H4*    A  15           H4*        A  15  -1.238   1.147   9.901
  154    H3*    A  15           H3*        A  15  -0.797  -1.172   8.009
  155   1H2*    A  15          1H2*        A  15  -3.045  -0.830   7.211
  156   2HO*    A  15          2HO*        A  15  -4.461   0.613   8.161
  157    H1*    A  15           H1*        A  15  -2.699   1.867   6.885
  158    H8     A  15           H8         A  15   0.661   0.401   6.098
  159   1H6     A  15          1H6         A  15  -1.764  -0.388   0.401
  160   2H6     A  15          2H6         A  15  -0.280  -0.351   1.346
  161    H2     A  15           H2         A  15  -5.076   0.416   3.168
  162   1H5*    C  16          1H5*        C  16  -4.529  -1.953   9.297
  163   2H5*    C  16          2H5*        C  16  -4.741  -3.648   9.773
  164    H4*    C  16           H4*        C  16  -6.295  -3.099   7.973
  165    H3*    C  16           H3*        C  16  -4.008  -4.846   7.043
  166   1H2*    C  16          1H2*        C  16  -5.300  -5.121   5.014
  167   2HO*    C  16          2HO*        C  16  -7.369  -4.524   4.807
  168    H1*    C  16           H1*        C  16  -5.827  -2.448   4.826
  169   1H4     C  16          1H4         C  16  -0.758  -3.295   1.347
  170   2H4     C  16          2H4         C  16   0.376  -3.325   2.712
  171    H5     C  16           H5         C  16  -0.500  -3.274   5.047
  172    H6     C  16           H6         C  16  -2.577  -3.106   6.366
  173   1H5*    G  17          1H5*        G  17  -7.718  -6.696   6.174
  174   2H5*    G  17          2H5*        G  17  -7.649  -8.451   6.403
  175    H4*    G  17           H4*        G  17  -8.462  -7.851   4.145
  176    H3*    G  17           H3*        G  17  -5.761  -9.191   4.306
  177   1H2*    G  17          1H2*        G  17  -5.888  -9.432   1.920
  178   2HO*    G  17          2HO*        G  17  -7.730  -9.189   0.779
  179    H1*    G  17           H1*        G  17  -6.770  -6.868   1.529
  180    H8     G  17           H8         G  17  -4.290  -6.789   4.361
  181    H1     G  17           H1         G  17  -1.566  -6.814  -1.446
  182   1H2     G  17          1H2         G  17  -3.049  -7.639  -2.970
  183   2H2     G  17          2H2         G  17  -4.675  -8.082  -2.414
  184   1H5*    C  18          1H5*        C  18  -7.834 -11.968   2.042
  185   2H5*    C  18          2H5*        C  18  -7.549 -13.599   2.686
  186    H4*    C  18           H4*        C  18  -6.794 -13.613   0.411
  187    H3*    C  18           H3*        C  18  -4.411 -13.282   2.261
  188   1H2*    C  18          1H2*        C  18  -3.087 -13.743   0.295
  189   2HO*    C  18          2HO*        C  18  -3.971 -14.328  -1.645
  190    H1*    C  18           H1*        C  18  -4.527 -11.936  -1.187
  191   1H4     C  18          1H4         C  18  -0.038  -8.320   0.995
  192   2H4     C  18          2H4         C  18  -0.808  -8.097   2.570
  193    H5     C  18           H5         C  18  -2.627  -9.602   3.290
  194    H6     C  18           H6         C  18  -4.361 -11.070   2.362
  195   1H5*    C  19          1H5*        C  19  -3.473 -16.391  -0.134
  196   2H5*    C  19          2H5*        C  19  -2.691 -17.684   0.763
  197    H4*    C  19           H4*        C  19  -1.324 -17.016  -1.119
  198    H3*    C  19           H3*        C  19  -0.127 -16.313   1.574
  199   1H2*    C  19          1H2*        C  19   1.807 -15.632   0.377
  200   2HO*    C  19          2HO*        C  19   2.167 -16.322  -1.794
  201    H1*    C  19           H1*        C  19   0.440 -14.649  -1.903
  202   1H4     C  19          1H4         C  19   2.432  -9.773   1.288
  203   2H4     C  19          2H4         C  19   1.210  -9.871   2.538
  204    H5     C  19           H5         C  19  -0.163 -11.926   2.744
