*HEADER    DEOXYRIBONUCLEIC ACID                   04-SEP-98   1BUT      
*TITLE     NMR STRUCTURE OF THE DNA DECAMER D(CATGGCCATG)2,              
*TITLE    2 10 STRUCTURES                                                
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: DNA (5'-D(CATGGCCATG)-3')2;                        
*COMPND   3 CHAIN: A, B;                                                 
*COMPND   4 ENGINEERED: YES;                                             
*COMPND   5 OTHER_DETAILS: IN 100 MM NACL AND 0.2 MM EDTA, PH 7.0 AT     
*COMPND   6 300 K, 2 MM DUPLEX CONCENTRATION                             
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 SYNTHETIC: YES                                               
*KEYWDS    DEOXYRIBONUCLEIC ACID, DNA                                    
*EXPDTA    NMR, 10 STRUCTURES                                            
*AUTHOR    U.DORNBERGER,J.FLEMMING,H.FRITZSCHE                           
*REVDAT   1   12-OCT-04 1BUT    0   

 # NMR RESTRAINTS SET
 # residue numbering
 # first strand:  5'-C1-A2-T3-G4-G5-C6-C7-A8-T9-G10-3'
 # second strand: 3'-G41-T40-A39-C38-C37-G36-G35-T34-A33-C32-5'
 # lower limits
 # lower distance limits from mardigras 
  1 CYT  H2'     1 CYT  H1'     2.84  
  1 CYT  H2'     1 CYT  H6      2.33
  1 CYT  H2'     1 CYT  H3'     2.46  
  1 CYT  H2"     1 CYT  H1'     2.30
  1 CYT  H2"     1 CYT  H6      3.92
  2 ADE  H8      1 CYT  H1'     3.68
  2 ADE  H8      1 CYT  H2'     3.02
  2 ADE  H8      1 CYT  H2"     2.82
  2 ADE  H8      2 ADE  H1'     3.14
  2 ADE  H3'     2 ADE  H1'     3.37
  2 ADE  H3'     2 ADE  H8      3.56
  2 ADE  H2'     2 ADE  H1'     2.56
  2 ADE  H2'     2 ADE  H8      2.05
  2 ADE  H2'     2 ADE  H3'     2.05
  2 ADE  H2"     2 ADE  H1'     2.04
  2 ADE  H2"     2 ADE  H8      2.76
  2 ADE  H2"     2 ADE  H3'     2.36
  3 THY  H5'     2 ADE  H1'     2.68
  3 THY  H4'     2 ADE  H1'     2.84
  3 THY  H1'     3 THY  H4'     2.41
  3 THY  H6      2 ADE  H1'     2.98
  3 THY  H6      2 ADE  H8      4.36
  3 THY  H6      2 ADE  H3'     3.81
  3 THY  H6      2 ADE  H2'     2.95
  3 THY  H6      2 ADE  H2"     2.18  
  3 THY  H6      3 THY  H5'     3.28
  3 THY  H6      3 THY  H4'     3.00
  3 THY  H6      3 THY  H1'     3.24
  3 THY  Q7      2 ADE  H1'     4.56
  3 THY  Q7      2 ADE  H8      3.37
  3 THY  Q7      2 ADE  H3'     4.62
  3 THY  Q7      2 ADE  H2'     3.30
  3 THY  Q7      2 ADE  H2"     3.22
  3 THY  H3'     3 THY  H5'     2.86
  3 THY  H3'     3 THY  H1'     3.49
  3 THY  H3'     3 THY  H6      3.01
  3 THY  H2'     3 THY  H1'     2.88
  3 THY  H2'     3 THY  H6      1.95
  3 THY  H2'     3 THY  H3'     2.17
  3 THY  H2"     3 THY  H1'     2.16
  3 THY  H2"     3 THY  H6      2.88
  3 THY  H2"     3 THY  H3'     2.63
  4 GUA  H8      3 THY  H1'     3.57
  4 GUA  H8      3 THY  H6      4.35
  4 GUA  H8      3 THY  H3'     3.90
  4 GUA  H8      3 THY  H2'     2.90
  4 GUA  H8      3 THY  H2"     2.74
  4 GUA  H8      4 GUA  H1'     3.26
  4 GUA  H3'     4 GUA  H1'     3.40
  4 GUA  H3'     4 GUA  H8      3.46
  4 GUA  H2'     4 GUA  H1'     2.58
  4 GUA  H2'     4 GUA  H8      1.99
  4 GUA  H2'     4 GUA  H3'     2.13
  4 GUA  H2"     4 GUA  H1'     2.16
  4 GUA  H2"     4 GUA  H8      2.47
  4 GUA  H2"     4 GUA  H3'     2.28
  5 GUA  H5'     4 GUA  H1'     2.76
  5 GUA  H8      4 GUA  H1'     2.62
  5 GUA  H8      4 GUA  H2'     2.88
  5 GUA  H8      4 GUA  H2"     2.30  
  5 GUA  H8      5 GUA  H5'     3.09
  5 GUA  H8      5 GUA  H1'     3.35
  5 GUA  H3'     5 GUA  H1'     3.45
  5 GUA  H3'     5 GUA  H8      3.47
  5 GUA  H2'     5 GUA  H1'     2.60
  5 GUA  H2'     5 GUA  H8      2.05
  5 GUA  H2'     5 GUA  H3'     2.10
  5 GUA  H2"     5 GUA  H1'     2.14
  5 GUA  H2"     5 GUA  H8      2.11
  5 GUA  H2"     5 GUA  H3'     2.34
  6 CYT  H5'     5 GUA  H1'     2.54
  6 CYT  H6      5 GUA  H1'     2.99
  6 CYT  H6      5 GUA  H3'     3.71
  6 CYT  H6      5 GUA  H2'     2.85
  6 CYT  H6      5 GUA  H2"     2.26  
  6 CYT  H6      6 CYT  H5'     2.98
  6 CYT  H5      5 GUA  H1'     3.63
  6 CYT  H5      5 GUA  H8      3.36
  6 CYT  H5      5 GUA  H2'     3.18
  6 CYT  H5      5 GUA  H2"     2.89
  6 CYT  H3'     6 CYT  H6      3.22
  6 CYT  H2'     6 CYT  H6      2.01
  6 CYT  H2'     6 CYT  H5      3.65
  6 CYT  H2'     6 CYT  H3'     2.34
  6 CYT  H2"     6 CYT  H6      3.29
  6 CYT  H2"     6 CYT  H3'     2.83
  7 CYT  H5'     6 CYT  H2'     2.93
  7 CYT  H5'     6 CYT  H2"     2.82
  7 CYT  H6      6 CYT  H2"     2.36
  7 CYT  H6      7 CYT  H1'     3.22
  7 CYT  H5      6 CYT  H6      3.40
  7 CYT  H5      6 CYT  H5      3.71
  7 CYT  H5      6 CYT  H2'     2.68
  7 CYT  H5      6 CYT  H2"     3.59
  7 CYT  H3'     7 CYT  H1'     3.63
  7 CYT  H3'     7 CYT  H6      3.11
  7 CYT  H2'     7 CYT  H1'     2.96
  7 CYT  H2'     7 CYT  H3'     2.24
  7 CYT  H2"     7 CYT  H1'     2.19
  7 CYT  H2"     7 CYT  H6      2.59
  7 CYT  H2"     7 CYT  H3'     2.60
  8 ADE  H5"     7 CYT  H1'     3.04
  8 ADE  H8      7 CYT  H1'     3.26
  8 ADE  H8      7 CYT  H6      4.30
  8 ADE  H8      7 CYT  H3'     3.73
  8 ADE  H8      7 CYT  H2'     3.12
  8 ADE  H8      7 CYT  H2"     2.53  
  8 ADE  H8      8 ADE  H1'     3.32
  8 ADE  H3'     8 ADE  H8      3.31
  8 ADE  H2'     8 ADE  H1'     2.61
  8 ADE  H2'     8 ADE  H8      1.99
  8 ADE  H2'     8 ADE  H3'     2.09
  8 ADE  H2"     8 ADE  H1'     2.11
  8 ADE  H2"     8 ADE  H8      2.79
  8 ADE  H2"     8 ADE  H3'     2.46
  9 THY  H5'     8 ADE  H1'     2.63
  9 THY  H4'     8 ADE  H1'     2.85
  9 THY  H1'     9 THY  H4'     2.45
  9 THY  H6      8 ADE  H1'     3.06
  9 THY  H6      8 ADE  H8      3.97
  9 THY  H6      8 ADE  H3'     4.18
  9 THY  H6      8 ADE  H2'     2.90
  9 THY  H6      8 ADE  H2"     2.38
  9 THY  H6      9 THY  H4'     2.93
  9 THY  H6      9 THY  H1'     3.20
  9 THY  Q7      8 ADE  H1'     4.68
  9 THY  Q7      8 ADE  H8      3.33
  9 THY  Q7      8 ADE  H3'     4.31
  9 THY  Q7      8 ADE  H2'     3.41
  9 THY  Q7      8 ADE  H2"     3.48
  9 THY  H3'     9 THY  H5'     2.85
  9 THY  H3'     9 THY  H1'     3.60
  9 THY  H3'     9 THY  H6      3.09
  9 THY  H2'     9 THY  H1'     2.85
  9 THY  H2'     9 THY  H6      1.98
  9 THY  H2'     9 THY  H3'     2.19
  9 THY  H2"     9 THY  H1'     2.12
  9 THY  H2"     9 THY  H6      3.19
  9 THY  H2"     9 THY  H3'     2.57
 10 GUA  H8      9 THY  H1'     3.62
 10 GUA  H8      9 THY  H6      4.12
 10 GUA  H8      9 THY  H3'     3.92
 10 GUA  H8      9 THY  H2'     2.96
 10 GUA  H8      9 THY  H2"     2.81
 10 GUA  H3'    10 GUA  H8      3.23
 10 GUA  H2'    10 GUA  H8      2.09
 10 GUA  H2'    10 GUA  H3'     2.33
 10 GUA  H2"    10 GUA  H8      3.03
 10 GUA  H2"    10 GUA  H3'     2.70
 32 CYT  H2'    32 CYT  H1'     2.84  
 32 CYT  H2'    32 CYT  H6      2.33
 32 CYT  H2'    32 CYT  H3'     2.46  
 32 CYT  H2"    32 CYT  H1'     2.30
 32 CYT  H2"    32 CYT  H6      3.92
 33 ADE  H8     32 CYT  H1'     3.68
 33 ADE  H8     32 CYT  H2'     3.02
 33 ADE  H8     32 CYT  H2"     2.82
 33 ADE  H8     33 ADE  H1'     3.14
 33 ADE  H3'    33 ADE  H1'     3.37
 33 ADE  H3'    33 ADE  H8      3.56
 33 ADE  H2'    33 ADE  H1'     2.56
 33 ADE  H2'    33 ADE  H8      2.05
 33 ADE  H2'    33 ADE  H3'     2.04
 33 ADE  H2"    33 ADE  H1'     2.04
 33 ADE  H2"    33 ADE  H8      2.76
 33 ADE  H2"    33 ADE  H3'     2.36
 34 THY  H5'    33 ADE  H1'     2.68
 34 THY  H4'    33 ADE  H1'     2.84
 34 THY  H1'    34 THY  H4'     2.41
 34 THY  H6     33 ADE  H1'     2.98
 34 THY  H6     33 ADE  H8      4.36
 34 THY  H6     33 ADE  H3'     3.81
 34 THY  H6     33 ADE  H2'     2.95
 34 THY  H6     33 ADE  H2"     2.18  
 34 THY  H6     34 THY  H5'     3.28
 34 THY  H6     34 THY  H4'     3.00
 34 THY  H6     34 THY  H1'     3.24
 34 THY  Q7     33 ADE  H1'     4.56
 34 THY  Q7     33 ADE  H8      3.37
 34 THY  Q7     33 ADE  H3'     4.62
 34 THY  Q7     33 ADE  H2'     3.31
 34 THY  Q7     33 ADE  H2"     3.22
 34 THY  H3'    34 THY  H5'     2.86
 34 THY  H3'    34 THY  H1'     3.49
 34 THY  H3'    34 THY  H6      3.01
 34 THY  H2'    34 THY  H1'     2.88
 34 THY  H2'    34 THY  H6      1.95
 34 THY  H2'    34 THY  H3'     2.17
 34 THY  H2"    34 THY  H1'     2.16
 34 THY  H2"    34 THY  H6      2.88
 34 THY  H2"    34 THY  H3'     2.63
 35 GUA  H8     34 THY  H1'     3.57
 35 GUA  H8     34 THY  H6      4.35
 35 GUA  H8     34 THY  H3'     3.90
 35 GUA  H8     34 THY  H2'     2.90
 35 GUA  H8     34 THY  H2"     2.74
 35 GUA  H8     35 GUA  H1'     3.26
 35 GUA  H3'    35 GUA  H1'     3.40
 35 GUA  H3'    35 GUA  H8      3.46
 35 GUA  H2'    35 GUA  H1'     2.58
 35 GUA  H2'    35 GUA  H8      1.99
 35 GUA  H2'    35 GUA  H3'     2.13
 35 GUA  H2"    35 GUA  H1'     2.16
 35 GUA  H2"    35 GUA  H8      2.47
 35 GUA  H2"    35 GUA  H3'     2.28
 36 GUA  H5'    35 GUA  H1'     2.76
 36 GUA  H8     35 GUA  H1'     2.62
 36 GUA  H8     35 GUA  H2'     2.88
 36 GUA  H8     35 GUA  H2"     2.30  
 36 GUA  H8     36 GUA  H5'     3.09
 36 GUA  H8     36 GUA  H1'     3.35
 36 GUA  H3'    36 GUA  H1'     3.45
 36 GUA  H3'    36 GUA  H8      3.47
 36 GUA  H2'    36 GUA  H1'     2.60
 36 GUA  H2'    36 GUA  H8      2.05
 36 GUA  H2'    36 GUA  H3'     2.10
 36 GUA  H2"    36 GUA  H1'     2.14
 36 GUA  H2"    36 GUA  H8      2.11
 36 GUA  H2"    36 GUA  H3'     2.34
 37 CYT  H5'    36 GUA  H1'     2.55
 37 CYT  H6     36 GUA  H1'     2.99
 37 CYT  H6     36 GUA  H3'     3.71
 37 CYT  H6     36 GUA  H2'     2.85
 37 CYT  H6     36 GUA  H2"     2.26  
 37 CYT  H6     37 CYT  H5'     2.98
 37 CYT  H5     36 GUA  H1'     3.63
 37 CYT  H5     36 GUA  H8      3.36
 37 CYT  H5     36 GUA  H2'     3.18
 37 CYT  H5     36 GUA  H2"     2.89
 37 CYT  H3'    37 CYT  H6      3.22
 37 CYT  H2'    37 CYT  H6      2.00
 37 CYT  H2'    37 CYT  H5      3.65
 37 CYT  H2'    37 CYT  H3'     2.34
 37 CYT  H2"    37 CYT  H6      3.29
 37 CYT  H2"    37 CYT  H3'     2.83
 38 CYT  H5'    37 CYT  H2'     2.93
 38 CYT  H5'    37 CYT  H2"     2.82
 38 CYT  H6     37 CYT  H2"     2.36
 38 CYT  H6     38 CYT  H1'     3.22
 38 CYT  H5     37 CYT  H6      3.40
 38 CYT  H5     37 CYT  H5      3.71
 38 CYT  H5     37 CYT  H2'     2.68
 38 CYT  H5     37 CYT  H2"     3.58
 38 CYT  H3'    38 CYT  H1'     3.63
 38 CYT  H3'    38 CYT  H6      3.10
 38 CYT  H2'    38 CYT  H1'     2.96
 38 CYT  H2'    38 CYT  H3'     2.24
 38 CYT  H2"    38 CYT  H1'     2.19
 38 CYT  H2"    38 CYT  H6      2.58
 38 CYT  H2"    38 CYT  H3'     2.60
 39 ADE  H5"    38 CYT  H1'     3.05
 39 ADE  H8     38 CYT  H1'     3.26
 39 ADE  H8     38 CYT  H6      4.30
 39 ADE  H8     38 CYT  H3'     3.73
 39 ADE  H8     38 CYT  H2'     3.12
 39 ADE  H8     38 CYT  H2"     2.53  
 39 ADE  H8     39 ADE  H1'     3.32
 39 ADE  H3'    39 ADE  H8      3.31
 39 ADE  H2'    39 ADE  H1'     2.61
 39 ADE  H2'    39 ADE  H8      1.99
 39 ADE  H2'    39 ADE  H3'     2.09
 39 ADE  H2"    39 ADE  H1'     2.11
 39 ADE  H2"    39 ADE  H8      2.79
 39 ADE  H2"    39 ADE  H3'     2.46
 40 THY  H5'    39 ADE  H1'     2.63
 40 THY  H4'    39 ADE  H1'     2.85
 40 THY  H1'    40 THY  H4'     2.45
 40 THY  H6     39 ADE  H1'     3.06
 40 THY  H6     39 ADE  H8      3.97
 40 THY  H6     39 ADE  H3'     4.18
 40 THY  H6     39 ADE  H2'     2.90
 40 THY  H6     39 ADE  H2"     2.38
 40 THY  H6     40 THY  H4'     2.93
 40 THY  H6     40 THY  H1'     3.20
 40 THY  Q7     39 ADE  H1'     4.68
 40 THY  Q7     39 ADE  H8      3.34
 40 THY  Q7     39 ADE  H3'     4.30
 40 THY  Q7     39 ADE  H2'     3.41
 40 THY  Q7     39 ADE  H2"     3.48
 40 THY  H3'    40 THY  H5'     2.85
 40 THY  H3'    40 THY  H1'     3.60
 40 THY  H3'    40 THY  H6      3.09
 40 THY  H2'    40 THY  H1'     2.85
 40 THY  H2'    40 THY  H6      1.98
 40 THY  H2'    40 THY  H3'     2.19
 40 THY  H2"    40 THY  H1'     2.12
 40 THY  H2"    40 THY  H6      3.19
 40 THY  H2"    40 THY  H3'     2.57
 41 GUA  H8     40 THY  H1'     3.62
 41 GUA  H8     40 THY  H6      4.12
 41 GUA  H8     40 THY  H3'     3.92
 41 GUA  H8     40 THY  H2'     2.96
 41 GUA  H8     40 THY  H2"     2.81
 41 GUA  H3'    41 GUA  H8      3.23
 41 GUA  H2'    41 GUA  H8      2.09
 41 GUA  H2'    41 GUA  H3'     2.33
 41 GUA  H2"    41 GUA  H8      3.03
 41 GUA  H2"    41 GUA  H3'     2.70
  1 CYT  H5'     1 CYT  H3'     3.31
  1 CYT  H5"     1 CYT  H6      3.09
  1 CYT  H5"     1 CYT  H3'     3.30
  2 ADE  H4'     2 ADE  H1'     2.83
  2 ADE  H4'     2 ADE  H8      4.18
  2 ADE  H4'     2 ADE  H3'     2.32
  2 ADE  H4'     2 ADE  H2'     3.38
  2 ADE  H4'     2 ADE  H2"     3.45
  4 GUA  H4'     4 GUA  H1'     2.75
  4 GUA  H4'     4 GUA  H8      4.49
  4 GUA  H4'     4 GUA  H3'     2.42
  4 GUA  H4'     4 GUA  H2'     3.60
  4 GUA  H4'     4 GUA  H2"     3.47
  5 GUA  H4'     5 GUA  H1'     2.81
  5 GUA  H4'     5 GUA  H8      4.19
  5 GUA  H4'     5 GUA  H3'     2.42
  5 GUA  H4'     5 GUA  H2'     3.75
  5 GUA  H4'     5 GUA  H2"     3.22
  6 CYT  H5"     6 CYT  H6      3.41
  6 CYT  H1'     6 CYT  H6      3.19
  6 CYT  H1'     6 CYT  H3'     3.70
  6 CYT  H1'     6 CYT  H2'     2.76
  6 CYT  H1'     6 CYT  H2"     2.14
  6 CYT  H1'     7 CYT  H5'     2.39  
  6 CYT  H1'     7 CYT  H5"     3.02
  6 CYT  H1'     7 CYT  H6      3.53
  7 CYT  H4'     7 CYT  H1'     2.74
  8 ADE  H4'     8 ADE  H1'     2.82
  8 ADE  H4'     8 ADE  H8      4.28
  8 ADE  H4'     8 ADE  H3'     2.30
  8 ADE  H4'     8 ADE  H2'     3.35
  8 ADE  H4'     8 ADE  H2"     3.60
 10 GUA  H1'    10 GUA  H8      3.28
 10 GUA  H1'    10 GUA  H3'     3.61
 10 GUA  H1'    10 GUA  H2'     2.86
 10 GUA  H1'    10 GUA  H2"     2.11
 10 GUA  H5"    10 GUA  H3'     2.74
 32 CYT  H5'    32 CYT  H3'     3.31
 32 CYT  H5"    32 CYT  H6      3.09
 32 CYT  H5"    32 CYT  H3'     3.30
 33 ADE  H4'    33 ADE  H1'     2.83
 33 ADE  H4'    33 ADE  H8      4.18
 33 ADE  H4'    33 ADE  H3'     2.32
 33 ADE  H4'    33 ADE  H2'     3.38
 33 ADE  H4'    33 ADE  H2"     3.45
 35 GUA  H4'    35 GUA  H1'     2.75
 35 GUA  H4'    35 GUA  H8      4.49
 35 GUA  H4'    35 GUA  H3'     2.42
 35 GUA  H4'    35 GUA  H2'     3.60
 35 GUA  H4'    35 GUA  H2"     3.48
 36 GUA  H4'    36 GUA  H1'     2.81
 36 GUA  H4'    36 GUA  H8      4.19
 36 GUA  H4'    36 GUA  H3'     2.42
 36 GUA  H4'    36 GUA  H2'     3.75
 36 GUA  H4'    36 GUA  H2"     3.22
 37 CYT  H5"    37 CYT  H6      3.41
 37 CYT  H1'    37 CYT  H6      3.19
 37 CYT  H1'    37 CYT  H3'     3.70
 37 CYT  H1'    37 CYT  H2'     2.76
 37 CYT  H1'    37 CYT  H2"     2.14
 37 CYT  H1'    38 CYT  H5'     2.39  
 37 CYT  H1'    38 CYT  H5"     3.02
 37 CYT  H1'    38 CYT  H6      3.53
 38 CYT  H4'    38 CYT  H1'     2.74
 39 ADE  H4'    39 ADE  H1'     2.82
 39 ADE  H4'    39 ADE  H8      4.29
 39 ADE  H4'    39 ADE  H3'     2.30
 39 ADE  H4'    39 ADE  H2'     3.35
 39 ADE  H4'    39 ADE  H2"     3.60
 41 GUA  H1'    41 GUA  H8      3.28
 41 GUA  H1'    41 GUA  H3'     3.61
 41 GUA  H1'    41 GUA  H2'     2.86
 41 GUA  H1'    41 GUA  H2"     2.11
 41 GUA  H5"    41 GUA  H3'     2.74
  5 GUA  H8      4 GUA  H8      4.50
 36 GUA  H8     35 GUA  H8      4.50
#N1-N9 restraints to prevent intercalation of the strands
  2 ADE  N9     40 THY  N1      9.00  1.00E+01
  3 THY  N1     39 ADE  N9      9.00  1.00E+01
  4 GUA  N9     38 CYT  N1      9.00  1.00E+01
  5 GUA  N9     37 CYT  N1      9.00  1.00E+01
  6 CYT  N1     36 GUA  N9      9.00  1.00E+01
  7 CYT  N1     35 GUA  N9      9.00  1.00E+01
  8 ADE  N9     34 THY  N1      9.00  1.00E+01
  9 THY  N1     33 ADE  N9      9.00  1.00E+01
#lower distance limits for ringclosure
  1 CYT  C4'     1 CYT  O4'     1.32  2.00E+00
  1 CYT  C5'     1 CYT  O4'     2.35  2.00E+00
  1 CYT  C3'     1 CYT  O4'     2.24  2.00E+00
  1 CYT  H4'     1 CYT  O4'     1.95  2.00E+00
  2 ADE  C4'     2 ADE  O4'     1.32  2.00E+00
  2 ADE  C5'     2 ADE  O4'     2.35  2.00E+00
  2 ADE  C3'     2 ADE  O4'     2.24  2.00E+00
  2 ADE  H4'     2 ADE  O4'     1.95  2.00E+00
  3 THY  C4'     3 THY  O4'     1.32  2.00E+00
  3 THY  C5'     3 THY  O4'     2.35  2.00E+00
  3 THY  C3'     3 THY  O4'     2.24  2.00E+00
  3 THY  H4'     3 THY  O4'     1.95  2.00E+00
  4 GUA  C4'     4 GUA  O4'     1.32  2.00E+00
  4 GUA  C5'     4 GUA  O4'     2.35  2.00E+00
  4 GUA  C3'     4 GUA  O4'     2.24  2.00E+00
  4 GUA  H4'     4 GUA  O4'     1.95  2.00E+00
  5 GUA  C4'     5 GUA  O4'     1.32  2.00E+00
  5 GUA  C5'     5 GUA  O4'     2.35  2.00E+00
  5 GUA  C3'     5 GUA  O4'     2.24  2.00E+00
  5 GUA  H4'     5 GUA  O4'     1.95  2.00E+00
  6 CYT  C4'     6 CYT  O4'     1.32  2.00E+00
  6 CYT  C5'     6 CYT  O4'     2.35  2.00E+00
  6 CYT  C3'     6 CYT  O4'     2.24  2.00E+00
  6 CYT  H4'     6 CYT  O4'     1.95  2.00E+00
  7 CYT  C4'     7 CYT  O4'     1.32  2.00E+00
  7 CYT  C5'     7 CYT  O4'     2.35  2.00E+00
  7 CYT  C3'     7 CYT  O4'     2.24  2.00E+00
  7 CYT  H4'     7 CYT  O4'     1.95  2.00E+00
  8 ADE  C4'     8 ADE  O4'     1.32  2.00E+00
  8 ADE  C5'     8 ADE  O4'     2.35  2.00E+00
  8 ADE  C3'     8 ADE  O4'     2.24  2.00E+00
  8 ADE  H4'     8 ADE  O4'     1.95  2.00E+00
  9 THY  C4'     9 THY  O4'     1.32  2.00E+00
  9 THY  C5'     9 THY  O4'     2.35  2.00E+00
  9 THY  C3'     9 THY  O4'     2.24  2.00E+00
  9 THY  H4'     9 THY  O4'     1.95  2.00E+00
 10 GUA  C4'    10 GUA  O4'     1.32  2.00E+00
 10 GUA  C5'    10 GUA  O4'     2.35  2.00E+00
 10 GUA  C3'    10 GUA  O4'     2.24  2.00E+00
 10 GUA  H4'    10 GUA  O4'     1.95  2.00E+00