  205    H6     C  19           H6         C  19  -0.880 -13.902   1.413
  206    H3T    C  19           H3T        C  19   1.078 -18.187   1.033
   
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1   9.315  -6.717   0.808
    2   2H5*    G   1          2H5*        G   1   9.576  -6.552  -0.940
    3    H4*    G   1           H4*        G   1   8.622  -8.716  -0.546
    4    H3*    G   1           H3*        G   1   6.597  -6.815  -1.645
    5   1H2*    G   1          1H2*        G   1   5.128  -8.701  -1.825
    6   2HO*    G   1          2HO*        G   1   5.924 -10.792  -0.924
    7    H1*    G   1           H1*        G   1   5.461  -9.417   0.743
    8    H8     G   1           H8         G   1   3.398  -7.692  -1.161
    9    H1     G   1           H1         G   1   3.933  -4.159   4.168
   10   1H2     G   1          1H2         G   1   5.876  -4.805   5.297
   11   2H2     G   1          2H2         G   1   6.842  -6.079   4.548
   12    H5T    G   1           H5T        G   1   8.629  -4.681  -0.016
   13   1H5*    G   2          1H5*        G   2   6.948 -10.991  -4.304
   14   2H5*    G   2          2H5*        G   2   6.934 -10.184  -5.875
   15    H4*    G   2           H4*        G   2   5.522 -11.920  -6.315
   16    H3*    G   2           H3*        G   2   3.812  -9.608  -5.401
   17   1H2*    G   2          1H2*        G   2   1.878 -10.915  -5.752
   18   2HO*    G   2          2HO*        G   2   1.912 -12.921  -6.771
   19    H1*    G   2           H1*        G   2   2.796 -13.122  -4.478
   20    H8     G   2           H8         G   2   4.599 -10.503  -2.686
   21    H1     G   2           H1         G   2  -1.539 -10.897  -0.836
   22   1H2     G   2          1H2         G   2  -2.699 -12.090  -2.368
   23   2H2     G   2          2H2         G   2  -1.830 -12.757  -3.770
   24   1H5*    C   3          1H5*        C   3   1.686 -10.699  -8.396
   25   2H5*    C   3          2H5*        C   3   1.254  -9.400  -9.518
   26    H4*    C   3           H4*        C   3  -0.744 -10.434  -8.502
   27    H3*    C   3           H3*        C   3  -0.160  -7.561  -7.826
   28   1H2*    C   3          1H2*        C   3  -2.097  -7.495  -6.496
   29   2HO*    C   3          2HO*        C   3  -3.522  -8.401  -8.014
   30    H1*    C   3           H1*        C   3  -2.052 -10.136  -5.605
   31   1H4     C   3          1H4         C   3  -0.288  -6.890  -0.583
   32   2H4     C   3          2H4         C   3   1.346  -6.557  -1.105
   33    H5     C   3           H5         C   3   2.019  -7.315  -3.465
   34    H6     C   3           H6         C   3   1.189  -8.472  -5.482
   35   1H5*    G   4          1H5*        G   4  -3.661  -4.586  -9.051
   36   2H5*    G   4          2H5*        G   4  -2.551  -5.169  -7.800
   37    H4*    G   4           H4*        G   4  -5.504  -5.934  -7.868
   38    H3*    G   4           H3*        G   4  -4.163  -3.585  -6.605
   39   1H2*    G   4          1H2*        G   4  -5.649  -3.897  -4.710
   40   2HO*    G   4          2HO*        G   4  -7.374  -5.261  -4.732
   41    H1*    G   4           H1*        G   4  -5.204  -6.507  -4.449
   42    H8     G   4           H8         G   4  -1.858  -5.452  -5.724
   43    H1     G   4           H1         G   4  -2.953  -3.689   0.355
   44   1H2     G   4          1H2         G   4  -5.169  -3.768   0.761
   45   2H2     G   4          2H2         G   4  -6.237  -4.440  -0.494
   46   1H5*    U   5          1H5*        U   5  -8.250  -3.047  -5.995
   47   2H5*    U   5          2H5*        U   5  -8.783  -1.432  -6.502
   48    H4*    U   5           H4*        U   5  -9.324  -1.718  -4.141
   49    H3*    U   5           H3*        U   5  -7.010   0.097  -4.678
   50   1H2*    U   5          1H2*        U   5  -7.000   0.685  -2.388
   51   2HO*    U   5          2HO*        U   5  -8.712   0.628  -1.206
   52    H1*    U   5           H1*        U   5  -7.292  -1.903  -1.518
   53    H3     U   5           H3         U   5  -3.104  -0.430  -0.494
   54    H5     U   5           H5         U   5  -2.819  -1.749  -4.460
   55    H6     U   5           H6         U   5  -5.232  -2.016  -4.512
   56   1H5*    A   6          1H5*        A   6 -10.110   2.055  -2.350
   57   2H5*    A   6          2H5*        A   6 -10.294   3.773  -2.741
   58    H4*    A   6           H4*        A   6  -9.818   3.398  -0.317
   59    H3*    A   6           H3*        A   6  -7.762   4.881  -1.954
   60   1H2*    A   6          1H2*        A   6  -6.527   5.244   0.035
   61   2HO*    A   6          2HO*        A   6  -7.512   5.556   1.828
   62    H1*    A   6           H1*        A   6  -6.897   2.751   1.083
   63    H8     A   6           H8         A   6  -6.210   2.760  -2.713
   64   1H6     A   6          1H6         A   6  -0.256   2.291  -0.904
   65   2H6     A   6          2H6         A   6  -1.356   2.126  -2.273
   66    H2     A   6           H2         A   6  -2.656   3.411   2.603
   67   1H5*    C   7          1H5*        C   7  -8.982   7.361   1.424
   68   2H5*    C   7          2H5*        C   7  -8.765   9.080   1.024
   69    H4*    C   7           H4*        C   7  -7.400   8.324   2.955
   70    H3*    C   7           H3*        C   7  -5.791   9.319   0.567
   71   1H2*    C   7          1H2*        C   7  -3.945   9.244   2.083
   72   2HO*    C   7          2HO*        C   7  -4.695   9.805   4.043
   73    H1*    C   7           H1*        C   7  -4.473   6.674   2.811
   74   1H4     C   7          1H4         C   7  -1.219   5.571  -2.534
   75   2H4     C   7          2H4         C   7  -2.641   5.920  -3.507
   76    H5     C   7           H5         C   7  -4.691   6.801  -2.593
   77    H6     C   7           H6         C   7  -5.802   7.485  -0.569
   78   1H5*    G   8          1H5*        G   8  -6.086  12.142   4.041
   79   2H5*    G   8          2H5*        G   8  -5.633  13.827   3.716
   80    H4*    G   8           H4*        G   8  -4.286  12.726   5.534
   81    H3*    G   8           H3*        G   8  -2.738  13.493   3.032
   82   1H2*    G   8          1H2*        G   8  -0.849  12.674   4.015
   83   2HO*    G   8          2HO*        G   8  -0.597  12.413   6.318
   84    H1*    G   8           H1*        G   8  -2.424  10.982   5.886
   85    H8     G   8           H8         G   8  -2.214  10.023   2.371
   86    H1     G   8           H1         G   8   2.453   7.658   6.120
   87   1H2     G   8          1H2         G   8   2.462   8.905   8.082
   88   2H2     G   8          2H2         G   8   1.265  10.182   8.253
   89   1H5*    U   9          1H5*        U   9  -2.099  17.409   1.636
   90   2H5*    U   9          2H5*        U   9  -1.316  15.834   1.533
   91    H4*    U   9           H4*        U   9   0.046  18.067   1.092
   92    H3*    U   9           H3*        U   9   0.940  15.723   2.684
   93   1H2*    U   9          1H2*        U   9   2.675  16.727   3.617
   94   2HO*    U   9          2HO*        U   9   3.685  18.699   2.696
   95    H1*    U   9           H1*        U   9   1.779  19.399   3.645
   96    H3     U   9           H3         U   9   2.378  18.920   8.082
   97    H5     U   9           H5         U   9   0.202  15.484   7.123
   98    H6     U   9           H6         U   9   0.219  16.166   4.782
   99   1H5*    U  10          1H5*        U  10   3.679  15.241   1.116
  100   2H5*    U  10          2H5*        U  10   4.481  15.059  -0.443
  101    H4*    U  10           H4*        U  10   5.016  12.754   0.035
  102    H3*    U  10           H3*        U  10   2.615  12.777   1.519