 32 CYT  C4'    32 CYT  O4'     1.32  2.00E+00
 32 CYT  C5'    32 CYT  O4'     2.35  2.00E+00
 32 CYT  C3'    32 CYT  O4'     2.24  2.00E+00
 32 CYT  H4'    32 CYT  O4'     1.95  2.00E+00
 33 ADE  C4'    33 ADE  O4'     1.32  2.00E+00
 33 ADE  C5'    33 ADE  O4'     2.35  2.00E+00
 33 ADE  C3'    33 ADE  O4'     2.24  2.00E+00
 33 ADE  H4'    33 ADE  O4'     1.95  2.00E+00
 34 THY  C4'    34 THY  O4'     1.32  2.00E+00
 34 THY  C5'    34 THY  O4'     2.35  2.00E+00
 34 THY  C3'    34 THY  O4'     2.24  2.00E+00
 34 THY  H4'    34 THY  O4'     1.95  2.00E+00
 35 GUA  C4'    35 GUA  O4'     1.32  2.00E+00
 35 GUA  C5'    35 GUA  O4'     2.35  2.00E+00
 35 GUA  C3'    35 GUA  O4'     2.24  2.00E+00
 35 GUA  H4'    35 GUA  O4'     1.95  2.00E+00
 36 GUA  C4'    36 GUA  O4'     1.32  2.00E+00
 36 GUA  C5'    36 GUA  O4'     2.35  2.00E+00
 36 GUA  C3'    36 GUA  O4'     2.24  2.00E+00
 36 GUA  H4'    36 GUA  O4'     1.95  2.00E+00
 37 CYT  C4'    37 CYT  O4'     1.32  2.00E+00
 37 CYT  C5'    37 CYT  O4'     2.35  2.00E+00
 37 CYT  C3'    37 CYT  O4'     2.24  2.00E+00
 37 CYT  H4'    37 CYT  O4'     1.95  2.00E+00
 38 CYT  C4'    38 CYT  O4'     1.32  2.00E+00
 38 CYT  C5'    38 CYT  O4'     2.35  2.00E+00
 38 CYT  C3'    38 CYT  O4'     2.24  2.00E+00
 38 CYT  H4'    38 CYT  O4'     1.95  2.00E+00
 39 ADE  C4'    39 ADE  O4'     1.32  2.00E+00
 39 ADE  C5'    39 ADE  O4'     2.35  2.00E+00
 39 ADE  C3'    39 ADE  O4'     2.24  2.00E+00
 39 ADE  H4'    39 ADE  O4'     1.95  2.00E+00
 40 THY  C4'    40 THY  O4'     1.32  2.00E+00
 40 THY  C5'    40 THY  O4'     2.35  2.00E+00
 40 THY  C3'    40 THY  O4'     2.24  2.00E+00
 40 THY  H4'    40 THY  O4'     1.95  2.00E+00
 41 GUA  C4'    41 GUA  O4'     1.32  2.00E+00
 41 GUA  C5'    41 GUA  O4'     2.35  2.00E+00
 41 GUA  C3'    41 GUA  O4'     2.24  2.00E+00
 41 GUA  H4'    41 GUA  O4'     1.95  2.00E+00
#lower distance limits of Hbonds C/O/N -> C/O/N:
  2 ADE  N1     40 THY  N3      2.72  1.00E+01
  2 ADE  N6     40 THY  O4      2.85  1.00E+01
  3 THY  N3     39 ADE  N1      2.72  1.00E+01
  3 THY  O4     39 ADE  N6      2.85  1.00E+01
  4 GUA  O6     38 CYT  N4      2.81  1.00E+01
  4 GUA  N1     38 CYT  N3      2.84  1.00E+01
  4 GUA  N2     38 CYT  O2      2.76  1.00E+01
  5 GUA  O6     37 CYT  N4      2.81  1.00E+01
  5 GUA  N1     37 CYT  N3      2.84  1.00E+01
  5 GUA  N2     37 CYT  O2      2.76  1.00E+01
  6 CYT  N4     36 GUA  O6      2.81  1.00E+01
  6 CYT  N3     36 GUA  N1      2.84  1.00E+01
  6 CYT  O2     36 GUA  N2      2.76  1.00E+01
  7 CYT  N4     35 GUA  O6      2.81  1.00E+01
  7 CYT  N3     35 GUA  N1      2.84  1.00E+01
  7 CYT  O2     35 GUA  N2      2.76  1.00E+01
  8 ADE  N1     34 THY  N3      2.72  1.00E+01
  8 ADE  N6     34 THY  O4      2.85  1.00E+01
  9 THY  N3     33 ADE  N1      2.72  1.00E+01
  9 THY  O4     33 ADE  N6      2.85  1.00E+01
# upper distance limits
# upper distance limits from mardigras  
  1 CYT  H2'     1 CYT  H1'     4.22
  1 CYT  H2'     1 CYT  H6      2.74
  1 CYT  H2'     1 CYT  H3'     3.34
  1 CYT  H2"     1 CYT  H1'     2.66
  1 CYT  H2"     1 CYT  H6      5.11
  2 ADE  H8      1 CYT  H1'     4.69
  2 ADE  H8      1 CYT  H2'     3.43
  2 ADE  H8      1 CYT  H2"     3.19
  2 ADE  H8      2 ADE  H1'     3.79  
  2 ADE  H3'     2 ADE  H1'     4.16
  2 ADE  H3'     2 ADE  H8      4.08
  2 ADE  H2'     2 ADE  H1'     3.01
  2 ADE  H2'     2 ADE  H8      2.39
  2 ADE  H2'     2 ADE  H3'     2.48
  2 ADE  H2"     2 ADE  H1'     2.45
  2 ADE  H2"     2 ADE  H8      3.58  
  2 ADE  H2"     2 ADE  H3'     2.73
  3 THY  H5'     2 ADE  H1'     3.10
  3 THY  H4'     2 ADE  H1'     3.94  
  3 THY  H1'     3 THY  H4'     2.85
  3 THY  H6      2 ADE  H1'     3.50
  3 THY  H6      2 ADE  H8      4.75
  3 THY  H6      2 ADE  H3'     4.70  
  3 THY  H6      2 ADE  H2'     3.47
  3 THY  H6      2 ADE  H2"     2.71
  3 THY  H6      3 THY  H5'     4.21
  3 THY  H6      3 THY  H4'     4.43  
  3 THY  H6      3 THY  H1'     3.74
  3 THY  Q7      2 ADE  H1'     5.07
  3 THY  Q7      2 ADE  H8      3.72
  3 THY  Q7      2 ADE  H3'     5.15
  3 THY  Q7      2 ADE  H2'     3.90
  3 THY  Q7      2 ADE  H2"     3.77
  3 THY  H3'     3 THY  H5'     3.61  
  3 THY  H3'     3 THY  H1'     4.13
  3 THY  H3'     3 THY  H6      3.83  
  3 THY  H2'     3 THY  H1'     3.29
  3 THY  H2'     3 THY  H6      2.35
  3 THY  H2'     3 THY  H3'     2.64
  3 THY  H2"     3 THY  H1'     2.62
  3 THY  H2"     3 THY  H6      3.68  
  3 THY  H2"     3 THY  H3'     3.09
  4 GUA  H8      3 THY  H1'     4.45
  4 GUA  H8      3 THY  H6      4.88
  4 GUA  H8      3 THY  H3'     4.94
  4 GUA  H8      3 THY  H2'     3.34
  4 GUA  H8      3 THY  H2"     3.23
  4 GUA  H8      4 GUA  H1'     3.87
  4 GUA  H3'     4 GUA  H1'     4.09
  4 GUA  H3'     4 GUA  H8      4.17
  4 GUA  H2'     4 GUA  H1'     3.02
  4 GUA  H2'     4 GUA  H8      2.42
  4 GUA  H2'     4 GUA  H3'     2.58
  4 GUA  H2"     4 GUA  H1'     2.52
  4 GUA  H2"     4 GUA  H8      3.42  
  4 GUA  H2"     4 GUA  H3'     2.67
  5 GUA  H5'     4 GUA  H1'     3.29
  5 GUA  H8      4 GUA  H1'     3.04
  5 GUA  H8      4 GUA  H2'     3.60
  5 GUA  H8      4 GUA  H2"     2.88
  5 GUA  H8      5 GUA  H5'     3.81
  5 GUA  H8      5 GUA  H1'     3.84
  5 GUA  H3'     5 GUA  H1'     4.24
  5 GUA  H3'     5 GUA  H8      4.02  
  5 GUA  H2'     5 GUA  H1'     3.03
  5 GUA  H2'     5 GUA  H8      2.43
  5 GUA  H2'     5 GUA  H3'     2.48
  5 GUA  H2"     5 GUA  H1'     2.50
  5 GUA  H2"     5 GUA  H8      4.68
  5 GUA  H2"     5 GUA  H3'     2.82
  6 CYT  H5'     5 GUA  H1'     3.09
  6 CYT  H6      5 GUA  H1'     3.52
  6 CYT  H6      5 GUA  H3'     4.74
  6 CYT  H6      5 GUA  H2'     3.41
  6 CYT  H6      5 GUA  H2"     2.77
  6 CYT  H6      6 CYT  H5'     4.16
  6 CYT  H5      5 GUA  H1'     5.44
  6 CYT  H5      5 GUA  H8      4.00
  6 CYT  H5      5 GUA  H2'     3.98
  6 CYT  H5      5 GUA  H2"     3.48
  6 CYT  H3'     6 CYT  H6      3.71
  6 CYT  H2'     6 CYT  H6      2.39
  6 CYT  H2'     6 CYT  H5      5.03
  6 CYT  H2'     6 CYT  H3'     2.71
  6 CYT  H2"     6 CYT  H6      3.89
  6 CYT  H2"     6 CYT  H3'     3.41
  7 CYT  H5'     6 CYT  H2'     4.28
  7 CYT  H5'     6 CYT  H2"     3.61
  7 CYT  H6      6 CYT  H2"     2.87
  7 CYT  H6      7 CYT  H1'     3.75
  7 CYT  H5      6 CYT  H6      3.91
  7 CYT  H5      6 CYT  H5      4.84
  7 CYT  H5      6 CYT  H2'     3.39
  7 CYT  H5      6 CYT  H2"     4.19
  7 CYT  H3'     7 CYT  H1'     4.17
  7 CYT  H3'     7 CYT  H6      3.61  
  7 CYT  H2'     7 CYT  H1'     3.34
  7 CYT  H2'     7 CYT  H3'     2.62
  7 CYT  H2"     7 CYT  H1'     2.52
  7 CYT  H2"     7 CYT  H6      3.43  
  7 CYT  H2"     7 CYT  H3'     2.97
  8 ADE  H5"     7 CYT  H1'     3.86
  8 ADE  H8      7 CYT  H1'     3.93  
  8 ADE  H8      7 CYT  H6      4.67
  8 ADE  H8      7 CYT  H3'     4.85  
  8 ADE  H8      7 CYT  H2'     3.70
  8 ADE  H8      7 CYT  H2"     3.13
  8 ADE  H8      8 ADE  H1'     3.83
  8 ADE  H3'     8 ADE  H8      3.93
  8 ADE  H2'     8 ADE  H1'     3.09
  8 ADE  H2'     8 ADE  H8      2.41
  8 ADE  H2'     8 ADE  H3'     2.53
  8 ADE  H2"     8 ADE  H1'     2.51
  8 ADE  H2"     8 ADE  H8      3.58  
  8 ADE  H2"     8 ADE  H3'     2.94
  9 THY  H5'     8 ADE  H1'     3.28
  9 THY  H4'     8 ADE  H1'     3.57
  9 THY  H1'     9 THY  H4'     2.87
  9 THY  H6      8 ADE  H1'     3.51
  9 THY  H6      8 ADE  H8      4.47
  9 THY  H6      8 ADE  H3'     4.89  
  9 THY  H6      8 ADE  H2'     3.36
  9 THY  H6      8 ADE  H2"     2.80
  9 THY  H6      9 THY  H4'     4.41  
  9 THY  H6      9 THY  H1'     3.72
  9 THY  Q7      8 ADE  H1'     5.45
  9 THY  Q7      8 ADE  H8      3.70
  9 THY  Q7      8 ADE  H3'     5.31
  9 THY  Q7      8 ADE  H2'     3.91
  9 THY  Q7      8 ADE  H2"     4.02
  9 THY  H3'     9 THY  H5'     3.53  
  9 THY  H3'     9 THY  H1'     4.62
  9 THY  H3'     9 THY  H6      3.92  
  9 THY  H2'     9 THY  H1'     3.27
  9 THY  H2'     9 THY  H6      2.37
  9 THY  H2'     9 THY  H3'     2.72
  9 THY  H2"     9 THY  H1'     2.52
  9 THY  H2"     9 THY  H6      3.98
  9 THY  H2"     9 THY  H3'     3.05
 10 GUA  H8      9 THY  H1'     4.21
 10 GUA  H8      9 THY  H6      4.65
 10 GUA  H8      9 THY  H3'     5.42
 10 GUA  H8      9 THY  H2'     3.56
 10 GUA  H8      9 THY  H2"     3.38
 10 GUA  H3'    10 GUA  H8      3.72
 10 GUA  H2'    10 GUA  H8      2.58
 10 GUA  H2'    10 GUA  H3'     2.82
 10 GUA  H2"    10 GUA  H8      3.72
 10 GUA  H2"    10 GUA  H3'     3.18
 32 CYT  H2'    32 CYT  H1'     4.21
 32 CYT  H2'    32 CYT  H6      2.74
 32 CYT  H2'    32 CYT  H3'     3.34
 32 CYT  H2"    32 CYT  H1'     2.66
 32 CYT  H2"    32 CYT  H6      5.05
 33 ADE  H8     32 CYT  H1'     4.69
 33 ADE  H8     32 CYT  H2'     3.43
 33 ADE  H8     32 CYT  H2"     3.19
 33 ADE  H8     33 ADE  H1'     3.79  
 33 ADE  H3'    33 ADE  H1'     4.16
 33 ADE  H3'    33 ADE  H8      4.08
 33 ADE  H2'    33 ADE  H1'     3.01
 33 ADE  H2'    33 ADE  H8      2.39
 33 ADE  H2'    33 ADE  H3'     2.48
 33 ADE  H2"    33 ADE  H1'     2.45
 33 ADE  H2"    33 ADE  H8      3.58  
 33 ADE  H2"    33 ADE  H3'     2.73
 34 THY  H5'    33 ADE  H1'     3.10
 34 THY  H4'    33 ADE  H1'     3.94  
 34 THY  H1'    34 THY  H4'     2.85
 34 THY  H6     33 ADE  H1'     3.50
 34 THY  H6     33 ADE  H8      4.75
 34 THY  H6     33 ADE  H3'     4.70  
 34 THY  H6     33 ADE  H2'     3.47
 34 THY  H6     33 ADE  H2"     2.71
 34 THY  H6     34 THY  H5'     4.21
 34 THY  H6     34 THY  H4'     4.43  
 34 THY  H6     34 THY  H1'     3.74
 34 THY  Q7     33 ADE  H1'     5.08
 34 THY  Q7     33 ADE  H8      3.72
 34 THY  Q7     33 ADE  H3'     5.15
 34 THY  Q7     33 ADE  H2'     3.90
 34 THY  Q7     33 ADE  H2"     3.77
 34 THY  H3'    34 THY  H5'     3.61  
 34 THY  H3'    34 THY  H1'     4.13
 34 THY  H3'    34 THY  H6      3.83  
 34 THY  H2'    34 THY  H1'     3.29
 34 THY  H2'    34 THY  H6      2.35
 34 THY  H2'    34 THY  H3'     2.64
 34 THY  H2"    34 THY  H1'     2.62
 34 THY  H2"    34 THY  H6      3.68  
 34 THY  H2"    34 THY  H3'     3.09
 35 GUA  H8     34 THY  H1'     4.45
 35 GUA  H8     34 THY  H6      4.88
 35 GUA  H8     34 THY  H3'     4.94
 35 GUA  H8     34 THY  H2'     3.34
 35 GUA  H8     34 THY  H2"     3.23
 35 GUA  H8     35 GUA  H1'     3.87
 35 GUA  H3'    35 GUA  H1'     4.09
 35 GUA  H3'    35 GUA  H8      4.17
 35 GUA  H2'    35 GUA  H1'     3.02
 35 GUA  H2'    35 GUA  H8      2.42
 35 GUA  H2'    35 GUA  H3'     2.57
 35 GUA  H2"    35 GUA  H1'     2.52
 35 GUA  H2"    35 GUA  H8      3.42  
 35 GUA  H2"    35 GUA  H3'     2.67
 36 GUA  H5'    35 GUA  H1'     3.29
 36 GUA  H8     35 GUA  H1'     3.04
 36 GUA  H8     35 GUA  H2'     3.60
 36 GUA  H8     35 GUA  H2"     2.88
 36 GUA  H8     36 GUA  H5'     3.81
 36 GUA  H8     36 GUA  H1'     3.84
 36 GUA  H3'    36 GUA  H1'     4.24
 36 GUA  H3'    36 GUA  H8      4.03  
 36 GUA  H2'    36 GUA  H1'     3.03
 36 GUA  H2'    36 GUA  H8      2.43
 36 GUA  H2'    36 GUA  H3'     2.48
 36 GUA  H2"    36 GUA  H1'     2.50
 36 GUA  H2"    36 GUA  H8      4.66
 36 GUA  H2"    36 GUA  H3'     2.82
 37 CYT  H5'    36 GUA  H1'     3.09
 37 CYT  H6     36 GUA  H1'     3.52
 37 CYT  H6     36 GUA  H3'     4.74
 37 CYT  H6     36 GUA  H2'     3.41
 37 CYT  H6     36 GUA  H2"     2.77
 37 CYT  H6     37 CYT  H5'     4.16
 37 CYT  H5     36 GUA  H1'     5.44
 37 CYT  H5     36 GUA  H8      4.00
 37 CYT  H5     36 GUA  H2'     3.98
 37 CYT  H5     36 GUA  H2"     3.48
 37 CYT  H3'    37 CYT  H6      3.71
 37 CYT  H2'    37 CYT  H6      2.39
 37 CYT  H2'    37 CYT  H5      5.04
 37 CYT  H2'    37 CYT  H3'     2.71
 37 CYT  H2"    37 CYT  H6      3.90
 37 CYT  H2"    37 CYT  H3'     3.41
 38 CYT  H5'    37 CYT  H2'     4.28
 38 CYT  H5'    37 CYT  H2"     3.61
 38 CYT  H6     37 CYT  H2"     2.88
 38 CYT  H6     38 CYT  H1'     3.74
 38 CYT  H5     37 CYT  H6      3.91
 38 CYT  H5     37 CYT  H5      4.84
 38 CYT  H5     37 CYT  H2'     3.40
 38 CYT  H5     37 CYT  H2"     4.19
 38 CYT  H3'    38 CYT  H1'     4.17
 38 CYT  H3'    38 CYT  H6      3.61  
 38 CYT  H2'    38 CYT  H1'     3.34
 38 CYT  H2'    38 CYT  H3'     2.62
 38 CYT  H2"    38 CYT  H1'     2.52
 38 CYT  H2"    38 CYT  H6      3.42  
 38 CYT  H2"    38 CYT  H3'     2.97
 39 ADE  H5"    38 CYT  H1'     3.76
 39 ADE  H8     38 CYT  H1'     3.93  
 39 ADE  H8     38 CYT  H6      4.67
 39 ADE  H8     38 CYT  H3'     4.85  
 39 ADE  H8     38 CYT  H2'     3.70
 39 ADE  H8     38 CYT  H2"     3.13
 39 ADE  H8     39 ADE  H1'     3.83
 39 ADE  H3'    39 ADE  H8      3.93
 39 ADE  H2'    39 ADE  H1'     3.09
 39 ADE  H2'    39 ADE  H8      2.41
 39 ADE  H2'    39 ADE  H3'     2.53
 39 ADE  H2"    39 ADE  H1'     2.51
 39 ADE  H2"    39 ADE  H8      3.59  
 39 ADE  H2"    39 ADE  H3'     2.94
 40 THY  H5'    39 ADE  H1'     3.28
 40 THY  H4'    39 ADE  H1'     3.56
 40 THY  H1'    40 THY  H4'     2.87
 40 THY  H6     39 ADE  H1'     3.50
 40 THY  H6     39 ADE  H8      4.47
 40 THY  H6     39 ADE  H3'     4.89  
 40 THY  H6     39 ADE  H2'     3.36
 40 THY  H6     39 ADE  H2"     2.80
 40 THY  H6     40 THY  H4'     4.41  
 40 THY  H6     40 THY  H1'     3.72
 40 THY  Q7     39 ADE  H1'     5.45
 40 THY  Q7     39 ADE  H8      3.70
 40 THY  Q7     39 ADE  H3'     5.31
 40 THY  Q7     39 ADE  H2'     3.92
 40 THY  Q7     39 ADE  H2"     4.02
 40 THY  H3'    40 THY  H5'     3.54  
 40 THY  H3'    40 THY  H1'     4.62
 40 THY  H3'    40 THY  H6      3.92  
 40 THY  H2'    40 THY  H1'     3.28
 40 THY  H2'    40 THY  H6      2.37
 40 THY  H2'    40 THY  H3'     2.72
 40 THY  H2"    40 THY  H1'     2.52
 40 THY  H2"    40 THY  H6      4.00
 40 THY  H2"    40 THY  H3'     3.05
 41 GUA  H8     40 THY  H1'     4.21
 41 GUA  H8     40 THY  H6      4.65
 41 GUA  H8     40 THY  H3'     5.42
 41 GUA  H8     40 THY  H2'     3.56
 41 GUA  H8     40 THY  H2"     3.38
 41 GUA  H3'    41 GUA  H8      3.72
 41 GUA  H2'    41 GUA  H8      2.58
 41 GUA  H2'    41 GUA  H3'     2.82
 41 GUA  H2"    41 GUA  H8      3.72
 41 GUA  H2"    41 GUA  H3'     3.18
  1 CYT  H5'     1 CYT  H3'     4.07
  1 CYT  H5"     1 CYT  H6      3.49
  1 CYT  H5"     1 CYT  H3'     4.23
  2 ADE  H4'     2 ADE  H1'     3.24
  2 ADE  H4'     2 ADE  H8      4.83  
  2 ADE  H4'     2 ADE  H3'     2.78
  2 ADE  H4'     2 ADE  H2'     4.02
  2 ADE  H4'     2 ADE  H2"     3.96
  4 GUA  H4'     4 GUA  H1'     3.19
  4 GUA  H4'     4 GUA  H8      5.02  
  4 GUA  H4'     4 GUA  H3'     2.82
  4 GUA  H4'     4 GUA  H2'     4.18
  4 GUA  H4'     4 GUA  H2"     4.65
  5 GUA  H4'     5 GUA  H1'     3.28
  5 GUA  H4'     5 GUA  H8      4.93
  5 GUA  H4'     5 GUA  H3'     2.83
  5 GUA  H4'     5 GUA  H2'     4.56
  5 GUA  H4'     5 GUA  H2"     3.78
  6 CYT  H5"     6 CYT  H6      4.40  
  6 CYT  H1'     6 CYT  H6      3.67
  6 CYT  H1'     6 CYT  H3'     4.98
  6 CYT  H1'     6 CYT  H2'     3.21
  6 CYT  H1'     6 CYT  H2"     2.48
  6 CYT  H1'     7 CYT  H5'     3.12
  6 CYT  H1'     7 CYT  H5"     4.00  
  6 CYT  H1'     7 CYT  H6      4.12
  7 CYT  H4'     7 CYT  H1'     3.15
  8 ADE  H4'     8 ADE  H1'     3.43
  8 ADE  H4'     8 ADE  H8      4.84
  8 ADE  H4'     8 ADE  H3'     2.83
  8 ADE  H4'     8 ADE  H2'     4.13
  8 ADE  H4'     8 ADE  H2"     4.57
 10 GUA  H1'    10 GUA  H8      3.84
 10 GUA  H1'    10 GUA  H3'     4.09
 10 GUA  H1'    10 GUA  H2'     3.47
 10 GUA  H1'    10 GUA  H2"     2.54
 10 GUA  H5"    10 GUA  H3'     3.23
 32 CYT  H5'    32 CYT  H3'     4.08
 32 CYT  H5"    32 CYT  H6      3.49
 32 CYT  H5"    32 CYT  H3'     4.28
 33 ADE  H4'    33 ADE  H1'     3.24
 33 ADE  H4'    33 ADE  H8      4.83  
 33 ADE  H4'    33 ADE  H3'     2.78
 33 ADE  H4'    33 ADE  H2'     4.02
 33 ADE  H4'    33 ADE  H2"     3.96
 35 GUA  H4'    35 GUA  H1'     3.19
 35 GUA  H4'    35 GUA  H8      5.02  
 35 GUA  H4'    35 GUA  H3'     2.82
 35 GUA  H4'    35 GUA  H2'     4.18
 35 GUA  H4'    35 GUA  H2"     4.65
 36 GUA  H4'    36 GUA  H1'     3.28
 36 GUA  H4'    36 GUA  H8      4.93
 36 GUA  H4'    36 GUA  H3'     2.83
 36 GUA  H4'    36 GUA  H2'     4.56
 36 GUA  H4'    36 GUA  H2"     3.78
 37 CYT  H5"    37 CYT  H6      4.39  
 37 CYT  H1'    37 CYT  H6      3.67
 37 CYT  H1'    37 CYT  H3'     4.98
 37 CYT  H1'    37 CYT  H2'     3.21
 37 CYT  H1'    37 CYT  H2"     2.48
 37 CYT  H1'    38 CYT  H5'     3.12
 37 CYT  H1'    38 CYT  H5"     4.00  
 37 CYT  H1'    38 CYT  H6      4.12
 38 CYT  H4'    38 CYT  H1'     3.15
 39 ADE  H4'    39 ADE  H1'     3.42
 39 ADE  H4'    39 ADE  H8      4.84
 39 ADE  H4'    39 ADE  H3'     2.83
 39 ADE  H4'    39 ADE  H2'     4.13
 39 ADE  H4'    39 ADE  H2"     4.57
 41 GUA  H1'    41 GUA  H8      3.84
 41 GUA  H1'    41 GUA  H3'     4.09
 41 GUA  H1'    41 GUA  H2'     3.48
 41 GUA  H1'    41 GUA  H2"     2.55
 41 GUA  H5"    41 GUA  H3'     3.23
  5 GUA  H4'     4 GUA  H1'     4.50
 36 GUA  H4'    35 GUA  H1'     4.50
  4 GUA  H1      5 GUA  H1      4.50
 35 GUA  H1     36 GUA  H1      4.50
#upper distance limits for ringclosure
  1 CYT  C4'     1 CYT  O4'     1.50  2.00E+00
  1 CYT  C5'     1 CYT  O4'     2.49  2.00E+00
  1 CYT  C3'     1 CYT  O4'     2.43  2.00E+00
  1 CYT  H4'     1 CYT  O4'     2.19  2.00E+00
  2 ADE  C4'     2 ADE  O4'     1.50  2.00E+00
  2 ADE  C5'     2 ADE  O4'     2.49  2.00E+00
  2 ADE  C3'     2 ADE  O4'     2.43  2.00E+00
  2 ADE  H4'     2 ADE  O4'     2.19  2.00E+00
  3 THY  C4'     3 THY  O4'     1.50  2.00E+00
  3 THY  C5'     3 THY  O4'     2.49  2.00E+00
  3 THY  C3'     3 THY  O4'     2.43  2.00E+00
  3 THY  H4'     3 THY  O4'     2.19  2.00E+00
  4 GUA  C4'     4 GUA  O4'     1.50  2.00E+00
  4 GUA  C5'     4 GUA  O4'     2.49  2.00E+00
  4 GUA  C3'     4 GUA  O4'     2.43  2.00E+00
  4 GUA  H4'     4 GUA  O4'     2.19  2.00E+00
  5 GUA  C4'     5 GUA  O4'     1.50  2.00E+00
  5 GUA  C5'     5 GUA  O4'     2.49  2.00E+00
  5 GUA  C3'     5 GUA  O4'     2.43  2.00E+00
  5 GUA  H4'     5 GUA  O4'     2.19  2.00E+00
  6 CYT  C4'     6 CYT  O4'     1.50  2.00E+00
  6 CYT  C5'     6 CYT  O4'     2.49  2.00E+00
  6 CYT  C3'     6 CYT  O4'     2.43  2.00E+00
  6 CYT  H4'     6 CYT  O4'     2.19  2.00E+00
  7 CYT  C4'     7 CYT  O4'     1.50  2.00E+00
  7 CYT  C5'     7 CYT  O4'     2.49  2.00E+00
  7 CYT  C3'     7 CYT  O4'     2.43  2.00E+00
  7 CYT  H4'     7 CYT  O4'     2.19  2.00E+00
  8 ADE  C4'     8 ADE  O4'     1.50  2.00E+00
  8 ADE  C5'     8 ADE  O4'     2.49  2.00E+00
  8 ADE  C3'     8 ADE  O4'     2.43  2.00E+00
  8 ADE  H4'     8 ADE  O4'     2.19  2.00E+00
  9 THY  C4'     9 THY  O4'     1.50  2.00E+00
  9 THY  C5'     9 THY  O4'     2.49  2.00E+00
  9 THY  C3'     9 THY  O4'     2.43  2.00E+00
  9 THY  H4'     9 THY  O4'     2.19  2.00E+00
 10 GUA  C4'    10 GUA  O4'     1.50  2.00E+00
 10 GUA  C5'    10 GUA  O4'     2.49  2.00E+00
 10 GUA  C3'    10 GUA  O4'     2.43  2.00E+00
 10 GUA  H4'    10 GUA  O4'     2.19  2.00E+00
 32 CYT  C4'    32 CYT  O4'     1.50  2.00E+00
 32 CYT  C5'    32 CYT  O4'     2.49  2.00E+00
 32 CYT  C3'    32 CYT  O4'     2.43  2.00E+00
 32 CYT  H4'    32 CYT  O4'     2.19  2.00E+00
 33 ADE  C4'    33 ADE  O4'     1.50  2.00E+00
 33 ADE  C5'    33 ADE  O4'     2.49  2.00E+00
 33 ADE  C3'    33 ADE  O4'     2.43  2.00E+00
 33 ADE  H4'    33 ADE  O4'     2.19  2.00E+00
 34 THY  C4'    34 THY  O4'     1.50  2.00E+00
 34 THY  C5'    34 THY  O4'     2.49  2.00E+00
 34 THY  C3'    34 THY  O4'     2.43  2.00E+00
 34 THY  H4'    34 THY  O4'     2.19  2.00E+00
 35 GUA  C4'    35 GUA  O4'     1.50  2.00E+00
 35 GUA  C5'    35 GUA  O4'     2.49  2.00E+00
 35 GUA  C3'    35 GUA  O4'     2.43  2.00E+00
 35 GUA  H4'    35 GUA  O4'     2.19  2.00E+00
 36 GUA  C4'    36 GUA  O4'     1.50  2.00E+00
 36 GUA  C5'    36 GUA  O4'     2.49  2.00E+00
 36 GUA  C3'    36 GUA  O4'     2.43  2.00E+00
 36 GUA  H4'    36 GUA  O4'     2.19  2.00E+00
 37 CYT  C4'    37 CYT  O4'     1.50  2.00E+00
 37 CYT  C5'    37 CYT  O4'     2.49  2.00E+00
 37 CYT  C3'    37 CYT  O4'     2.43  2.00E+00
 37 CYT  H4'    37 CYT  O4'     2.19  2.00E+00
 38 CYT  C4'    38 CYT  O4'     1.50  2.00E+00
 38 CYT  C5'    38 CYT  O4'     2.49  2.00E+00
 38 CYT  C3'    38 CYT  O4'     2.43  2.00E+00
 38 CYT  H4'    38 CYT  O4'     2.19  2.00E+00
 39 ADE  C4'    39 ADE  O4'     1.50  2.00E+00
 39 ADE  C5'    39 ADE  O4'     2.49  2.00E+00
 39 ADE  C3'    39 ADE  O4'     2.43  2.00E+00
 39 ADE  H4'    39 ADE  O4'     2.19  2.00E+00
 40 THY  C4'    40 THY  O4'     1.50  2.00E+00
 40 THY  C5'    40 THY  O4'     2.49  2.00E+00
 40 THY  C3'    40 THY  O4'     2.43  2.00E+00
 40 THY  H4'    40 THY  O4'     2.19  2.00E+00
 41 GUA  C4'    41 GUA  O4'     1.50  2.00E+00
 41 GUA  C5'    41 GUA  O4'     2.49  2.00E+00
 41 GUA  C3'    41 GUA  O4'     2.43  2.00E+00
 41 GUA  H4'    41 GUA  O4'     2.19  2.00E+00
#upper distance limits of Hbonds C/O/N -> C/O/N:
  2 ADE  N1     40 THY  N3      2.92  1.00E+01
  2 ADE  N6     40 THY  O4      3.05  1.00E+01
  3 THY  N3     39 ADE  N1      2.92  1.00E+01
  3 THY  O4     39 ADE  N6      3.05  1.00E+01
  4 GUA  O6     38 CYT  N4      3.01  1.00E+01
  4 GUA  N1     38 CYT  N3      3.05  1.00E+01
  4 GUA  N2     38 CYT  O2      2.96  1.00E+01
  5 GUA  O6     37 CYT  N4      3.01  1.00E+01
  5 GUA  N1     37 CYT  N3      3.05  1.00E+01
  5 GUA  N2     37 CYT  O2      2.96  1.00E+01
  6 CYT  N4     36 GUA  O6      3.01  1.00E+01
  6 CYT  N3     36 GUA  N1      3.05  1.00E+01
  6 CYT  O2     36 GUA  N2      2.96  1.00E+01
  7 CYT  N4     35 GUA  O6      3.01  1.00E+01
  7 CYT  N3     35 GUA  N1      3.05  1.00E+01
  7 CYT  O2     35 GUA  N2      2.96  1.00E+01
  8 ADE  N1     34 THY  N3      2.92  1.00E+01
  8 ADE  N6     34 THY  O4      3.05  1.00E+01
  9 THY  N3     33 ADE  N1      2.92  1.00E+01
  9 THY  O4     33 ADE  N6      3.05  1.00E+01
torsion angle restraints
   2 ADE   NU1      26.0    36.0
   2 ADE   NU2     -23.0   -13.0
   2 ADE   DELTA   118.0   128.0
   3 THY   NU1      23.0    33.0
   3 THY   NU2     -20.0   -10.0
   3 THY   DELTA   116.0   126.0
   4 GUA   NU1      27.0    37.0
   4 GUA   NU2     -24.0   -14.0
   4 GUA   DELTA   119.0   129.0
   5 GUA   NU1      28.0    38.0
   5 GUA   NU2     -25.0   -15.0
   5 GUA   DELTA   118.0   128.0
   6 CYT   NU1      19.0    29.0
   6 CYT   NU2     -12.0    -2.0
   6 CYT   DELTA   109.0   119.0
   7 CYT   NU1      22.0    32.0
   7 CYT   NU2     -17.0    -7.0
   7 CYT   DELTA   118.0   128.0
   8 ADE   NU1      23.0    33.0
   8 ADE   NU2     -19.0    -9.0
   8 ADE   DELTA   114.0   124.0
   9 THY   NU1      23.0    33.0
   9 THY   NU2     -20.0   -10.0
   9 THY   DELTA   116.0   126.0
  33 ADE   NU1      26.0    36.0
  33 ADE   NU2     -23.0   -13.0
  33 ADE   DELTA   118.0   128.0
  34 THY   NU1      23.0    33.0
  34 THY   NU2     -20.0   -10.0
  34 THY   DELTA   116.0   126.0
  35 GUA   NU1      27.0    37.0
  35 GUA   NU2     -24.0   -14.0
  35 GUA   DELTA   119.0   129.0
  36 GUA   NU1      28.0    38.0
  36 GUA   NU2     -25.0   -15.0
  36 GUA   DELTA   118.0   128.0
  37 CYT   NU1      19.0    29.0
  37 CYT   NU2     -12.0    -2.0
  37 CYT   DELTA   109.0   119.0
  38 CYT   NU1      22.0    32.0
  38 CYT   NU2     -17.0    -7.0
  38 CYT   DELTA   118.0   128.0
  39 ADE   NU1      23.0    33.0
  39 ADE   NU2     -19.0    -9.0
  39 ADE   DELTA   114.0   124.0
  40 THY   NU1      23.0    33.0
  40 THY   NU2     -20.0   -10.0
  40 THY   DELTA   116.0   126.0
   1 CYT   EPSI   -210.0   -10.0
   1 CYT   CHI    -150.0  -100.0
   2 ADE   ALPHA   -90.0   -30.0
   2 ADE   BETA   -210.0  -150.0
   2 ADE   GAMMA    30.0    90.0
   2 ADE   EPSI   -210.0  -150.0
   2 ADE   CHI    -150.0  -100.0
   2 ADE   ZETA   -210.0   -40.0
   3 THY   ALPHA   -90.0   -30.0
   3 THY   BETA   -210.0  -150.0
   3 THY   GAMMA    30.0    90.0
   3 THY   EPSI   -210.0  -150.0
   3 THY   CHI    -150.0  -100.0
   3 THY   ZETA   -210.0   -40.0
   4 GUA   ALPHA   -90.0   -30.0
   4 GUA   BETA   -210.0  -150.0
   4 GUA   GAMMA    30.0    90.0
   4 GUA   EPSI   -210.0  -150.0
   4 GUA   CHI    -150.0  -100.0
   4 GUA   ZETA   -210.0   -40.0
   5 GUA   ALPHA   -90.0   -30.0
   5 GUA   BETA   -210.0  -150.0
   5 GUA   GAMMA    30.0    90.0
   5 GUA   EPSI   -210.0  -150.0
   5 GUA   CHI    -150.0  -100.0
   5 GUA   ZETA   -210.0   -40.0
   6 CYT   ALPHA   -90.0   -30.0
   6 CYT   BETA   -210.0  -150.0
   6 CYT   GAMMA    30.0    90.0
   6 CYT   EPSI   -210.0  -150.0
   6 CYT   CHI    -150.0  -100.0
   6 CYT   ZETA   -210.0   -40.0
   7 CYT   ALPHA   -90.0   -30.0
   7 CYT   BETA   -210.0  -150.0
   7 CYT   GAMMA    30.0    90.0
   7 CYT   EPSI   -210.0  -150.0
   7 CYT   CHI    -150.0  -100.0
   7 CYT   ZETA   -210.0   -40.0
   8 ADE   ALPHA   -90.0   -30.0
   8 ADE   BETA   -210.0  -150.0
   8 ADE   GAMMA    30.0    90.0
   8 ADE   EPSI   -210.0  -150.0
   8 ADE   CHI    -150.0  -100.0
   8 ADE   ZETA   -210.0   -40.0
   9 THY   ALPHA   -90.0   -30.0
   9 THY   BETA   -210.0  -150.0
   9 THY   GAMMA    30.0    90.0
   9 THY   EPSI   -210.0  -150.0
   9 THY   CHI    -150.0  -100.0
   9 THY   ZETA   -210.0   -40.0
  10 GUA   ALPHA   -90.0   -30.0
  10 GUA   BETA   -210.0  -150.0
  10 GUA   GAMMA    30.0    90.0
  10 GUA   CHI    -150.0  -100.0
  10 GUA   ZETA   -210.0   -40.0
  32 CYT   EPSI   -210.0   -10.0
  32 CYT   CHI    -150.0  -100.0
  33 ADE   ALPHA   -90.0   -30.0
  33 ADE   BETA   -210.0  -150.0
  33 ADE   GAMMA    30.0    90.0
  33 ADE   EPSI   -210.0  -150.0
  33 ADE   CHI    -150.0  -100.0
  33 ADE   ZETA   -210.0   -40.0
  34 THY   ALPHA   -90.0   -30.0
  34 THY   BETA   -210.0  -150.0
  34 THY   GAMMA    30.0    90.0
  34 THY   EPSI   -210.0  -150.0
  34 THY   CHI    -150.0  -100.0
  34 THY   ZETA   -210.0   -40.0
  35 GUA   ALPHA   -90.0   -30.0
  35 GUA   BETA   -210.0  -150.0
  35 GUA   GAMMA    30.0    90.0
  35 GUA   EPSI   -210.0  -150.0
  35 GUA   CHI    -150.0  -100.0
  35 GUA   ZETA   -210.0   -40.0
  36 GUA   ALPHA   -90.0   -30.0
  36 GUA   BETA   -210.0  -150.0
  36 GUA   GAMMA    30.0    90.0
  36 GUA   EPSI   -210.0  -150.0
  36 GUA   CHI    -150.0  -100.0
  36 GUA   ZETA   -210.0   -40.0
  37 CYT   ALPHA   -90.0   -30.0
  37 CYT   BETA   -210.0  -150.0
  37 CYT   GAMMA    30.0    90.0
  37 CYT   EPSI   -210.0  -150.0
  37 CYT   CHI    -150.0  -100.0
  37 CYT   ZETA   -210.0   -40.0
  38 CYT   ALPHA   -90.0   -30.0
  38 CYT   BETA   -210.0  -150.0
  38 CYT   GAMMA    30.0    90.0
  38 CYT   EPSI   -210.0  -150.0
  38 CYT   CHI    -150.0  -100.0
  38 CYT   ZETA   -210.0   -40.0
  39 ADE   ALPHA   -90.0   -30.0
  39 ADE   BETA   -210.0  -150.0
  39 ADE   GAMMA    30.0    90.0
  39 ADE   EPSI   -210.0  -150.0
  39 ADE   CHI    -150.0  -100.0
  39 ADE   ZETA   -210.0   -40.0
  40 THY   ALPHA   -90.0   -30.0
  40 THY   BETA   -210.0  -150.0
  40 THY   GAMMA    30.0    90.0
  40 THY   EPSI   -210.0  -150.0
  40 THY   CHI    -150.0  -100.0
  40 THY   ZETA   -210.0   -40.0
  41 GUA   ALPHA   -90.0   -30.0
  41 GUA   BETA   -210.0  -150.0
  41 GUA   GAMMA    30.0    90.0
  41 GUA   CHI    -150.0  -100.0
  41 GUA   ZETA   -210.0   -40.0

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H5*    C   1          1H5*        C   1  -1.580   7.384   7.384
    2   2H5*    C   1          2H5*        C   1  -2.575   6.920   6.920
    3    H4*    C   1           H4*        C   1  -4.405   8.244   8.244
    4    H3*    C   1           H3*        C   1  -4.106   7.775   7.775
    5   1H2*    C   1          1H2*        C   1  -1.921   8.867   8.867
    6   2H2*    C   1          2H2*        C   1  -3.035  10.127  10.127
    7    H1*    C   1           H1*        C   1  -3.361  11.153  11.153
    8   1H4     C   1          1H4         C   1   2.539  13.600  13.600
    9   2H4     C   1          2H4         C   1   3.297  12.142  12.142
   10    H5     C   1           H5         C   1   1.949  10.114  10.114
   11    H6     C   1           H6         C   1  -0.285   9.209   9.209
   12    H5T    C   1           H5T        C   1  -2.555   5.225   5.225
   13   1H5*    A   2          1H5*        A   2  -7.465  10.716  10.716
   14   2H5*    A   2          2H5*        A   2  -8.878   9.646   9.646
   15    H4*    A   2           H4*        A   2  -8.415  10.442  10.442
   16    H3*    A   2           H3*        A   2  -8.326   7.627   7.627
   17   1H2*    A   2          1H2*        A   2  -6.164   7.314   7.314
   18   2H2*    A   2          2H2*        A   2  -6.714   7.389   7.389
   19    H1*    A   2           H1*        A   2  -6.151   9.684   9.684
   20    H8     A   2           H8         A   2  -4.438   8.177   8.177
   21   1H6     A   2          1H6         A   2   0.819  10.539  10.539
   22   2H6     A   2          2H6         A   2  -0.038   9.668   9.668
   23    H2     A   2           H2         A   2  -2.290  11.072  11.072
   24   1H5*    T   3          1H5*        T   3  -8.499   9.430   9.430
   25   2H5*    T   3          2H5*        T   3  -9.513   8.574   8.574
   26    H4*    T   3           H4*        T   3  -7.421   9.526   9.526
   27    H3*    T   3           H3*        T   3  -8.208   6.717   6.717
   28   1H2*    T   3          1H2*        T   3  -6.190   5.924   5.924
   29   2H2*    T   3          2H2*        T   3  -5.557   6.483   6.483
   30    H1*    T   3           H1*        T   3  -4.852   8.534   8.534
   31    H3     T   3           H3         T   3  -0.959   7.530   7.530
   32   1H5M    T   3          1H5M        T   3  -3.338   5.476   5.476
   33   2H5M    T   3          2H5M        T   3  -3.906   4.278   4.278
   34   3H5M    T   3          3H5M        T   3  -5.032   5.501   5.501
   35    H6     T   3           H6         T   3  -5.573   6.395   6.395
   36   1H5*    G   4          1H5*        G   4  -5.290   8.027   8.027
   37   2H5*    G   4          2H5*        G   4  -5.910   7.303   7.303
   38    H4*    G   4           H4*        G   4  -3.562   6.854   6.854
   39    H3*    G   4           H3*        G   4  -5.449   4.669   4.669
   40   1H2*    G   4          1H2*        G   4  -4.706   3.814   3.814
   41   2H2*    G   4          2H2*        G   4  -3.466   3.088   3.088
   42    H1*    G   4           H1*        G   4  -1.934   4.941   4.941
   43    H8     G   4           H8         G   4  -4.560   4.055   4.055
   44    H1     G   4           H1         G   4   1.359   4.765   4.765
   45   1H2     G   4          1H2         G   4   2.786   5.300   5.300
   46   2H2     G   4          2H2         G   4   2.170   5.502   5.502
   47   1H5*    G   5          1H5*        G   5  -1.002   4.742   4.742
   48   2H5*    G   5          2H5*        G   5  -0.810   3.988   3.988
   49    H4*    G   5           H4*        G   5   1.272   3.765   3.765
   50    H3*    G   5           H3*        G   5  -0.189   1.409   1.409
   51   1H2*    G   5          1H2*        G   5  -0.507   0.688   0.688
   52   2H2*    G   5          2H2*        G   5   1.155   0.105   0.105
   53    H1*    G   5           H1*        G   5   2.064   2.011   2.011
   54    H8     G   5           H8         G   5  -1.701   1.862   1.862
   55    H1     G   5           H1         G   5   1.861   1.474   1.474
   56   1H2     G   5          1H2         G   5   4.086   1.499   1.499
   57   2H2     G   5          2H2         G   5   4.536   1.579   1.579
   58   1H5*    C   6          1H5*        C   6   4.427   1.154   1.154
   59   2H5*    C   6          2H5*        C   6   5.190  -0.083  -0.083
   60    H4*    C   6           H4*        C   6   6.066  -0.112  -0.112
   61    H3*    C   6           H3*        C   6   4.985  -2.417  -2.417
   62   1H2*    C   6          1H2*        C   6   3.572  -3.069  -3.069
   63   2H2*    C   6          2H2*        C   6   4.978  -3.584  -3.584
   64    H1*    C   6           H1*        C   6   5.175  -1.560  -1.560
   65   1H4     C   6          1H4         C   6  -0.655  -1.817  -1.817
   66   2H4     C   6          2H4         C   6  -1.447  -1.573  -1.573
   67    H5     C   6           H5         C   6  -0.271  -1.683  -1.683
   68    H6     C   6           H6         C   6   1.947  -1.563  -1.563
   69   1H5*    C   7          1H5*        C   7   7.333  -2.744  -2.744
   70   2H5*    C   7          2H5*        C   7   8.800  -3.646  -3.646
   71    H4*    C   7           H4*        C   7   8.062  -4.205  -4.205
   72    H3*    C   7           H3*        C   7   7.868  -6.384  -6.384
   73   1H2*    C   7          1H2*        C   7   5.766  -6.933  -6.933
   74   2H2*    C   7          2H2*        C   7   6.340  -7.559  -7.559
   75    H1*    C   7           H1*        C   7   5.968  -5.664  -5.664
   76   1H4     C   7          1H4         C   7  -0.436  -4.708  -4.708
   77   2H4     C   7          2H4         C   7  -0.246  -4.803  -4.803
   78    H5     C   7           H5         C   7   1.884  -5.217  -5.217
   79    H6     C   7           H6         C   7   4.263  -5.586  -5.586
   80   1H5*    A   8          1H5*        A   8   7.655  -6.883  -6.883
   81   2H5*    A   8          2H5*        A   8   9.043  -7.756  -7.756
   82    H4*    A   8           H4*        A   8   7.361  -8.359  -8.359
   83    H3*    A   8           H3*        A   8   8.000 -10.523 -10.523
   84   1H2*    A   8          1H2*        A   8   5.943 -10.715 -10.715
   85   2H2*    A   8          2H2*        A   8   5.528 -11.522 -11.522
   86    H1*    A   8           H1*        A   8   4.657  -9.528  -9.528
   87    H8     A   8           H8         A   8   4.857  -9.416  -9.416
   88   1H6     A   8          1H6         A   8  -0.885  -7.326  -7.326
   89   2H6     A   8          2H6         A   8   0.497  -7.923  -7.923
   90    H2     A   8           H2         A   8   0.273  -8.072  -8.072
   91   1H5*    T   9          1H5*        T   9   5.791 -10.843 -10.843
   92   2H5*    T   9          2H5*        T   9   5.910 -12.337 -12.337
   93    H4*    T   9           H4*        T   9   3.631 -11.271 -11.271
   94    H3*    T   9           H3*        T   9   4.224 -14.079 -14.079
   95   1H2*    T   9          1H2*        T   9   2.840 -14.149 -14.149
   96   2H2*    T   9          2H2*        T   9   1.458 -13.977 -13.977
   97    H1*    T   9           H1*        T   9   1.447 -11.619 -11.619
   98    H3     T   9           H3         T   9  -0.623 -11.037 -11.037
   99   1H5M    T   9          1H5M        T   9   4.495 -12.634 -12.634
  100   2H5M    T   9          2H5M        T   9   3.472 -11.948 -11.948
  101   3H5M    T   9          3H5M        T   9   3.281 -13.648 -13.648
  102    H6     T   9           H6         T   9   3.653 -12.765 -12.765
  103   1H5*    G  10          1H5*        G  10  -0.158 -14.136 -14.136
  104   2H5*    G  10          2H5*        G  10  -0.178 -15.723 -15.723
  105    H4*    G  10           H4*        G  10  -1.920 -15.867 -15.867
  106    H3*    G  10           H3*        G  10   0.534 -17.098 -17.098
  107   1H2*    G  10          1H2*        G  10  -0.422 -16.921 -16.921
  108   2H2*    G  10          2H2*        G  10  -1.932 -17.651 -17.651