  103   1H2*    U  10          1H2*        U  10   3.324  13.688   3.438
  104   2HO*    U  10          2HO*        U  10   4.359  11.973   4.876
  105    H1*    U  10           H1*        U  10   6.078  12.493   3.228
  106    H3     U  10           H3         U  10   6.708  14.808   7.110
  107    H5     U  10           H5         U  10   4.476  17.458   4.754
  108    H6     U  10           H6         U  10   4.617  15.844   2.911
  109   1H5*    U  11          1H5*        U  11   2.333   8.309  -0.901
  110   2H5*    U  11          2H5*        U  11   3.814   9.244  -0.651
  111    H4*    U  11           H4*        U  11   3.455   9.339  -2.925
  112    H3*    U  11           H3*        U  11   3.343  11.751  -1.549
  113   1H2*    U  11          1H2*        U  11   1.010  11.892  -1.493
  114   2HO*    U  11          2HO*        U  11   0.427  13.189  -3.569
  115    H1*    U  11           H1*        U  11   0.901  10.900  -4.360
  116    H3     U  11           H3         U  11  -3.658  10.815  -4.256
  117    H5     U  11           H5         U  11  -2.508   9.388  -0.488
  118    H6     U  11           H6         U  11  -0.188   9.840  -1.072
  119   1H5*    C  12          1H5*        C  12   5.179  10.896  -1.219
  120   2H5*    C  12          2H5*        C  12   6.489  12.099  -1.128
  121    H4*    C  12           H4*        C  12   7.317  10.004  -0.318
  122    H3*    C  12           H3*        C  12   8.394  11.467  -2.381
  123   1H2*    C  12          1H2*        C  12   7.696  10.091  -4.109
  124   2HO*    C  12          2HO*        C  12   9.370   8.272  -4.449
  125    H1*    C  12           H1*        C  12   8.082   7.611  -2.484
  126   1H4     C  12          1H4         C  12   4.885   5.061  -7.106
  127   2H4     C  12          2H4         C  12   3.560   6.242  -7.097
  128    H5     C  12           H5         C  12   3.787   8.295  -5.715
  129    H6     C  12           H6         C  12   5.209   9.377  -4.038
  130   1H5*    G  13          1H5*        G  13   9.664   6.878   1.586
  131   2H5*    G  13          2H5*        G  13   9.090   6.391  -0.030
  132    H4*    G  13           H4*        G  13   7.335   7.598   2.156
  133    H3*    G  13           H3*        G  13   7.546   4.806   0.982
  134   1H2*    G  13          1H2*        G  13   5.255   4.604   1.222
  135   2HO*    G  13          2HO*        G  13   4.037   5.922   2.745
  136    H1*    G  13           H1*        G  13   4.861   7.458   1.279
  137    H8     G  13           H8         G  13   5.697   6.386  -2.130
  138    H1     G  13           H1         G  13  -0.466   5.488  -0.416
  139   1H2     G  13          1H2         G  13  -0.638   5.967   1.789
  140   2H2     G  13          2H2         G  13   0.878   6.277   2.653
  141   1H5*    U  14          1H5*        U  14   6.117   5.209   5.482
  142   2H5*    U  14          2H5*        U  14   6.468   3.708   6.364
  143    H4*    U  14           H4*        U  14   4.227   4.514   6.922
  144    H3*    U  14           H3*        U  14   4.196   2.039   5.193
  145   1H2*    U  14          1H2*        U  14   1.814   2.031   5.475
  146   2HO*    U  14          2HO*        U  14   0.843   2.922   7.076
  147    H1*    U  14           H1*        U  14   1.516   4.713   5.039
  148    H3     U  14           H3         U  14  -0.285   2.564   1.487
  149    H5     U  14           H5         U  14   3.814   2.616   0.662
  150    H6     U  14           H6         U  14   4.203   3.536   2.910
  151   1H5*    A  15          1H5*        A  15   1.698   1.670   8.818
  152   2H5*    A  15          2H5*        A  15   1.491   0.000   9.359
  153    H4*    A  15           H4*        A  15  -0.673   1.202   8.803
  154    H3*    A  15           H3*        A  15   0.073  -1.294   7.291