  109    H1*    G  10           H1*        G  10  -2.891 -15.638 -15.638
  110    H8     G  10           H8         G  10   0.190 -14.932 -14.932
  111    H1     G  10           H1         G  10  -5.393 -12.835 -12.835
  112   1H2     G  10          1H2         G  10  -7.046 -13.153 -13.153
  113   2H2     G  10          2H2         G  10  -6.624 -13.929 -13.929
  114    H3T    G  10           H3T        G  10  -0.868 -19.034 -19.034
  115   1H5*    C  11          1H5*        C  11  -4.287  -7.410  -7.410
  116   2H5*    C  11          2H5*        C  11  -5.491  -6.866  -6.866
  117    H4*    C  11           H4*        C  11  -7.254  -8.099  -8.099
  118    H3*    C  11           H3*        C  11  -6.428  -7.689  -7.689
  119   1H2*    C  11          1H2*        C  11  -4.331  -8.914  -8.914
  120   2H2*    C  11          2H2*        C  11  -5.366 -10.112 -10.112
  121    H1*    C  11           H1*        C  11  -6.204 -11.066 -11.066
  122   1H4     C  11          1H4         C  11  -0.602 -14.045 -14.045
  123   2H4     C  11          2H4         C  11   0.154 -12.658 -12.658
  124    H5     C  11           H5         C  11  -1.074 -10.503 -10.503
  125    H6     C  11           H6         C  11  -3.168  -9.390  -9.390
  126   1H5*    A  12          1H5*        A  12  -9.522 -10.356 -10.356
  127   2H5*    A  12          2H5*        A  12 -10.845  -9.217  -9.217
  128    H4*    A  12           H4*        A  12  -9.919  -9.899  -9.899
  129    H3*    A  12           H3*        A  12  -9.835  -7.123  -7.123
  130   1H2*    A  12          1H2*        A  12  -7.587  -7.017  -7.017
  131   2H2*    A  12          2H2*        A  12  -7.703  -6.809  -6.809
  132    H1*    A  12           H1*        A  12  -7.278  -9.170  -9.170
  133    H8     A  12           H8         A  12  -6.133  -7.986  -7.986
  134   1H6     A  12          1H6         A  12  -0.705 -10.564 -10.564
  135   2H6     A  12          2H6         A  12  -1.762  -9.710  -9.710
  136    H2     A  12           H2         A  12  -3.115 -10.741 -10.741
  137   1H5*    T  13          1H5*        T  13  -9.111  -8.795  -8.795
  138   2H5*    T  13          2H5*        T  13  -9.815  -7.853  -7.853
  139    H4*    T  13           H4*        T  13  -7.609  -8.861  -8.861
  140    H3*    T  13           H3*        T  13  -8.214  -6.002  -6.002
  141   1H2*    T  13          1H2*        T  13  -6.334  -5.345  -5.345
  142   2H2*    T  13          2H2*        T  13  -5.418  -5.882  -5.882
  143    H1*    T  13           H1*        T  13  -4.996  -8.000  -8.000
  144    H3     T  13           H3         T  13  -1.616  -7.323  -7.323
  145   1H5M    T  13          1H5M        T  13  -4.859  -5.608  -5.608
  146   2H5M    T  13          2H5M        T  13  -4.546  -4.146  -4.146
  147   3H5M    T  13          3H5M        T  13  -6.120  -4.969  -4.969
  148    H6     T  13           H6         T  13  -6.220  -5.952  -5.952
  149   1H5*    G  14          1H5*        G  14  -4.752  -7.514  -7.514
  150   2H5*    G  14          2H5*        G  14  -4.899  -6.847  -6.847
  151    H4*    G  14           H4*        G  14  -2.628  -6.568  -6.568
  152    H3*    G  14           H3*        G  14  -4.246  -4.210  -4.210
  153   1H2*    G  14          1H2*        G  14  -3.922  -3.375  -3.375
  154   2H2*    G  14          2H2*        G  14  -2.411  -2.791  -2.791
  155    H1*    G  14           H1*        G  14  -1.226  -4.761  -4.761
  156    H8     G  14           H8         G  14  -4.311  -3.544  -3.544
  157    H1     G  14           H1         G  14   0.865  -4.697  -4.697
  158   1H2     G  14          1H2         G  14   2.599  -5.312  -5.312
  159   2H2     G  14          2H2         G  14   2.336  -5.491  -5.491
  160   1H5*    G  15          1H5*        G  15   0.289  -4.697  -4.697
  161   2H5*    G  15          2H5*        G  15   0.930  -3.990  -3.990
  162    H4*    G  15           H4*        G  15   2.691  -3.984  -3.984
  163    H3*    G  15           H3*        G  15   1.720  -1.512  -1.512
  164   1H2*    G  15          1H2*        G  15   0.988  -0.697  -0.697
  165   2H2*    G  15          2H2*        G  15   2.695  -0.301  -0.301
  166    H1*    G  15           H1*        G  15   3.106  -2.251  -2.251
  167    H8     G  15           H8         G  15  -0.684  -1.723  -1.723
  168    H1     G  15           H1         G  15   1.635  -1.509  -1.509
  169   1H2     G  15          1H2         G  15   3.926  -1.762  -1.762
  170   2H2     G  15          2H2         G  15   4.717  -1.951  -1.951
  171   1H5*    C  16          1H5*        C  16   5.896  -1.728  -1.728
  172   2H5*    C  16          2H5*        C  16   7.021  -0.642  -0.642
  173    H4*    C  16           H4*        C  16   7.320  -0.543  -0.543
  174    H3*    C  16           H3*        C  16   6.832   1.777   1.777
  175   1H2*    C  16          1H2*        C  16   5.150   2.643   2.643
  176   2H2*    C  16          2H2*        C  16   6.360   3.063   3.063
  177    H1*    C  16           H1*        C  16   6.085   1.084   1.084
  178   1H4     C  16          1H4         C  16  -0.185   1.978   1.978
  179   2H4     C  16          2H4         C  16  -0.645   1.711   1.711
  180    H5     C  16           H5         C  16   0.978   1.658   1.658
  181    H6     C  16           H6         C  16   3.348   1.330   1.330
  182   1H5*    C  17          1H5*        C  17   8.294   2.092   2.092
  183   2H5*    C  17          2H5*        C  17   9.869   2.824   2.824
  184    H4*    C  17           H4*        C  17   8.753   3.578   3.578
  185    H3*    C  17           H3*        C  17   9.208   5.656   5.656
  186   1H2*    C  17          1H2*        C  17   7.114   6.403   6.403
  187   2H2*    C  17          2H2*        C  17   7.392   7.070   7.070
  188    H1*    C  17           H1*        C  17   6.587   5.283   5.283
  189   1H4     C  17          1H4         C  17   0.472   4.789   4.789
  190   2H4     C  17          2H4         C  17   1.050   4.764   4.764
  191    H5     C  17           H5         C  17   3.390   4.975   4.975
  192    H6     C  17           H6         C  17   5.650   5.166   5.166
  193   1H5*    A  18          1H5*        A  18   8.033   6.423   6.423
  194   2H5*    A  18          2H5*        A  18   9.324   7.159   7.159
  195    H4*    A  18           H4*        A  18   7.430   8.019   8.019
  196    H3*    A  18           H3*        A  18   8.667  10.022  10.022
  197   1H2*    A  18          1H2*        A  18   6.871  10.328  10.328
  198   2H2*    A  18          2H2*        A  18   6.205  11.262  11.262
  199    H1*    A  18           H1*        A  18   4.950   9.413   9.413
  200    H8     A  18           H8         A  18   5.993   9.039   9.039
  201   1H6     A  18          1H6         A  18   0.228   7.376   7.376
  202   2H6     A  18          2H6         A  18   1.807   7.843   7.843
  203    H2     A  18           H2         A  18   0.497   8.244   8.244
  204   1H5*    T  19          1H5*        T  19   5.630  10.754  10.754
  205   2H5*    T  19          2H5*        T  19   5.686  12.290  12.290
  206    H4*    T  19           H4*        T  19   3.406  11.442  11.442
  207    H3*    T  19           H3*        T  19   4.426  14.127  14.127
  208   1H2*    T  19          1H2*        T  19   3.466  14.188  14.188
  209   2H2*    T  19          2H2*        T  19   1.869  14.214  14.214
  210    H1*    T  19           H1*        T  19   1.654  11.871  11.871
  211    H3     T  19           H3         T  19   0.489  11.111  11.111
  212   1H5M    T  19          1H5M        T  19   5.796  11.999  11.999
  213   2H5M    T  19          2H5M        T  19   4.922  11.780  11.780
  214   3H5M    T  19          3H5M        T  19   5.035  13.394  13.394
  215    H6     T  19           H6         T  19   4.504  12.612  12.612
  216   1H5*    G  20          1H5*        G  20  -0.199  14.817  14.817
  217   2H5*    G  20          2H5*        G  20  -0.188  16.478  16.478
  218    H4*    G  20           H4*        G  20  -1.602  16.553  16.553
  219    H3*    G  20           H3*        G  20   1.150  17.527  17.527
  220   1H2*    G  20          1H2*        G  20   0.639  17.219  17.219
  221   2H2*    G  20          2H2*        G  20  -0.901  18.075  18.075
  222    H1*    G  20           H1*        G  20  -2.114  16.180  16.180
  223    H8     G  20           H8         G  20   1.315  15.118  15.118
  224    H1     G  20           H1         G  20  -3.756  13.100  13.100
  225   1H2     G  20          1H2         G  20  -5.688  13.571  13.571
  226   2H2     G  20          2H2         G  20  -5.552  14.450  14.450

  Start of MODEL    2
    1   1H5*    C   1          1H5*        C   1  -3.529   9.241   9.241
    2   2H5*    C   1          2H5*        C   1  -4.397   9.930   9.930
    3    H4*    C   1           H4*        C   1  -6.424  10.215  10.215
    4    H3*    C   1           H3*        C   1  -6.113   7.949   7.949
    5   1H2*    C   1          1H2*        C   1  -4.124   8.843   8.843
    6   2H2*    C   1          2H2*        C   1  -5.448   9.123   9.123
    7    H1*    C   1           H1*        C   1  -5.848  11.387  11.387
    8   1H4     C   1          1H4         C   1  -0.330  12.980  12.980
    9   2H4     C   1          2H4         C   1   0.594  12.639  12.639
   10    H5     C   1           H5         C   1  -0.449  11.608  11.608
   11    H6     C   1           H6         C   1  -2.532  10.847  10.847
   12    H5T    C   1           H5T        C   1  -4.293   7.517   7.517
   13   1H5*    A   2          1H5*        A   2  -7.810  10.772  10.772
   14   2H5*    A   2          2H5*        A   2  -9.281   9.881   9.881
   15    H4*    A   2           H4*        A   2  -8.296  10.403  10.403
   16    H3*    A   2           H3*        A   2  -8.341   7.591   7.591
   17   1H2*    A   2          1H2*        A   2  -6.143   7.339   7.339
   18   2H2*    A   2          2H2*        A   2  -6.574   7.276   7.276
   19    H1*    A   2           H1*        A   2  -6.077   9.615   9.615
   20    H8     A   2           H8         A   2  -4.317   8.027   8.027
   21   1H6     A   2          1H6         A   2   0.955  10.348  10.348
   22   2H6     A   2          2H6         A   2   0.101   9.509   9.509
   23    H2     A   2           H2         A   2  -2.194  11.013  11.013
   24   1H5*    T   3          1H5*        T   3  -8.271   9.425   9.425
   25   2H5*    T   3          2H5*        T   3  -9.306   8.627   8.627
   26    H4*    T   3           H4*        T   3  -7.191   9.485   9.485
   27    H3*    T   3           H3*        T   3  -8.044   6.668   6.668
   28   1H2*    T   3          1H2*        T   3  -6.028   5.857   5.857
   29   2H2*    T   3          2H2*        T   3  -5.410   6.399   6.399
   30    H1*    T   3           H1*        T   3  -4.675   8.447   8.447
   31    H3     T   3           H3         T   3  -0.791   7.464   7.464
   32   1H5M    T   3          1H5M        T   3  -3.516   4.379   4.379
   33   2H5M    T   3          2H5M        T   3  -4.907   5.442   5.442
   34   3H5M    T   3          3H5M        T   3  -3.317   5.790   5.790
   35    H6     T   3           H6         T   3  -5.404   6.374   6.374
   36   1H5*    G   4          1H5*        G   4  -5.246   7.923   7.923
   37   2H5*    G   4          2H5*        G   4  -5.874   7.167   7.167
   38    H4*    G   4           H4*        G   4  -3.514   6.763   6.763
   39    H3*    G   4           H3*        G   4  -5.363   4.543   4.543
   40   1H2*    G   4          1H2*        G   4  -4.581   3.727   3.727
   41   2H2*    G   4          2H2*        G   4  -3.340   3.010   3.010
   42    H1*    G   4           H1*        G   4  -1.840   4.901   4.901
   43    H8     G   4           H8         G   4  -4.419   3.965   3.965
   44    H1     G   4           H1         G   4   1.560   4.677   4.677
   45   1H2     G   4          1H2         G   4   2.951   5.155   5.155
   46   2H2     G   4          2H2         G   4   2.286   5.370   5.370
   47   1H5*    G   5          1H5*        G   5  -0.907   4.714   4.714
   48   2H5*    G   5          2H5*        G   5  -0.720   3.956   3.956
   49    H4*    G   5           H4*        G   5   1.382   3.775   3.775
   50    H3*    G   5           H3*        G   5  -0.053   1.398   1.398
   51   1H2*    G   5          1H2*        G   5  -0.352   0.683   0.683
   52   2H2*    G   5          2H2*        G   5   1.315   0.110   0.110
   53    H1*    G   5           H1*        G   5   2.217   2.029   2.029
   54    H8     G   5           H8         G   5  -1.537   1.837   1.837
   55    H1     G   5           H1         G   5   2.123   1.408   1.408
   56   1H2     G   5          1H2         G   5   4.341   1.430   1.430
   57   2H2     G   5          2H2         G   5   4.750   1.560   1.560
   58   1H5*    C   6          1H5*        C   6   4.583   1.153   1.153
   59   2H5*    C   6          2H5*        C   6   5.337  -0.087  -0.087
   60    H4*    C   6           H4*        C   6   6.222  -0.114  -0.114
   61    H3*    C   6           H3*        C   6   5.136  -2.426  -2.426
   62   1H2*    C   6          1H2*        C   6   3.728  -3.065  -3.065
   63   2H2*    C   6          2H2*        C   6   5.137  -3.582  -3.582
   64    H1*    C   6           H1*        C   6   5.347  -1.553  -1.553
   65   1H4     C   6          1H4         C   6  -0.435  -1.859  -1.859
   66   2H4     C   6          2H4         C   6  -1.254  -1.572  -1.572
   67    H5     C   6           H5         C   6  -0.104  -1.657  -1.657
   68    H6     C   6           H6         C   6   2.106  -1.541  -1.541
   69   1H5*    C   7          1H5*        C   7   7.489  -2.750  -2.750
   70   2H5*    C   7          2H5*        C   7   8.954  -3.661  -3.661
   71    H4*    C   7           H4*        C   7   8.192  -4.192  -4.192
   72    H3*    C   7           H3*        C   7   8.030  -6.394  -6.394
   73   1H2*    C   7          1H2*        C   7   5.916  -6.927  -6.927
   74   2H2*    C   7          2H2*        C   7   6.458  -7.558  -7.558
   75    H1*    C   7           H1*        C   7   6.088  -5.639  -5.639
   76   1H4     C   7          1H4         C   7  -0.288  -4.713  -4.713
   77   2H4     C   7          2H4         C   7  -0.101  -4.782  -4.782
   78    H5     C   7           H5         C   7   2.038  -5.211  -5.211
   79    H6     C   7           H6         C   7   4.419  -5.574  -5.574
   80   1H5*    A   8          1H5*        A   8   7.668  -6.942  -6.942
   81   2H5*    A   8          2H5*        A   8   9.046  -7.817  -7.817
   82    H4*    A   8           H4*        A   8   7.358  -8.504  -8.504
   83    H3*    A   8           H3*        A   8   7.985 -10.597 -10.597
   84   1H2*    A   8          1H2*        A   8   5.922 -10.709 -10.709
   85   2H2*    A   8          2H2*        A   8   5.498 -11.595 -11.595
   86    H1*    A   8           H1*        A   8   4.645  -9.648  -9.648
   87    H8     A   8           H8         A   8   4.850  -9.328  -9.328
   88   1H6     A   8          1H6         A   8  -0.908  -7.260  -7.260
   89   2H6     A   8          2H6         A   8   0.469  -7.810  -7.810
   90    H2     A   8           H2         A   8   0.275  -8.170  -8.170
   91   1H5*    T   9          1H5*        T   9   5.721 -11.074 -11.074
   92   2H5*    T   9          2H5*        T   9   5.862 -12.610 -12.610
   93    H4*    T   9           H4*        T   9   3.570 -11.608 -11.608
   94    H3*    T   9           H3*        T   9   4.226 -14.347 -14.347
   95   1H2*    T   9          1H2*        T   9   2.801 -14.310 -14.310
   96   2H2*    T   9          2H2*        T   9   1.437 -14.228 -14.228
   97    H1*    T   9           H1*        T   9   1.395 -11.873 -11.873
   98    H3     T   9           H3         T   9  -0.679 -10.937 -10.937
   99   1H5M    T   9          1H5M        T   9   4.419 -12.509 -12.509
  100   2H5M    T   9          2H5M        T   9   3.400 -11.703 -11.703
  101   3H5M    T   9          3H5M        T   9   3.194 -13.437 -13.437
  102    H6     T   9           H6         T   9   3.589 -12.795 -12.795
  103   1H5*    G  10          1H5*        G  10  -0.117 -14.653 -14.653
  104   2H5*    G  10          2H5*        G  10  -0.116 -16.328 -16.328
  105    H4*    G  10           H4*        G  10  -1.964 -16.161 -16.161
  106    H3*    G  10           H3*        G  10   0.361 -17.492 -17.492
  107   1H2*    G  10          1H2*        G  10  -0.587 -17.087 -17.087
  108   2H2*    G  10          2H2*        G  10  -2.147 -17.737 -17.737
  109    H1*    G  10           H1*        G  10  -2.948 -15.707 -15.707
  110    H8     G  10           H8         G  10   0.179 -15.075 -15.075
  111    H1     G  10           H1         G  10  -5.262 -12.530 -12.530
  112   1H2     G  10          1H2         G  10  -6.908 -12.742 -12.742
  113   2H2     G  10          2H2         G  10  -6.543 -13.611 -13.611
  114    H3T    G  10           H3T        G  10  -1.203 -19.324 -19.324
  115   1H5*    C  11          1H5*        C  11  -4.955  -6.997  -6.997
  116   2H5*    C  11          2H5*        C  11  -6.354  -6.616  -6.616
  117    H4*    C  11           H4*        C  11  -7.859  -7.894  -7.894
  118    H3*    C  11           H3*        C  11  -6.665  -7.311  -7.311
  119   1H2*    C  11          1H2*        C  11  -4.585  -8.428  -8.428
  120   2H2*    C  11          2H2*        C  11  -5.401  -9.648  -9.648
  121    H1*    C  11           H1*        C  11  -6.449 -10.749 -10.749