  155   1H2*    A  15          1H2*        A  15  -2.057  -1.172   6.209
  156   2HO*    A  15          2HO*        A  15  -3.731  -0.211   7.028
  157    H1*    A  15           H1*        A  15  -1.964   1.514   5.733
  158    H8     A  15           H8         A  15   1.463  -0.107   5.156
  159   1H6     A  15          1H6         A  15  -0.754  -0.874  -0.645
  160   2H6     A  15          2H6         A  15   0.701  -0.945   0.353
  161    H2     A  15           H2         A  15  -4.117   0.151   1.965
  162   1H5*    C  16          1H5*        C  16  -3.926  -1.626   8.890
  163   2H5*    C  16          2H5*        C  16  -4.315  -3.270   9.416
  164    H4*    C  16           H4*        C  16  -5.872  -2.487   7.651
  165    H3*    C  16           H3*        C  16  -4.011  -4.729   6.877
  166   1H2*    C  16          1H2*        C  16  -5.273  -4.901   4.852
  167   2HO*    C  16          2HO*        C  16  -7.311  -4.491   4.834
  168    H1*    C  16           H1*        C  16  -5.455  -2.224   4.445
  169   1H4     C  16          1H4         C  16  -0.604  -3.836   0.874
  170   2H4     C  16          2H4         C  16   0.548  -3.938   2.214
  171    H5     C  16           H5         C  16  -0.278  -3.768   4.555
  172    H6     C  16           H6         C  16  -2.279  -3.345   5.933
  173   1H5*    G  17          1H5*        G  17  -8.247  -5.841   6.409
  174   2H5*    G  17          2H5*        G  17  -8.491  -7.562   6.765
  175    H4*    G  17           H4*        G  17  -9.308  -6.947   4.490
  176    H3*    G  17           H3*        G  17  -6.948  -8.819   4.678
  177   1H2*    G  17          1H2*        G  17  -7.150  -9.151   2.311
  178   2HO*    G  17          2HO*        G  17  -8.904  -8.545   1.144
  179    H1*    G  17           H1*        G  17  -7.489  -6.495   1.758
  180    H8     G  17           H8         G  17  -4.977  -6.846   4.588
  181    H1     G  17           H1         G  17  -2.447  -7.790  -1.198
  182   1H2     G  17          1H2         G  17  -4.086  -8.502  -2.601
  183   2H2     G  17          2H2         G  17  -5.775  -8.497  -2.036
  184   1H5*    C  18          1H5*        C  18  -9.645 -10.959   2.238
  185   2H5*    C  18          2H5*        C  18  -9.826 -12.597   2.897
  186    H4*    C  18           H4*        C  18  -9.153 -12.859   0.615
  187    H3*    C  18           H3*        C  18  -6.761 -13.224   2.450
  188   1H2*    C  18          1H2*        C  18  -5.651 -14.118   0.496
  189   2HO*    C  18          2HO*        C  18  -6.695 -14.412  -1.446
  190    H1*    C  18           H1*        C  18  -6.467 -11.979  -1.023
  191   1H4     C  18          1H4         C  18  -1.196  -9.618   1.131
  192   2H4     C  18          2H4         C  18  -1.873  -9.158   2.700
  193    H5     C  18           H5         C  18  -4.075 -10.088   3.408
  194    H6     C  18           H6         C  18  -6.084 -11.130   2.515
  195   1H5*    C  19          1H5*        C  19  -6.758 -16.520   0.128
  196   2H5*    C  19          2H5*        C  19  -6.584 -17.962   1.117
  197    H4*    C  19           H4*        C  19  -4.926 -18.029  -0.607
  198    H3*    C  19           H3*        C  19  -3.742 -17.444   2.122
  199   1H2*    C  19          1H2*        C  19  -1.613 -17.541   1.098
  200   2HO*    C  19          2HO*        C  19  -1.312 -18.579  -0.935
  201    H1*    C  19           H1*        C  19  -2.396 -16.464  -1.403
  202   1H4     C  19          1H4         C  19   0.665 -11.912   1.446
  203   2H4     C  19          2H4         C  19  -0.659 -11.477   2.505
  204    H5     C  19           H5         C  19  -2.542 -13.078   2.820
  205    H6     C  19           H6         C  19  -3.671 -14.963   1.674
  206    H3T    C  19           H3T        C  19  -3.190 -19.654   1.867
   
   
  No H/Q in entry =         206