  122   1H4     C  11          1H4         C  11  -0.792 -13.308 -13.308
  123   2H4     C  11          2H4         C  11  -0.305 -11.921 -11.921
  124    H5     C  11           H5         C  11  -1.730  -9.875  -9.875
  125    H6     C  11           H6         C  11  -3.808  -8.907  -8.907
  126   1H5*    A  12          1H5*        A  12  -9.639 -10.151 -10.151
  127   2H5*    A  12          2H5*        A  12 -10.983  -9.051  -9.051
  128    H4*    A  12           H4*        A  12  -9.995  -9.671  -9.671
  129    H3*    A  12           H3*        A  12  -9.899  -6.906  -6.906
  130   1H2*    A  12          1H2*        A  12  -7.660  -6.831  -6.831
  131   2H2*    A  12          2H2*        A  12  -7.707  -6.600  -6.600
  132    H1*    A  12           H1*        A  12  -7.272  -8.953  -8.953
  133    H8     A  12           H8         A  12  -6.290  -7.786  -7.786
  134   1H6     A  12          1H6         A  12  -0.816 -10.376 -10.376
  135   2H6     A  12          2H6         A  12  -1.914  -9.511  -9.511
  136    H2     A  12           H2         A  12  -3.087 -10.629 -10.629
  137   1H5*    T  13          1H5*        T  13  -9.147  -8.512  -8.512
  138   2H5*    T  13          2H5*        T  13  -9.742  -7.495  -7.495
  139    H4*    T  13           H4*        T  13  -7.572  -8.639  -8.639
  140    H3*    T  13           H3*        T  13  -8.034  -5.751  -5.751
  141   1H2*    T  13          1H2*        T  13  -6.161  -5.194  -5.194
  142   2H2*    T  13          2H2*        T  13  -5.224  -5.775  -5.775
  143    H1*    T  13           H1*        T  13  -4.933  -7.919  -7.919
  144    H3     T  13           H3         T  13  -1.604  -7.283  -7.283
  145   1H5M    T  13          1H5M        T  13  -4.597  -3.977  -3.977
  146   2H5M    T  13          2H5M        T  13  -6.131  -4.872  -4.872
  147   3H5M    T  13          3H5M        T  13  -4.842  -5.413  -5.413
  148    H6     T  13           H6         T  13  -6.170  -5.813  -5.813
  149   1H5*    G  14          1H5*        G  14  -4.571  -7.335  -7.335
  150   2H5*    G  14          2H5*        G  14  -4.681  -6.557  -6.557
  151    H4*    G  14           H4*        G  14  -2.413  -6.413  -6.413
  152    H3*    G  14           H3*        G  14  -3.922  -3.984  -3.984
  153   1H2*    G  14          1H2*        G  14  -3.579  -3.253  -3.253
  154   2H2*    G  14          2H2*        G  14  -2.051  -2.692  -2.692
  155    H1*    G  14           H1*        G  14  -0.938  -4.748  -4.748
  156    H8     G  14           H8         G  14  -3.993  -3.523  -3.523
  157    H1     G  14           H1         G  14   1.138  -4.794  -4.794
  158   1H2     G  14          1H2         G  14   2.871  -5.440  -5.440
  159   2H2     G  14          2H2         G  14   2.603  -5.610  -5.610
  160   1H5*    G  15          1H5*        G  15   0.635  -4.693  -4.693
  161   2H5*    G  15          2H5*        G  15   1.306  -3.970  -3.970
  162    H4*    G  15           H4*        G  15   3.055  -4.060  -4.060
  163    H3*    G  15           H3*        G  15   2.185  -1.540  -1.540
  164   1H2*    G  15          1H2*        G  15   1.419  -0.742  -0.742
  165   2H2*    G  15          2H2*        G  15   3.131  -0.380  -0.380
  166    H1*    G  15           H1*        G  15   3.482  -2.345  -2.345
  167    H8     G  15           H8         G  15  -0.284  -1.729  -1.729
  168    H1     G  15           H1         G  15   1.926  -1.609  -1.609
  169   1H2     G  15          1H2         G  15   4.221  -1.889  -1.889
  170   2H2     G  15          2H2         G  15   5.034  -2.091  -2.091
  171   1H5*    C  16          1H5*        C  16   6.326  -1.765  -1.765
  172   2H5*    C  16          2H5*        C  16   7.460  -0.651  -0.651
  173    H4*    C  16           H4*        C  16   7.677  -0.598  -0.598
  174    H3*    C  16           H3*        C  16   7.213   1.757   1.757
  175   1H2*    C  16          1H2*        C  16   5.501   2.576   2.576
  176   2H2*    C  16          2H2*        C  16   6.681   2.954   2.954
  177    H1*    C  16           H1*        C  16   6.382   0.939   0.939
  178   1H4     C  16          1H4         C  16   0.095   1.902   1.902
  179   2H4     C  16          2H4         C  16  -0.330   1.698   1.698
  180    H5     C  16           H5         C  16   1.330   1.592   1.592
  181    H6     C  16           H6         C  16   3.711   1.241   1.241
  182   1H5*    C  17          1H5*        C  17   8.592   1.901   1.901
  183   2H5*    C  17          2H5*        C  17  10.157   2.648   2.648
  184    H4*    C  17           H4*        C  17   8.959   3.258   3.258
  185    H3*    C  17           H3*        C  17   9.542   5.438   5.438
  186   1H2*    C  17          1H2*        C  17   7.455   6.207   6.207
  187   2H2*    C  17          2H2*        C  17   7.659   6.807   6.807
  188    H1*    C  17           H1*        C  17   6.795   4.968   4.968
  189   1H4     C  17          1H4         C  17   0.767   4.707   4.707
  190   2H4     C  17          2H4         C  17   1.394   4.743   4.743
  191    H5     C  17           H5         C  17   3.759   4.940   4.940
  192    H6     C  17           H6         C  17   5.997   5.035   5.035
  193   1H5*    A  18          1H5*        A  18   8.119   6.127   6.127
  194   2H5*    A  18          2H5*        A  18   9.366   6.823   6.823
  195    H4*    A  18           H4*        A  18   7.449   7.749   7.749
  196    H3*    A  18           H3*        A  18   8.780   9.730   9.730
  197   1H2*    A  18          1H2*        A  18   7.039  10.024  10.024
  198   2H2*    A  18          2H2*        A  18   6.330  10.987  10.987
  199    H1*    A  18           H1*        A  18   5.029   9.148   9.148
  200    H8     A  18           H8         A  18   6.210   8.733   8.733
  201   1H6     A  18          1H6         A  18   0.426   7.368   7.368
  202   2H6     A  18          2H6         A  18   2.052   7.755   7.755
  203    H2     A  18           H2         A  18   0.561   8.138   8.138
  204   1H5*    T  19          1H5*        T  19   5.568  10.516  10.516
  205   2H5*    T  19          2H5*        T  19   5.622  12.046  12.046
  206    H4*    T  19           H4*        T  19   3.361  11.306  11.306
  207    H3*    T  19           H3*        T  19   4.516  13.930  13.930
  208   1H2*    T  19          1H2*        T  19   3.642  13.943  13.943
  209   2H2*    T  19          2H2*        T  19   2.018  14.082  14.082
  210    H1*    T  19           H1*        T  19   1.699  11.738  11.738
  211    H3     T  19           H3         T  19   0.600  10.912  10.912
  212   1H5M    T  19          1H5M        T  19   5.953  11.617  11.617
  213   2H5M    T  19          2H5M        T  19   5.141  11.183  11.183
  214   3H5M    T  19          3H5M        T  19   5.247  12.886  12.886
  215    H6     T  19           H6         T  19   4.632  12.268  12.268
  216   1H5*    G  20          1H5*        G  20  -0.166  14.733  14.733
  217   2H5*    G  20          2H5*        G  20  -0.155  16.422  16.422
  218    H4*    G  20           H4*        G  20  -1.606  16.301  16.301
  219    H3*    G  20           H3*        G  20   1.061  17.557  17.557
  220   1H2*    G  20          1H2*        G  20   0.759  17.146  17.146
  221   2H2*    G  20          2H2*        G  20  -0.849  17.877  17.877
  222    H1*    G  20           H1*        G  20  -1.954  15.885  15.885
  223    H8     G  20           H8         G  20   1.675  15.082  15.082
  224    H1     G  20           H1         G  20  -2.771  13.026  13.026
  225   1H2     G  20          1H2         G  20  -4.872  13.309  13.309
  226   2H2     G  20          2H2         G  20  -5.010  14.085  14.085

  Start of MODEL    3
    1   1H5*    C   1          1H5*        C   1  -1.824   6.929   6.929
    2   2H5*    C   1          2H5*        C   1  -2.852   6.515   6.515
    3    H4*    C   1           H4*        C   1  -4.465   8.150   8.150
    4    H3*    C   1           H3*        C   1  -4.284   7.848   7.848
    5   1H2*    C   1          1H2*        C   1  -1.972   8.645   8.645
    6   2H2*    C   1          2H2*        C   1  -2.903  10.105  10.105
    7    H1*    C   1           H1*        C   1  -3.063  10.958  10.958
    8   1H4     C   1          1H4         C   1   3.076  12.699  12.699
    9   2H4     C   1          2H4         C   1   3.662  11.108  11.108
   10    H5     C   1           H5         C   1   2.082   9.205   9.205
   11    H6     C   1           H6         C   1  -0.248   8.583   8.583
   12    H5T    C   1           H5T        C   1  -3.142   4.983   4.983
   13   1H5*    A   2          1H5*        A   2  -7.282  11.022  11.022
   14   2H5*    A   2          2H5*        A   2  -8.789  10.089  10.089
   15    H4*    A   2           H4*        A   2  -8.333  10.681  10.681
   16    H3*    A   2           H3*        A   2  -8.336   7.892   7.892
   17   1H2*    A   2          1H2*        A   2  -6.173   7.582   7.582
   18   2H2*    A   2          2H2*        A   2  -6.704   7.433   7.433
   19    H1*    A   2           H1*        A   2  -6.141   9.750   9.750
   20    H8     A   2           H8         A   2  -4.366   8.331   8.331
   21   1H6     A   2          1H6         A   2   0.902  10.446  10.446
   22   2H6     A   2          2H6         A   2   0.033   9.642   9.642
   23    H2     A   2           H2         A   2  -2.271  11.033  11.033
   24   1H5*    T   3          1H5*        T   3  -8.502   9.567   9.567
   25   2H5*    T   3          2H5*        T   3  -9.550   8.680   8.680
   26    H4*    T   3           H4*        T   3  -7.462   9.575   9.575
   27    H3*    T   3           H3*        T   3  -8.325   6.783   6.783
   28   1H2*    T   3          1H2*        T   3  -6.311   5.943   5.943
   29   2H2*    T   3          2H2*        T   3  -5.700   6.452   6.452
   30    H1*    T   3           H1*        T   3  -4.924   8.502   8.502
   31    H3     T   3           H3         T   3  -1.025   7.471   7.471
   32   1H5M    T   3          1H5M        T   3  -3.601   5.904   5.904
   33   2H5M    T   3          2H5M        T   3  -3.674   4.460   4.460
   34   3H5M    T   3          3H5M        T   3  -5.142   5.435   5.435
   35    H6     T   3           H6         T   3  -5.655   6.475   6.475
   36   1H5*    G   4          1H5*        G   4  -5.474   8.011   8.011
   37   2H5*    G   4          2H5*        G   4  -6.080   7.284   7.284
   38    H4*    G   4           H4*        G   4  -3.722   6.868   6.868
   39    H3*    G   4           H3*        G   4  -5.585   4.663   4.663
   40   1H2*    G   4          1H2*        G   4  -4.848   3.794   3.794
   41   2H2*    G   4          2H2*        G   4  -3.588   3.094   3.094
   42    H1*    G   4           H1*        G   4  -2.094   4.972   4.972
   43    H8     G   4           H8         G   4  -4.721   4.017   4.017
   44    H1     G   4           H1         G   4   1.231   4.661   4.661
   45   1H2     G   4          1H2         G   4   2.648   5.163   5.163
   46   2H2     G   4          2H2         G   4   2.003   5.410   5.410
   47   1H5*    G   5          1H5*        G   5  -1.121   4.818   4.818
   48   2H5*    G   5          2H5*        G   5  -0.903   4.091   4.091
   49    H4*    G   5           H4*        G   5   1.169   3.879   3.879
   50    H3*    G   5           H3*        G   5  -0.253   1.515   1.515
   51   1H2*    G   5          1H2*        G   5  -0.572   0.759   0.759
   52   2H2*    G   5          2H2*        G   5   1.099   0.200   0.200
   53    H1*    G   5           H1*        G   5   1.973   2.107   2.107
   54    H8     G   5           H8         G   5  -1.793   1.906   1.906
   55    H1     G   5           H1         G   5   1.783   1.422   1.422
   56   1H2     G   5          1H2         G   5   4.009   1.477   1.477
   57   2H2     G   5          2H2         G   5   4.447   1.633   1.633
   58   1H5*    C   6          1H5*        C   6   4.365   1.312   1.312
   59   2H5*    C   6          2H5*        C   6   5.154   0.089   0.089
   60    H4*    C   6           H4*        C   6   5.990   0.067   0.067
   61    H3*    C   6           H3*        C   6   4.991  -2.256  -2.256
   62   1H2*    C   6          1H2*        C   6   3.564  -2.950  -2.950
   63   2H2*    C   6          2H2*        C   6   4.964  -3.440  -3.440
   64    H1*    C   6           H1*        C   6   5.099  -1.407  -1.407
   65   1H4     C   6          1H4         C   6  -0.730  -1.863  -1.863
   66   2H4     C   6          2H4         C   6  -1.525  -1.599  -1.599
   67    H5     C   6           H5         C   6  -0.332  -1.641  -1.641
   68    H6     C   6           H6         C   6   1.896  -1.469  -1.469
   69   1H5*    C   7          1H5*        C   7   7.271  -2.524  -2.524
   70   2H5*    C   7          2H5*        C   7   8.768  -3.395  -3.395
   71    H4*    C   7           H4*        C   7   7.973  -3.939  -3.939
   72    H3*    C   7           H3*        C   7   7.906  -6.156  -6.156
   73   1H2*    C   7          1H2*        C   7   5.802  -6.740  -6.740
   74   2H2*    C   7          2H2*        C   7   6.336  -7.349  -7.349
   75    H1*    C   7           H1*        C   7   5.894  -5.442  -5.442
   76   1H4     C   7          1H4         C   7  -0.497  -4.714  -4.714
   77   2H4     C   7          2H4         C   7  -0.282  -4.800  -4.800
   78    H5     C   7           H5         C   7   1.893  -5.152  -5.152
   79    H6     C   7           H6         C   7   4.273  -5.444  -5.444
   80   1H5*    A   8          1H5*        A   8   7.535  -6.590  -6.590
   81   2H5*    A   8          2H5*        A   8   8.931  -7.436  -7.436
   82    H4*    A   8           H4*        A   8   7.223  -8.038  -8.038
   83    H3*    A   8           H3*        A   8   8.036 -10.179 -10.179
   84   1H2*    A   8          1H2*        A   8   6.010 -10.498 -10.498
   85   2H2*    A   8          2H2*        A   8   5.590 -11.316 -11.316
   86    H1*    A   8           H1*        A   8   4.583  -9.373  -9.373
   87    H8     A   8           H8         A   8   4.907  -9.239  -9.239
   88   1H6     A   8          1H6         A   8  -0.902  -7.291  -7.291
   89   2H6     A   8          2H6         A   8   0.512  -7.842  -7.842
   90    H2     A   8           H2         A   8   0.135  -8.121  -8.121
   91   1H5*    T   9          1H5*        T   9   5.725 -10.635 -10.635
   92   2H5*    T   9          2H5*        T   9   5.917 -12.128 -12.128
   93    H4*    T   9           H4*        T   9   3.585 -11.229 -11.229
   94    H3*    T   9           H3*        T   9   4.385 -13.977 -13.977
   95   1H2*    T   9          1H2*        T   9   2.989 -14.107 -14.107
   96   2H2*    T   9          2H2*        T   9   1.602 -14.011 -14.011
   97    H1*    T   9           H1*        T   9   1.461 -11.661 -11.661
   98    H3     T   9           H3         T   9  -0.542 -11.102 -11.102
   99   1H5M    T   9          1H5M        T   9   3.586 -11.858 -11.858
  100   2H5M    T   9          2H5M        T   9   3.580 -13.543 -13.543
  101   3H5M    T   9          3H5M        T   9   4.663 -12.356 -12.356
  102    H6     T   9           H6         T   9   3.778 -12.652 -12.652
  103   1H5*    G  10          1H5*        G  10   0.020 -14.301 -14.301
  104   2H5*    G  10          2H5*        G  10   0.095 -15.919 -15.919
  105    H4*    G  10           H4*        G  10  -1.750 -16.003 -16.003
  106    H3*    G  10           H3*        G  10   0.657 -17.256 -17.256
  107   1H2*    G  10          1H2*        G  10  -0.317 -17.038 -17.038
  108   2H2*    G  10          2H2*        G  10  -1.819 -17.781 -17.781
  109    H1*    G  10           H1*        G  10  -2.772 -15.774 -15.774
  110    H8     G  10           H8         G  10   0.277 -15.035 -15.035
  111    H1     G  10           H1         G  10  -5.342 -12.882 -12.882
  112   1H2     G  10          1H2         G  10  -6.976 -13.255 -13.255
  113   2H2     G  10          2H2         G  10  -6.527 -14.069 -14.069
  114    H3T    G  10           H3T        G  10  -0.770 -19.171 -19.171
  115   1H5*    C  11          1H5*        C  11  -4.384  -6.672  -6.672
  116   2H5*    C  11          2H5*        C  11  -5.629  -6.157  -6.157
  117    H4*    C  11           H4*        C  11  -7.240  -7.685  -7.685
  118    H3*    C  11           H3*        C  11  -6.483  -7.479  -7.479
  119   1H2*    C  11          1H2*        C  11  -4.256  -8.404  -8.404
  120   2H2*    C  11          2H2*        C  11  -5.152  -9.812  -9.812
  121    H1*    C  11           H1*        C  11  -5.845 -10.604 -10.604
  122   1H4     C  11          1H4         C  11   0.056 -12.798 -12.798
  123   2H4     C  11          2H4         C  11   0.653 -11.242 -11.242
  124    H5     C  11           H5         C  11  -0.807  -9.216  -9.216
  125    H6     C  11           H6         C  11  -3.015  -8.424  -8.424
  126   1H5*    A  12          1H5*        A  12  -9.174 -10.494 -10.494
  127   2H5*    A  12          2H5*        A  12 -10.633  -9.545  -9.545
  128    H4*    A  12           H4*        A  12  -9.704 -10.094 -10.094
  129    H3*    A  12           H3*        A  12  -9.727  -7.318  -7.318
  130   1H2*    A  12          1H2*        A  12  -7.503  -7.000  -7.000
  131   2H2*    A  12          2H2*        A  12  -7.723  -6.956  -6.956
  132    H1*    A  12           H1*        A  12  -7.147  -9.256  -9.256
  133    H8     A  12           H8         A  12  -6.000  -7.943  -7.943
  134   1H6     A  12          1H6         A  12  -0.582 -10.594 -10.594
  135   2H6     A  12          2H6         A  12  -1.616  -9.727  -9.727
  136    H2     A  12           H2         A  12  -3.015 -10.790 -10.790
  137   1H5*    T  13          1H5*        T  13  -9.158  -8.878  -8.878
  138   2H5*    T  13          2H5*        T  13  -9.917  -7.961  -7.961
  139    H4*    T  13           H4*        T  13  -7.687  -8.897  -8.897
  140    H3*    T  13           H3*        T  13  -8.318  -6.039  -6.039
  141   1H2*    T  13          1H2*        T  13  -6.406  -5.383  -5.383
  142   2H2*    T  13          2H2*        T  13  -5.516  -5.959  -5.959
  143    H1*    T  13           H1*        T  13  -5.103  -8.068  -8.068
  144    H3     T  13           H3         T  13  -1.685  -7.338  -7.338
  145   1H5M    T  13          1H5M        T  13  -4.638  -4.033  -4.033
  146   2H5M    T  13          2H5M        T  13  -6.169  -4.939  -4.939
  147   3H5M    T  13          3H5M        T  13  -4.832  -5.437  -5.437
  148    H6     T  13           H6         T  13  -6.283  -5.953  -5.953
  149   1H5*    G  14          1H5*        G  14  -4.916  -7.540  -7.540
  150   2H5*    G  14          2H5*        G  14  -5.098  -6.778  -6.778
  151    H4*    G  14           H4*        G  14  -2.797  -6.610  -6.610
  152    H3*    G  14           H3*        G  14  -4.355  -4.213  -4.213
  153   1H2*    G  14          1H2*        G  14  -3.998  -3.421  -3.421
  154   2H2*    G  14          2H2*        G  14  -2.488  -2.845  -2.845
  155    H1*    G  14           H1*        G  14  -1.320  -4.849  -4.849
  156    H8     G  14           H8         G  14  -4.362  -3.640  -3.640
  157    H1     G  14           H1         G  14   0.874  -4.724  -4.724
  158   1H2     G  14          1H2         G  14   2.598  -5.330  -5.330
  159   2H2     G  14          2H2         G  14   2.298  -5.551  -5.551
  160   1H5*    G  15          1H5*        G  15   0.220  -4.762  -4.762
  161   2H5*    G  15          2H5*        G  15   0.852  -4.040  -4.040
  162    H4*    G  15           H4*        G  15   2.621  -4.063  -4.063
  163    H3*    G  15           H3*        G  15   1.653  -1.582  -1.582
  164   1H2*    G  15          1H2*        G  15   0.929  -0.767  -0.767
  165   2H2*    G  15          2H2*        G  15   2.637  -0.380  -0.380
  166    H1*    G  15           H1*        G  15   3.047  -2.323  -2.323
  167    H8     G  15           H8         G  15  -0.746  -1.808  -1.808
  168    H1     G  15           H1         G  15   1.582  -1.550  -1.550
  169   1H2     G  15          1H2         G  15   3.879  -1.798  -1.798
  170   2H2     G  15          2H2         G  15   4.661  -2.015  -2.015
  171   1H5*    C  16          1H5*        C  16   5.844  -1.802  -1.802
  172   2H5*    C  16          2H5*        C  16   6.965  -0.692  -0.692
  173    H4*    C  16           H4*        C  16   7.236  -0.665  -0.665
  174    H3*    C  16           H3*        C  16   6.816   1.705   1.705
  175   1H2*    C  16          1H2*        C  16   5.125   2.563   2.563
  176   2H2*    C  16          2H2*        C  16   6.323   2.938   2.938
  177    H1*    C  16           H1*        C  16   6.000   0.926   0.926
  178   1H4     C  16          1H4         C  16  -0.258   1.909   1.909
  179   2H4     C  16          2H4         C  16  -0.707   1.699   1.699
  180    H5     C  16           H5         C  16   0.926   1.623   1.623
  181    H6     C  16           H6         C  16   3.297   1.267   1.267
  182   1H5*    C  17          1H5*        C  17   8.206   1.886   1.886
  183   2H5*    C  17          2H5*        C  17   9.791   2.596   2.596
  184    H4*    C  17           H4*        C  17   8.636   3.286   3.286
  185    H3*    C  17           H3*        C  17   9.174   5.430   5.430
  186   1H2*    C  17          1H2*        C  17   7.089   6.208   6.208
  187   2H2*    C  17          2H2*        C  17   7.337   6.813   6.813
  188    H1*    C  17           H1*        C  17   6.486   4.993   4.993
  189   1H4     C  17          1H4         C  17   0.411   4.707   4.707
  190   2H4     C  17          2H4         C  17   1.014   4.730   4.730
  191    H5     C  17           H5         C  17   3.376   4.903   4.903
  192    H6     C  17           H6         C  17   5.624   5.018   5.018
  193   1H5*    A  18          1H5*        A  18   7.864   6.144   6.144
  194   2H5*    A  18          2H5*        A  18   9.173   6.791   6.791
  195    H4*    A  18           H4*        A  18   7.329   7.732   7.732
  196    H3*    A  18           H3*        A  18   8.610   9.738   9.738
  197   1H2*    A  18          1H2*        A  18   6.839  10.056  10.056
  198   2H2*    A  18          2H2*        A  18   6.186  11.015  11.015
  199    H1*    A  18           H1*        A  18   4.864   9.203   9.203
  200    H8     A  18           H8         A  18   5.968   8.793   8.793
  201   1H6     A  18          1H6         A  18   0.200   7.321   7.321
  202   2H6     A  18          2H6         A  18   1.816   7.719   7.719
  203    H2     A  18           H2         A  18   0.373   8.191   8.191
  204   1H5*    T  19          1H5*        T  19   5.523  10.536  10.536
  205   2H5*    T  19          2H5*        T  19   5.612  12.072  12.072
  206    H4*    T  19           H4*        T  19   3.318  11.298  11.298
  207    H3*    T  19           H3*        T  19   4.434  13.947  13.947
  208   1H2*    T  19          1H2*        T  19   3.536  14.031  14.031
  209   2H2*    T  19          2H2*        T  19   1.920  14.117  14.117
  210    H1*    T  19           H1*        T  19   1.624  11.785  11.785
  211    H3     T  19           H3         T  19   0.546  11.022  11.022
  212   1H5M    T  19          1H5M        T  19   5.269  11.200  11.200
  213   2H5M    T  19          2H5M        T  19   4.901  12.923  12.923
  214   3H5M    T  19          3H5M        T  19   5.849  12.347  12.347
  215    H6     T  19           H6         T  19   4.547  12.421  12.421
  216   1H5*    G  20          1H5*        G  20  -0.165  14.835  14.835
  217   2H5*    G  20          2H5*        G  20  -0.112  16.500  16.500
  218    H4*    G  20           H4*        G  20  -1.463  16.607  16.607
  219    H3*    G  20           H3*        G  20   1.346  17.445  17.445
  220   1H2*    G  20          1H2*        G  20   0.859  17.134  17.134
  221   2H2*    G  20          2H2*        G  20  -0.651  18.048  18.048
  222    H1*    G  20           H1*        G  20  -1.944  16.208  16.208
  223    H8     G  20           H8         G  20   1.467  15.004  15.004
  224    H1     G  20           H1         G  20  -3.613  13.081  13.081
  225   1H2     G  20          1H2         G  20  -5.543  13.603  13.603
  226   2H2     G  20          2H2         G  20  -5.406  14.502  14.502

  Start of MODEL    4
    1   1H5*    C   1          1H5*        C   1  -1.868   7.132   7.132
    2   2H5*    C   1          2H5*        C   1  -2.890   6.667   6.667
    3    H4*    C   1           H4*        C   1  -4.558   8.247   8.247
    4    H3*    C   1           H3*        C   1  -4.378   7.924   7.924
    5   1H2*    C   1          1H2*        C   1  -2.076   8.762   8.762
    6   2H2*    C   1          2H2*        C   1  -3.037  10.187  10.187
    7    H1*    C   1           H1*        C   1  -3.217  11.096  11.096
    8   1H4     C   1          1H4         C   1   2.905  12.914  12.914
    9   2H4     C   1          2H4         C   1   3.503  11.347  11.347
   10    H5     C   1           H5         C   1   1.944   9.436   9.436
   11    H6     C   1           H6         C   1  -0.373   8.780   8.780
   12    H5T    C   1           H5T        C   1  -3.088   5.133   5.133
   13   1H5*    A   2          1H5*        A   2  -7.385  10.994  10.994
   14   2H5*    A   2          2H5*        A   2  -8.875  10.035  10.035
   15    H4*    A   2           H4*        A   2  -8.360  10.592  10.592
   16    H3*    A   2           H3*        A   2  -8.381   7.818   7.818
   17   1H2*    A   2          1H2*        A   2  -6.168   7.483   7.483
   18   2H2*    A   2          2H2*        A   2  -6.708   7.325   7.325
   19    H1*    A   2           H1*        A   2  -6.163   9.627   9.627
   20    H8     A   2           H8         A   2  -4.364   8.281   8.281
   21   1H6     A   2          1H6         A   2   0.862  10.488  10.488
   22   2H6     A   2          2H6         A   2   0.007   9.680   9.680
   23    H2     A   2           H2         A   2  -2.320  10.983  10.983
   24   1H5*    T   3          1H5*        T   3  -8.472   9.480   9.480
   25   2H5*    T   3          2H5*        T   3  -9.540   8.615   8.615
   26    H4*    T   3           H4*        T   3  -7.449   9.448   9.448
   27    H3*    T   3           H3*        T   3  -8.319   6.646   6.646
   28   1H2*    T   3          1H2*        T   3  -6.297   5.827   5.827
   29   2H2*    T   3          2H2*        T   3  -5.694   6.322   6.322
   30    H1*    T   3           H1*        T   3  -4.925   8.387   8.387
   31    H3     T   3           H3         T   3  -1.031   7.431   7.431
   32   1H5M    T   3          1H5M        T   3  -3.719   4.369   4.369
   33   2H5M    T   3          2H5M        T   3  -5.147   5.386   5.386
   34   3H5M    T   3          3H5M        T   3  -3.579   5.788   5.788
   35    H6     T   3           H6         T   3  -5.650   6.379   6.379
   36   1H5*    G   4          1H5*        G   4  -5.507   7.853   7.853
   37   2H5*    G   4          2H5*        G   4  -6.101   7.097   7.097
   38    H4*    G   4           H4*        G   4  -3.744   6.718   6.718
   39    H3*    G   4           H3*        G   4  -5.561   4.470   4.470
   40   1H2*    G   4          1H2*        G   4  -4.807   3.665   3.665
   41   2H2*    G   4          2H2*        G   4  -3.536   2.963   2.963
   42    H1*    G   4           H1*        G   4  -2.070   4.864   4.864
   43    H8     G   4           H8         G   4  -4.681   3.901   3.901
   44    H1     G   4           H1         G   4   1.262   4.653   4.653
   45   1H2     G   4          1H2         G   4   2.671   5.152   5.152
   46   2H2     G   4          2H2         G   4   2.033   5.379   5.379
   47   1H5*    G   5          1H5*        G   5  -1.106   4.677   4.677
   48   2H5*    G   5          2H5*        G   5  -0.882   3.910   3.910
   49    H4*    G   5           H4*        G   5   1.215   3.796   3.796
   50    H3*    G   5           H3*        G   5  -0.160   1.399   1.399
   51   1H2*    G   5          1H2*        G   5  -0.490   0.667   0.667
   52   2H2*    G   5          2H2*        G   5   1.188   0.120   0.120
   53    H1*    G   5           H1*        G   5   2.035   2.052   2.052
   54    H8     G   5           H8         G   5  -1.730   1.798   1.798
   55    H1     G   5           H1         G   5   1.834   1.407   1.407
   56   1H2     G   5          1H2         G   5   4.063   1.472   1.472
   57   2H2     G   5          2H2         G   5   4.500   1.626   1.626
   58   1H5*    C   6          1H5*        C   6   4.435   1.265   1.265
   59   2H5*    C   6          2H5*        C   6   5.249   0.074   0.074
   60    H4*    C   6           H4*        C   6   6.086  -0.017  -0.017
   61    H3*    C   6           H3*        C   6   5.047  -2.311  -2.311
   62   1H2*    C   6          1H2*        C   6   3.630  -3.017  -3.017
   63   2H2*    C   6          2H2*        C   6   5.033  -3.525  -3.525
   64    H1*    C   6           H1*        C   6   5.183  -1.510  -1.510
   65   1H4     C   6          1H4         C   6  -0.654  -1.892  -1.892
   66   2H4     C   6          2H4         C   6  -1.437  -1.592  -1.592
   67    H5     C   6           H5         C   6  -0.247  -1.680  -1.680
   68    H6     C   6           H6         C   6   1.981  -1.527  -1.527
   69   1H5*    C   7          1H5*        C   7   7.341  -2.624  -2.624
   70   2H5*    C   7          2H5*        C   7   8.837  -3.485  -3.485
   71    H4*    C   7           H4*        C   7   8.085  -4.056  -4.056
   72    H3*    C   7           H3*        C   7   8.001  -6.237  -6.237
   73   1H2*    C   7          1H2*        C   7   5.912  -6.855  -6.855
   74   2H2*    C   7          2H2*        C   7   6.468  -7.473  -7.473
   75    H1*    C   7           H1*        C   7   6.009  -5.583  -5.583
   76   1H4     C   7          1H4         C   7  -0.375  -4.734  -4.734
   77   2H4     C   7          2H4         C   7  -0.157  -4.816  -4.816
   78    H5     C   7           H5         C   7   1.988  -5.239  -5.239
   79    H6     C   7           H6         C   7   4.372  -5.554  -5.554
   80   1H5*    A   8          1H5*        A   8   7.685  -6.811  -6.811
   81   2H5*    A   8          2H5*        A   8   9.050  -7.667  -7.667
   82    H4*    A   8           H4*        A   8   7.332  -8.367  -8.367
   83    H3*    A   8           H3*        A   8   8.004 -10.445 -10.445
   84   1H2*    A   8          1H2*        A   8   5.951 -10.625 -10.625
   85   2H2*    A   8          2H2*        A   8   5.535 -11.475 -11.475
   86    H1*    A   8           H1*        A   8   4.658  -9.526  -9.526
   87    H8     A   8           H8         A   8   4.857  -9.281  -9.281
   88   1H6     A   8          1H6         A   8  -0.925  -7.300  -7.300
   89   2H6     A   8          2H6         A   8   0.458  -7.869  -7.869
   90    H2     A   8           H2         A   8   0.261  -8.106  -8.106
   91   1H5*    T   9          1H5*        T   9   5.828 -10.983 -10.983
   92   2H5*    T   9          2H5*        T   9   5.942 -12.535 -12.535
   93    H4*    T   9           H4*        T   9   3.674 -11.416 -11.416
   94    H3*    T   9           H3*        T   9   4.245 -14.210 -14.210
   95   1H2*    T   9          1H2*        T   9   2.863 -14.200 -14.200
   96   2H2*    T   9          2H2*        T   9   1.483 -14.069 -14.069
   97    H1*    T   9           H1*        T   9   1.472 -11.705 -11.705
   98    H3     T   9           H3         T   9  -0.605 -11.018 -11.018
   99   1H5M    T   9          1H5M        T   9   3.128 -12.513 -12.513
  100   2H5M    T   9          2H5M        T   9   3.841 -13.626 -13.626
  101   3H5M    T   9          3H5M        T   9   4.378 -11.933 -11.933
  102    H6     T   9           H6         T   9   3.684 -12.745 -12.745
  103   1H5*    G  10          1H5*        G  10  -0.119 -14.381 -14.381
  104   2H5*    G  10          2H5*        G  10  -0.110 -15.989 -15.989
  105    H4*    G  10           H4*        G  10  -1.854 -16.116 -16.116
  106    H3*    G  10           H3*        G  10   0.620 -17.267 -17.267
  107   1H2*    G  10          1H2*        G  10  -0.321 -17.018 -17.018
  108   2H2*    G  10          2H2*        G  10  -1.822 -17.796 -17.796
  109    H1*    G  10           H1*        G  10  -2.823 -15.825 -15.825
  110    H8     G  10           H8         G  10   0.266 -14.985 -14.985
  111    H1     G  10           H1         G  10  -5.308 -12.767 -12.767
  112   1H2     G  10          1H2         G  10  -6.959 -13.134 -13.134
  113   2H2     G  10          2H2         G  10  -6.543 -13.997 -13.997
  114    H3T    G  10           H3T        G  10  -0.767 -19.229 -19.229
  115   1H5*    C  11          1H5*        C  11  -4.410  -6.691  -6.691
  116   2H5*    C  11          2H5*        C  11  -5.664  -6.119  -6.119
  117    H4*    C  11           H4*        C  11  -7.330  -7.541  -7.541
  118    H3*    C  11           H3*        C  11  -6.482  -7.332  -7.332
  119   1H2*    C  11          1H2*        C  11  -4.319  -8.370  -8.370
  120   2H2*    C  11          2H2*        C  11  -5.256  -9.723  -9.723
  121    H1*    C  11           H1*        C  11  -6.028 -10.535 -10.535
  122   1H4     C  11          1H4         C  11  -0.208 -12.902 -12.902
  123   2H4     C  11          2H4         C  11   0.402 -11.374 -11.374
  124    H5     C  11           H5         C  11  -1.005  -9.316  -9.316
  125    H6     C  11           H6         C  11  -3.173  -8.458  -8.458
  126   1H5*    A  12          1H5*        A  12  -9.356 -10.251 -10.251
  127   2H5*    A  12          2H5*        A  12 -10.760  -9.223  -9.223
  128    H4*    A  12           H4*        A  12  -9.853  -9.856  -9.856
  129    H3*    A  12           H3*        A  12  -9.795  -7.072  -7.072
  130   1H2*    A  12          1H2*        A  12  -7.562  -6.922  -6.922
  131   2H2*    A  12          2H2*        A  12  -7.689  -6.752  -6.752
  132    H1*    A  12           H1*        A  12  -7.229  -9.104  -9.104
  133    H8     A  12           H8         A  12  -6.076  -7.826  -7.826
  134   1H6     A  12          1H6         A  12  -0.693 -10.525 -10.525
  135   2H6     A  12          2H6         A  12  -1.741  -9.626  -9.626
  136    H2     A  12           H2         A  12  -3.088 -10.766 -10.766
  137   1H5*    T  13          1H5*        T  13  -9.177  -8.705  -8.705
  138   2H5*    T  13          2H5*        T  13  -9.858  -7.731  -7.731
  139    H4*    T  13           H4*        T  13  -7.671  -8.820  -8.820
  140    H3*    T  13           H3*        T  13  -8.205  -5.958  -5.958
  141   1H2*    T  13          1H2*        T  13  -6.316  -5.326  -5.326
  142   2H2*    T  13          2H2*        T  13  -5.399  -5.910  -5.910
  143    H1*    T  13           H1*        T  13  -5.035  -8.023  -8.023
  144    H3     T  13           H3         T  13  -1.645  -7.319  -7.319
  145   1H5M    T  13          1H5M        T  13  -6.093  -5.229  -5.229
  146   2H5M    T  13          2H5M        T  13  -4.480  -5.010  -5.010
  147   3H5M    T  13          3H5M        T  13  -5.038  -3.923  -3.923
  148    H6     T  13           H6         T  13  -6.228  -5.882  -5.882
  149   1H5*    G  14          1H5*        G  14  -4.730  -7.455  -7.455
  150   2H5*    G  14          2H5*        G  14  -4.945  -6.655  -6.655
  151    H4*    G  14           H4*        G  14  -2.650  -6.424  -6.424
  152    H3*    G  14           H3*        G  14  -4.291  -4.072  -4.072
  153   1H2*    G  14          1H2*        G  14  -3.917  -3.317  -3.317
  154   2H2*    G  14          2H2*        G  14  -2.432  -2.697  -2.697
  155    H1*    G  14           H1*        G  14  -1.208  -4.691  -4.691
  156    H8     G  14           H8         G  14  -4.260  -3.585  -3.585
  157    H1     G  14           H1         G  14   0.967  -4.760  -4.760
  158   1H2     G  14          1H2         G  14   2.683  -5.358  -5.358
  159   2H2     G  14          2H2         G  14   2.400  -5.510  -5.510
  160   1H5*    G  15          1H5*        G  15   0.262  -4.591  -4.591
  161   2H5*    G  15          2H5*        G  15   0.855  -3.829  -3.829
  162    H4*    G  15           H4*        G  15   2.658  -3.889  -3.889
  163    H3*    G  15           H3*        G  15   1.701  -1.382  -1.382
  164   1H2*    G  15          1H2*        G  15   0.987  -0.612  -0.612
  165   2H2*    G  15          2H2*        G  15   2.699  -0.226  -0.226
  166    H1*    G  15           H1*        G  15   3.119  -2.191  -2.191
  167    H8     G  15           H8         G  15  -0.669  -1.657  -1.657
  168    H1     G  15           H1         G  15   1.667  -1.587  -1.587
  169   1H2     G  15          1H2         G  15   3.959  -1.824  -1.824
  170   2H2     G  15          2H2         G  15   4.751  -1.972  -1.972
  171   1H5*    C  16          1H5*        C  16   5.929  -1.633  -1.633
  172   2H5*    C  16          2H5*        C  16   7.033  -0.498  -0.498
  173    H4*    C  16           H4*        C  16   7.318  -0.512  -0.512
  174    H3*    C  16           H3*        C  16   6.854   1.876   1.876
  175   1H2*    C  16          1H2*        C  16   5.167   2.697   2.697
  176   2H2*    C  16          2H2*        C  16   6.365   3.058   3.058
  177    H1*    C  16           H1*        C  16   6.072   1.025   1.025
  178   1H4     C  16          1H4         C  16  -0.198   1.901   1.901
  179   2H4     C  16          2H4         C  16  -0.649   1.725   1.725
  180    H5     C  16           H5         C  16   0.983   1.734   1.734
  181    H6     C  16           H6         C  16   3.354   1.399   1.399
  182   1H5*    C  17          1H5*        C  17   8.286   1.982   1.982
  183   2H5*    C  17          2H5*        C  17   9.853   2.724   2.724
  184    H4*    C  17           H4*        C  17   8.682   3.355   3.355
  185    H3*    C  17           H3*        C  17   9.188   5.539   5.539
  186   1H2*    C  17          1H2*        C  17   7.096   6.289   6.289
  187   2H2*    C  17          2H2*        C  17   7.332   6.874   6.874
  188    H1*    C  17           H1*        C  17   6.509   5.028   5.028
  189   1H4     C  17          1H4         C  17   0.432   4.716   4.716
  190   2H4     C  17          2H4         C  17   1.028   4.785   4.785
  191    H5     C  17           H5         C  17   3.388   4.993   4.993
  192    H6     C  17           H6         C  17   5.634   5.118   5.118
  193   1H5*    A  18          1H5*        A  18   7.862   6.176   6.176
  194   2H5*    A  18          2H5*        A  18   9.176   6.833   6.833
  195    H4*    A  18           H4*        A  18   7.331   7.757   7.757
  196    H3*    A  18           H3*        A  18   8.600   9.744   9.744
  197   1H2*    A  18          1H2*        A  18   6.785  10.126  10.126
  198   2H2*    A  18          2H2*        A  18   6.151  11.035  11.035
  199    H1*    A  18           H1*        A  18   4.851   9.223   9.223
  200    H8     A  18           H8         A  18   5.931   8.834   8.834
  201   1H6     A  18          1H6         A  18   0.172   7.326   7.326
  202   2H6     A  18          2H6         A  18   1.784   7.744   7.744
  203    H2     A  18           H2         A  18   0.359   8.177   8.177
  204   1H5*    T  19          1H5*        T  19   5.569  10.547  10.547
  205   2H5*    T  19          2H5*        T  19   5.655  12.070  12.070
  206    H4*    T  19           H4*        T  19   3.368  11.294  11.294
  207    H3*    T  19           H3*        T  19   4.439  13.962  13.962
  208   1H2*    T  19          1H2*        T  19   3.505  14.047  14.047
  209   2H2*    T  19          2H2*        T  19   1.900  14.103  14.103
  210    H1*    T  19           H1*        T  19   1.633  11.763  11.763
  211    H3     T  19           H3         T  19   0.502  11.042  11.042
  212   1H5M    T  19          1H5M        T  19   5.595  12.932  12.932
  213   2H5M    T  19          2H5M        T  19   5.515  11.279  11.279
  214   3H5M    T  19          3H5M        T  19   4.746  12.605  12.605
  215    H6     T  19           H6         T  19   4.519  12.459  12.459
  216   1H5*    G  20          1H5*        G  20  -0.243  14.616  14.616
  217   2H5*    G  20          2H5*        G  20  -0.255  16.264  16.264
  218    H4*    G  20           H4*        G  20  -1.628  16.398  16.398
  219    H3*    G  20           H3*        G  20   1.150  17.358  17.358
  220   1H2*    G  20          1H2*        G  20   0.677  17.094  17.094
  221   2H2*    G  20          2H2*        G  20  -0.856  17.964  17.964
  222    H1*    G  20           H1*        G  20  -2.097  16.075  16.075
  223    H8     G  20           H8         G  20   1.343  15.004  15.004
  224    H1     G  20           H1         G  20  -3.711  13.044  13.044
  225   1H2     G  20          1H2         G  20  -5.650  13.514  13.514
  226   2H2     G  20          2H2         G  20  -5.519  14.385  14.385

  Start of MODEL    5
    1   1H5*    C   1          1H5*        C   1  -3.461   9.666   9.666
    2   2H5*    C   1          2H5*        C   1  -4.465  10.412  10.412
    3    H4*    C   1           H4*        C   1  -6.410  10.463  10.463
    4    H3*    C   1           H3*        C   1  -5.863   8.064   8.064
    5   1H2*    C   1          1H2*        C   1  -3.981   8.955   8.955
    6   2H2*    C   1          2H2*        C   1  -5.339   9.096   9.096
    7    H1*    C   1           H1*        C   1  -5.787  11.402  11.402
    8   1H4     C   1          1H4         C   1  -0.174  12.786  12.786
    9   2H4     C   1          2H4         C   1   0.704  12.538  12.538
   10    H5     C   1           H5         C   1  -0.392  11.721  11.721
   11    H6     C   1           H6         C   1  -2.497  11.066  11.066
   12    H5T    C   1           H5T        C   1  -4.202   8.035   8.035
   13   1H5*    A   2          1H5*        A   2  -7.893  10.515  10.515
   14   2H5*    A   2          2H5*        A   2  -9.280   9.485   9.485
   15    H4*    A   2           H4*        A   2  -8.344  10.162  10.162
   16    H3*    A   2           H3*        A   2  -8.270   7.344   7.344
   17   1H2*    A   2          1H2*        A   2  -6.050   7.182   7.182
   18   2H2*    A   2          2H2*        A   2  -6.485   7.133   7.133
   19    H1*    A   2           H1*        A   2  -6.071   9.493   9.493
   20    H8     A   2           H8         A   2  -4.265   7.902   7.902
   21   1H6     A   2          1H6         A   2   0.865  10.669  10.669
   22   2H6     A   2          2H6         A   2   0.051   9.774   9.774
   23    H2     A   2           H2         A   2  -2.246  11.114  11.114
   24   1H5*    T   3          1H5*        T   3  -8.279   9.279   9.279
   25   2H5*    T   3          2H5*        T   3  -9.260   8.460   8.460
   26    H4*    T   3           H4*        T   3  -7.176   9.466   9.466
   27    H3*    T   3           H3*        T   3  -7.919   6.638   6.638
   28   1H2*    T   3          1H2*        T   3  -5.900   5.867   5.867
   29   2H2*    T   3          2H2*        T   3  -5.259   6.478   6.478
   30    H1*    T   3           H1*        T   3  -4.601   8.513   8.513
   31    H3     T   3           H3         T   3  -0.745   7.602   7.602
   32   1H5M    T   3          1H5M        T   3  -4.838   5.214   5.214
   33   2H5M    T   3          2H5M        T   3  -3.327   5.683   5.683
   34   3H5M    T   3          3H5M        T   3  -3.336   4.301   4.301
   35    H6     T   3           H6         T   3  -5.324   6.303   6.303
   36   1H5*    G   4          1H5*        G   4  -5.075   7.991   7.991
   37   2H5*    G   4          2H5*        G   4  -5.726   7.191   7.191
   38    H4*    G   4           H4*        G   4  -3.351   6.817   6.817
   39    H3*    G   4           H3*        G   4  -5.191   4.592   4.592
   40   1H2*    G   4          1H2*        G   4  -4.427   3.786   3.786
   41   2H2*    G   4          2H2*        G   4  -3.178   3.063   3.063
   42    H1*    G   4           H1*        G   4  -1.677   4.954   4.954
   43    H8     G   4           H8         G   4  -4.269   4.052   4.052
   44    H1     G   4           H1         G   4   1.660   4.847   4.847
   45   1H2     G   4          1H2         G   4   3.083   5.331   5.331
   46   2H2     G   4          2H2         G   4   2.449   5.497   5.497
   47   1H5*    G   5          1H5*        G   5  -0.723   4.734   4.734
   48   2H5*    G   5          2H5*        G   5  -0.518   3.926   3.926
   49    H4*    G   5           H4*        G   5   1.572   3.797   3.797
   50    H3*    G   5           H3*        G   5   0.180   1.391   1.391
   51   1H2*    G   5          1H2*        G   5  -0.154   0.718   0.718
   52   2H2*    G   5          2H2*        G   5   1.518   0.162   0.162
   53    H1*    G   5           H1*        G   5   2.382   2.115   2.115
   54    H8     G   5           H8         G   5  -1.382   1.887   1.887
   55    H1     G   5           H1         G   5   2.146   1.551   1.551
   56   1H2     G   5          1H2         G   5   4.378   1.620   1.620
   57   2H2     G   5          2H2         G   5   4.827   1.759   1.759
   58   1H5*    C   6          1H5*        C   6   4.766   1.284   1.284
   59   2H5*    C   6          2H5*        C   6   5.584   0.052   0.052
   60    H4*    C   6           H4*        C   6   6.417   0.095   0.095
   61    H3*    C   6           H3*        C   6   5.442  -2.268  -2.268
   62   1H2*    C   6          1H2*        C   6   4.009  -2.937  -2.937
   63   2H2*    C   6          2H2*        C   6   5.411  -3.391  -3.391
   64    H1*    C   6           H1*        C   6   5.520  -1.347  -1.347
   65   1H4     C   6          1H4         C   6  -0.316  -1.745  -1.745
   66   2H4     C   6          2H4         C   6  -1.107  -1.515  -1.515
   67    H5     C   6           H5         C   6   0.097  -1.602  -1.602
   68    H6     C   6           H6         C   6   2.328  -1.454  -1.454
   69   1H5*    C   7          1H5*        C   7   7.697  -2.443  -2.443
   70   2H5*    C   7          2H5*        C   7   9.199  -3.313  -3.313
   71    H4*    C   7           H4*        C   7   8.371  -3.827  -3.827
   72    H3*    C   7           H3*        C   7   8.394  -6.040  -6.040
   73   1H2*    C   7          1H2*        C   7   6.281  -6.658  -6.658
   74   2H2*    C   7          2H2*        C   7   6.770  -7.274  -7.274
   75    H1*    C   7           H1*        C   7   6.283  -5.374  -5.374
   76   1H4     C   7          1H4         C   7  -0.067  -4.606  -4.606
   77   2H4     C   7          2H4         C   7   0.165  -4.700  -4.700
   78    H5     C   7           H5         C   7   2.344  -5.116  -5.116
   79    H6     C   7           H6         C   7   4.726  -5.402  -5.402
   80   1H5*    A   8          1H5*        A   8   7.782  -6.733  -6.733
   81   2H5*    A   8          2H5*        A   8   9.138  -7.582  -7.582
   82    H4*    A   8           H4*        A   8   7.391  -8.439  -8.439
   83    H3*    A   8           H3*        A   8   8.169 -10.361 -10.361
   84   1H2*    A   8          1H2*        A   8   6.154 -10.462 -10.462
   85   2H2*    A   8          2H2*        A   8   5.667 -11.453 -11.453
   86    H1*    A   8           H1*        A   8   4.732  -9.612  -9.612
   87    H8     A   8           H8         A   8   5.101  -9.023  -9.023
   88   1H6     A   8          1H6         A   8  -0.767  -7.229  -7.229
   89   2H6     A   8          2H6         A   8   0.650  -7.706  -7.706
   90    H2     A   8           H2         A   8   0.336  -8.218  -8.218
   91   1H5*    T   9          1H5*        T   9   5.743 -11.268 -11.268
   92   2H5*    T   9          2H5*        T   9   5.873 -12.882 -12.882
   93    H4*    T   9           H4*        T   9   3.582 -11.908 -11.908
   94    H3*    T   9           H3*        T   9   4.321 -14.557 -14.557
   95   1H2*    T   9          1H2*        T   9   3.001 -14.334 -14.334
   96   2H2*    T   9          2H2*        T   9   1.582 -14.393 -14.393
   97    H1*    T   9           H1*        T   9   1.477 -12.073 -12.073
   98    H3     T   9           H3         T   9  -0.535 -10.780 -10.780
   99   1H5M    T   9          1H5M        T   9   3.610 -11.190 -11.190
  100   2H5M    T   9          2H5M        T   9   3.572 -12.953 -12.953
  101   3H5M    T   9          3H5M        T   9   4.660 -11.957 -11.957
  102    H6     T   9           H6         T   9   3.772 -12.614 -12.614
  103   1H5*    G  10          1H5*        G  10  -0.210 -14.724 -14.724
  104   2H5*    G  10          2H5*        G  10  -0.353 -16.423 -16.423
  105    H4*    G  10           H4*        G  10  -2.212 -15.860 -15.860
  106    H3*    G  10           H3*        G  10  -0.175 -17.763 -17.763
  107   1H2*    G  10          1H2*        G  10  -0.718 -17.221 -17.221
  108   2H2*    G  10          2H2*        G  10  -2.420 -17.581 -17.581
  109    H1*    G  10           H1*        G  10  -2.964 -15.378 -15.378
  110    H8     G  10           H8         G  10   0.553 -15.413 -15.413
  111    H1     G  10           H1         G  10  -3.822 -12.557 -12.557
  112   1H2     G  10          1H2         G  10  -5.831 -12.547 -12.547
  113   2H2     G  10          2H2         G  10  -6.021 -13.249 -13.249
  114    H3T    G  10           H3T        G  10  -2.169 -19.129 -19.129
  115   1H5*    C  11          1H5*        C  11  -6.871 -10.145 -10.145
  116   2H5*    C  11          2H5*        C  11  -8.275 -10.861 -10.861
  117    H4*    C  11           H4*        C  11  -9.781 -10.339 -10.339
  118    H3*    C  11           H3*        C  11  -8.451  -8.054  -8.054
  119   1H2*    C  11          1H2*        C  11  -6.509  -9.201  -9.201
  120   2H2*    C  11          2H2*        C  11  -7.562  -9.060  -9.060
  121    H1*    C  11           H1*        C  11  -8.361 -11.273 -11.273
  122   1H4     C  11          1H4         C  11  -2.317 -13.520 -13.520
  123   2H4     C  11          2H4         C  11  -2.186 -13.691 -13.691
  124    H5     C  11           H5         C  11  -3.828 -12.724 -12.724
  125    H6     C  11           H6         C  11  -5.952 -11.618 -11.618
  126   1H5*    A  12          1H5*        A  12 -10.041  -9.875  -9.875
  127   2H5*    A  12          2H5*        A  12 -11.163  -8.651  -8.651
  128    H4*    A  12           H4*        A  12  -9.876  -9.500  -9.500
  129    H3*    A  12           H3*        A  12  -9.810  -6.702  -6.702
  130   1H2*    A  12          1H2*        A  12  -7.592  -6.635  -6.635
  131   2H2*    A  12          2H2*        A  12  -7.563  -6.553  -6.553
  132    H1*    A  12           H1*        A  12  -7.185  -8.926  -8.926
  133    H8     A  12           H8         A  12  -6.187  -7.468  -7.468
  134   1H6     A  12          1H6         A  12  -0.754 -10.234 -10.234
  135   2H6     A  12          2H6         A  12  -1.830  -9.268  -9.268
  136    H2     A  12           H2         A  12  -2.999 -10.714 -10.714
  137   1H5*    T  13          1H5*        T  13  -8.955  -8.556  -8.556
  138   2H5*    T  13          2H5*        T  13  -9.568  -7.678  -7.678
  139    H4*    T  13           H4*        T  13  -7.380  -8.791  -8.791
  140    H3*    T  13           H3*        T  13  -7.877  -5.918  -5.918
  141   1H2*    T  13          1H2*        T  13  -6.023  -5.279  -5.279
  142   2H2*    T  13          2H2*        T  13  -5.070  -5.917  -5.917
  143    H1*    T  13           H1*        T  13  -4.762  -8.006  -8.006
  144    H3     T  13           H3         T  13  -1.470  -7.284  -7.284
  145   1H5M    T  13          1H5M        T  13  -5.979  -4.748  -4.748
  146   2H5M    T  13          2H5M        T  13  -4.747  -5.337  -5.337
  147   3H5M    T  13          3H5M        T  13  -4.410  -3.917  -3.917
  148    H6     T  13           H6         T  13  -6.008  -5.777  -5.777
  149   1H5*    G  14          1H5*        G  14  -4.384  -7.511  -7.511
  150   2H5*    G  14          2H5*        G  14  -4.565  -6.800  -6.800
  151    H4*    G  14           H4*        G  14  -2.298  -6.521  -6.521
  152    H3*    G  14           H3*        G  14  -3.922  -4.164  -4.164
  153   1H2*    G  14          1H2*        G  14  -3.572  -3.376  -3.376
  154   2H2*    G  14          2H2*        G  14  -2.077  -2.763  -2.763
  155    H1*    G  14           H1*        G  14  -0.858  -4.738  -4.738
  156    H8     G  14           H8         G  14  -3.919  -3.594  -3.594
  157    H1     G  14           H1         G  14   1.309  -4.744  -4.744
  158   1H2     G  14          1H2         G  14   3.032  -5.354  -5.354
  159   2H2     G  14          2H2         G  14   2.735  -5.531  -5.531
  160   1H5*    G  15          1H5*        G  15   0.664  -4.587  -4.587
  161   2H5*    G  15          2H5*        G  15   1.272  -3.836  -3.836
  162    H4*    G  15           H4*        G  15   3.038  -3.804  -3.804
  163    H3*    G  15           H3*        G  15   1.983  -1.317  -1.317
  164   1H2*    G  15          1H2*        G  15   1.260  -0.588  -0.588
  165   2H2*    G  15          2H2*        G  15   2.955  -0.167  -0.167
  166    H1*    G  15           H1*        G  15   3.432  -2.154  -2.154
  167    H8     G  15           H8         G  15  -0.363  -1.694  -1.694
  168    H1     G  15           H1         G  15   1.980  -1.483  -1.483
  169   1H2     G  15          1H2         G  15   4.280  -1.696  -1.696
  170   2H2     G  15          2H2         G  15   5.058  -1.890  -1.890
  171   1H5*    C  16          1H5*        C  16   6.087  -1.592  -1.592
  172   2H5*    C  16          2H5*        C  16   7.248  -0.501  -0.501
  173    H4*    C  16           H4*        C  16   7.535  -0.543  -0.543
  174    H3*    C  16           H3*        C  16   7.141   1.877   1.877
  175   1H2*    C  16          1H2*        C  16   5.456   2.716   2.716
  176   2H2*    C  16          2H2*        C  16   6.665   3.065   3.065
  177    H1*    C  16           H1*        C  16   6.331   1.040   1.040
  178   1H4     C  16          1H4         C  16   0.100   2.010   2.010
  179   2H4     C  16          2H4         C  16  -0.377   1.812   1.812
  180    H5     C  16           H5         C  16   1.246   1.747   1.747
  181    H6     C  16           H6         C  16   3.614   1.423   1.423
  182   1H5*    C  17          1H5*        C  17   8.530   2.003   2.003
  183   2H5*    C  17          2H5*        C  17  10.122   2.699   2.699
  184    H4*    C  17           H4*        C  17   8.976   3.442   3.442
  185    H3*    C  17           H3*        C  17   9.516   5.539   5.539
  186   1H2*    C  17          1H2*        C  17   7.441   6.334   6.334
  187   2H2*    C  17          2H2*        C  17   7.702   6.970   6.970
  188    H1*    C  17           H1*        C  17   6.839   5.171   5.171
  189   1H4     C  17          1H4         C  17   0.757   4.894   4.894
  190   2H4     C  17          2H4         C  17   1.350   4.883   4.883
  191    H5     C  17           H5         C  17   3.709   5.022   5.022
  192    H6     C  17           H6         C  17   5.960   5.143   5.143
  193   1H5*    A  18          1H5*        A  18   8.305   6.231   6.231
  194   2H5*    A  18          2H5*        A  18   9.524   7.000   7.000
  195    H4*    A  18           H4*        A  18   7.543   7.788   7.788
  196    H3*    A  18           H3*        A  18   8.825   9.861   9.861
  197   1H2*    A  18          1H2*        A  18   7.068  10.158  10.158
  198   2H2*    A  18          2H2*        A  18   6.347  11.054  11.054
  199    H1*    A  18           H1*        A  18   5.109   9.146   9.146
  200    H8     A  18           H8         A  18   6.248   8.901   8.901
  201   1H6     A  18          1H6         A  18   0.421   7.540   7.540
  202   2H6     A  18          2H6         A  18   2.018   7.984   7.984
  203    H2     A  18           H2         A  18   0.654   8.190   8.190
  204   1H5*    T  19          1H5*        T  19   5.606  10.336  10.336
  205   2H5*    T  19          2H5*        T  19   5.649  11.767  11.767
  206    H4*    T  19           H4*        T  19   3.384  11.112  11.112
  207    H3*    T  19           H3*        T  19   4.548  13.768  13.768
  208   1H2*    T  19          1H2*        T  19   3.640  13.921  13.921
  209   2H2*    T  19          2H2*        T  19   2.027  14.014  14.014
  210    H1*    T  19           H1*        T  19   1.684  11.700  11.700
  211    H3     T  19           H3         T  19   0.534  11.092  11.092
  212   1H5M    T  19          1H5M        T  19   5.900  11.877  11.877
  213   2H5M    T  19          2H5M        T  19   5.105  11.306  11.306
  214   3H5M    T  19          3H5M        T  19   5.121  13.040  13.040
  215    H6     T  19           H6         T  19   4.594  12.328  12.328
  216   1H5*    G  20          1H5*        G  20  -0.149  14.404  14.404
  217   2H5*    G  20          2H5*        G  20  -0.176  16.061  16.061
  218    H4*    G  20           H4*        G  20  -1.734  15.892  15.892
  219    H3*    G  20           H3*        G  20   0.746  17.522  17.522
  220   1H2*    G  20          1H2*        G  20   0.529  17.261  17.261
  221   2H2*    G  20          2H2*        G  20  -1.145  17.825  17.825
  222    H1*    G  20           H1*        G  20  -2.049  15.689  15.689
  223    H8     G  20           H8         G  20   1.660  15.349  15.349
  224    H1     G  20           H1         G  20  -2.432  13.170  13.170
  225   1H2     G  20          1H2         G  20  -4.586  13.263  13.263
  226   2H2     G  20          2H2         G  20  -4.849  13.936  13.936

  Start of MODEL    6
    1   1H5*    C   1          1H5*        C   1  -3.156   9.823   9.823
    2   2H5*    C   1          2H5*        C   1  -4.116  10.500  10.500
    3    H4*    C   1           H4*        C   1  -6.132  10.504  10.504
    4    H3*    C   1           H3*        C   1  -5.580   8.162   8.162
    5   1H2*    C   1          1H2*        C   1  -3.766   9.140   9.140
    6   2H2*    C   1          2H2*        C   1  -5.171   9.257   9.257
    7    H1*    C   1           H1*        C   1  -5.702  11.507  11.507
    8   1H4     C   1          1H4         C   1  -0.336  13.192  13.192
    9   2H4     C   1          2H4         C   1   0.635  13.014  13.014
   10    H5     C   1           H5         C   1  -0.310  12.115  12.115
   11    H6     C   1           H6         C   1  -2.324  11.311  11.311
   12    H5T    C   1           H5T        C   1  -3.744   8.129   8.129
   13   1H5*    A   2          1H5*        A   2  -7.696  10.644  10.644
   14   2H5*    A   2          2H5*        A   2  -9.129   9.648   9.648
   15    H4*    A   2           H4*        A   2  -8.281  10.275  10.275
   16    H3*    A   2           H3*        A   2  -8.269   7.480   7.480
   17   1H2*    A   2          1H2*        A   2  -6.114   7.157   7.157
   18   2H2*    A   2          2H2*        A   2  -6.572   7.134   7.134
   19    H1*    A   2           H1*        A   2  -6.090   9.454   9.454
   20    H8     A   2           H8         A   2  -4.234   7.940   7.940
   21   1H6     A   2          1H6         A   2   0.895  10.533  10.533
   22   2H6     A   2          2H6         A   2   0.112   9.669   9.669
   23    H2     A   2           H2         A   2  -2.318  11.003  11.003
   24   1H5*    T   3          1H5*        T   3  -8.402   9.255   9.255
   25   2H5*    T   3          2H5*        T   3  -9.433   8.397   8.397
   26    H4*    T   3           H4*        T   3  -7.349   9.343   9.343
   27    H3*    T   3           H3*        T   3  -8.154   6.520   6.520
   28   1H2*    T   3          1H2*        T   3  -6.126   5.733   5.733
   29   2H2*    T   3          2H2*        T   3  -5.521   6.279   6.279
   30    H1*    T   3           H1*        T   3  -4.806   8.338   8.338
   31    H3     T   3           H3         T   3  -0.895   7.437   7.437
   32   1H5M    T   3          1H5M        T   3  -3.538   5.726   5.726
   33   2H5M    T   3          2H5M        T   3  -3.341   4.288   4.288
   34   3H5M    T   3          3H5M        T   3  -4.939   5.059   5.059
   35    H6     T   3           H6         T   3  -5.478   6.226   6.226
   36   1H5*    G   4          1H5*        G   4  -5.373   7.790   7.790
   37   2H5*    G   4          2H5*        G   4  -6.006   7.024   7.024
   38    H4*    G   4           H4*        G   4  -3.638   6.641   6.641
   39    H3*    G   4           H3*        G   4  -5.480   4.412   4.412
   40   1H2*    G   4          1H2*        G   4  -4.688   3.595   3.595
   41   2H2*    G   4          2H2*        G   4  -3.447   2.885   2.885
   42    H1*    G   4           H1*        G   4  -1.958   4.788   4.788
   43    H8     G   4           H8         G   4  -4.501   3.855   3.855
   44    H1     G   4           H1         G   4   1.489   4.644   4.644
   45   1H2     G   4          1H2         G   4   2.863   5.106   5.106
   46   2H2     G   4          2H2         G   4   2.176   5.293   5.293
   47   1H5*    G   5          1H5*        G   5  -1.044   4.608   4.608
   48   2H5*    G   5          2H5*        G   5  -0.852   3.847   3.847
   49    H4*    G   5           H4*        G   5   1.256   3.699   3.699
   50    H3*    G   5           H3*        G   5  -0.139   1.294   1.294
   51   1H2*    G   5          1H2*        G   5  -0.422   0.586   0.586
   52   2H2*    G   5          2H2*        G   5   1.252   0.039   0.039
   53    H1*    G   5           H1*        G   5   2.122   1.985   1.985
   54    H8     G   5           H8         G   5  -1.628   1.729   1.729
   55    H1     G   5           H1         G   5   2.045   1.376   1.376
   56   1H2     G   5          1H2         G   5   4.259   1.419   1.419
   57   2H2     G   5          2H2         G   5   4.665   1.561   1.561
   58   1H5*    C   6          1H5*        C   6   4.480   1.163   1.163
   59   2H5*    C   6          2H5*        C   6   5.279  -0.058  -0.058
   60    H4*    C   6           H4*        C   6   6.143  -0.053  -0.053
   61    H3*    C   6           H3*        C   6   5.137  -2.401  -2.401
   62   1H2*    C   6          1H2*        C   6   3.734  -3.079  -3.079
   63   2H2*    C   6          2H2*        C   6   5.154  -3.552  -3.552
   64    H1*    C   6           H1*        C   6   5.300  -1.521  -1.521
   65   1H4     C   6          1H4         C   6  -0.470  -1.923  -1.923
   66   2H4     C   6          2H4         C   6  -1.299  -1.660  -1.660
   67    H5     C   6           H5         C   6  -0.146  -1.736  -1.736
   68    H6     C   6           H6         C   6   2.066  -1.588  -1.588
   69   1H5*    C   7          1H5*        C   7   7.461  -2.695  -2.695
   70   2H5*    C   7          2H5*        C   7   8.954  -3.558  -3.558
   71    H4*    C   7           H4*        C   7   8.203  -4.186  -4.186
   72    H3*    C   7           H3*        C   7   8.068  -6.321  -6.321
   73   1H2*    C   7          1H2*        C   7   5.958  -6.889  -6.889
   74   2H2*    C   7          2H2*        C   7   6.491  -7.564  -7.564
   75    H1*    C   7           H1*        C   7   6.095  -5.700  -5.700
   76   1H4     C   7          1H4         C   7  -0.282  -4.773  -4.773
   77   2H4     C   7          2H4         C   7  -0.081  -4.805  -4.805
   78    H5     C   7           H5         C   7   2.064  -5.209  -5.209
   79    H6     C   7           H6         C   7   4.442  -5.560  -5.560
   80   1H5*    A   8          1H5*        A   8   7.701  -7.012  -7.012
   81   2H5*    A   8          2H5*        A   8   9.071  -7.914  -7.914
   82    H4*    A   8           H4*        A   8   7.349  -8.609  -8.609
   83    H3*    A   8           H3*        A   8   8.012 -10.676 -10.676
   84   1H2*    A   8          1H2*        A   8   5.983 -10.766 -10.766
   85   2H2*    A   8          2H2*        A   8   5.518 -11.686 -11.686
   86    H1*    A   8           H1*        A   8   4.639  -9.763  -9.763
   87    H8     A   8           H8         A   8   4.918  -9.378  -9.378
   88   1H6     A   8          1H6         A   8  -0.848  -7.297  -7.297
   89   2H6     A   8          2H6         A   8   0.522  -7.868  -7.868
   90    H2     A   8           H2         A   8   0.288  -8.261  -8.261
   91   1H5*    T   9          1H5*        T   9   5.692 -11.268 -11.268
   92   2H5*    T   9          2H5*        T   9   5.817 -12.820 -12.820
   93    H4*    T   9           H4*        T   9   3.540 -11.833 -11.833
   94    H3*    T   9           H3*        T   9   4.202 -14.550 -14.550
   95   1H2*    T   9          1H2*        T   9   2.809 -14.442 -14.442
   96   2H2*    T   9          2H2*        T   9   1.427 -14.400 -14.400
   97    H1*    T   9           H1*        T   9   1.392 -12.039 -12.039
   98    H3     T   9           H3         T   9  -0.656 -10.980 -10.980
   99   1H5M    T   9          1H5M        T   9   3.424 -13.499 -13.499
  100   2H5M    T   9          2H5M        T   9   4.465 -12.259 -12.259
  101   3H5M    T   9          3H5M        T   9   3.326 -11.811 -11.811
  102    H6     T   9           H6         T   9   3.607 -12.868 -12.868
  103   1H5*    G  10          1H5*        G  10  -0.191 -14.632 -14.632
  104   2H5*    G  10          2H5*        G  10  -0.305 -16.309 -16.309
  105    H4*    G  10           H4*        G  10  -2.158 -15.940 -15.940
  106    H3*    G  10           H3*        G  10   0.022 -17.585 -17.585
  107   1H2*    G  10          1H2*        G  10  -0.804 -17.140 -17.140
  108   2H2*    G  10          2H2*        G  10  -2.441 -17.605 -17.605
  109    H1*    G  10           H1*        G  10  -3.045 -15.472 -15.472
  110    H8     G  10           H8         G  10   0.204 -15.246 -15.246
  111    H1     G  10           H1         G  10  -4.914 -12.419 -12.419
  112   1H2     G  10          1H2         G  10  -6.617 -12.341 -12.341
  113   2H2     G  10          2H2         G  10  -6.383 -13.156 -13.156
  114    H3T    G  10           H3T        G  10  -1.753 -19.207 -19.207
  115   1H5*    C  11          1H5*        C  11  -4.576  -6.210  -6.210
  116   2H5*    C  11          2H5*        C  11  -5.869  -5.561  -5.561
  117    H4*    C  11           H4*        C  11  -7.515  -7.005  -7.005
  118    H3*    C  11           H3*        C  11  -6.560  -6.928  -6.928
  119   1H2*    C  11          1H2*        C  11  -4.454  -8.008  -8.008
  120   2H2*    C  11          2H2*        C  11  -5.408  -9.372  -9.372
  121    H1*    C  11           H1*        C  11  -6.273 -10.043 -10.043
  122   1H4     C  11          1H4         C  11  -0.538 -12.512 -12.512
  123   2H4     C  11          2H4         C  11   0.113 -10.972 -10.972
  124    H5     C  11           H5         C  11  -1.246  -8.884  -8.884
  125    H6     C  11           H6         C  11  -3.382  -7.998  -7.998
  126   1H5*    A  12          1H5*        A  12  -9.540  -9.790  -9.790
  127   2H5*    A  12          2H5*        A  12 -10.879  -8.700  -8.700
  128    H4*    A  12           H4*        A  12  -9.956  -9.440  -9.440
  129    H3*    A  12           H3*        A  12  -9.754  -6.643  -6.643
  130   1H2*    A  12          1H2*        A  12  -7.522  -6.626  -6.626
  131   2H2*    A  12          2H2*        A  12  -7.598  -6.502  -6.502
  132    H1*    A  12           H1*        A  12  -7.231  -8.878  -8.878
  133    H8     A  12           H8         A  12  -6.164  -7.572  -7.572
  134   1H6     A  12          1H6         A  12  -0.818 -10.431 -10.431
  135   2H6     A  12          2H6         A  12  -1.873  -9.479  -9.479
  136    H2     A  12           H2         A  12  -3.090 -10.704 -10.704
  137   1H5*    T  13          1H5*        T  13  -9.088  -8.427  -8.427
  138   2H5*    T  13          2H5*        T  13  -9.679  -7.456  -7.456
  139    H4*    T  13           H4*        T  13  -7.532  -8.655  -8.655
  140    H3*    T  13           H3*        T  13  -7.935  -5.779  -5.779
  141   1H2*    T  13          1H2*        T  13  -6.051  -5.204  -5.204
  142   2H2*    T  13          2H2*        T  13  -5.126  -5.871  -5.871
  143    H1*    T  13           H1*        T  13  -4.876  -7.968  -7.968
  144    H3     T  13           H3         T  13  -1.542  -7.325  -7.325
  145   1H5M    T  13          1H5M        T  13  -5.990  -4.912  -4.912
  146   2H5M    T  13          2H5M        T  13  -4.460  -4.993  -4.993
  147   3H5M    T  13          3H5M        T  13  -4.676  -3.769  -3.769
  148    H6     T  13           H6         T  13  -6.050  -5.713  -5.713
  149   1H5*    G  14          1H5*        G  14  -4.443  -7.458  -7.458
  150   2H5*    G  14          2H5*        G  14  -4.646  -6.663  -6.663
  151    H4*    G  14           H4*        G  14  -2.348  -6.486  -6.486
  152    H3*    G  14           H3*        G  14  -3.923  -4.093  -4.093
  153   1H2*    G  14          1H2*        G  14  -3.562  -3.352  -3.352
  154   2H2*    G  14          2H2*        G  14  -2.060  -2.746  -2.746
  155    H1*    G  14           H1*        G  14  -0.867  -4.751  -4.751
  156    H8     G  14           H8         G  14  -3.917  -3.584  -3.584
  157    H1     G  14           H1         G  14   1.232  -4.897  -4.897
  158   1H2     G  14          1H2         G  14   2.960  -5.542  -5.542
  159   2H2     G  14          2H2         G  14   2.702  -5.681  -5.681
  160   1H5*    G  15          1H5*        G  15   0.655  -4.599  -4.599
  161   2H5*    G  15          2H5*        G  15   1.287  -3.822  -3.822
  162    H4*    G  15           H4*        G  15   3.055  -3.888  -3.888
  163    H3*    G  15           H3*        G  15   2.079  -1.368  -1.368
  164   1H2*    G  15          1H2*        G  15   1.329  -0.659  -0.659
  165   2H2*    G  15          2H2*        G  15   3.027  -0.262  -0.262
  166    H1*    G  15           H1*        G  15   3.449  -2.264  -2.264
  167    H8     G  15           H8         G  15  -0.330  -1.714  -1.714
  168    H1     G  15           H1         G  15   1.886  -1.650  -1.650
  169   1H2     G  15          1H2         G  15   4.179  -1.915  -1.915
  170   2H2     G  15          2H2         G  15   4.993  -2.110  -2.110
  171   1H5*    C  16          1H5*        C  16   6.194  -1.708  -1.708
  172   2H5*    C  16          2H5*        C  16   7.350  -0.584  -0.584
  173    H4*    C  16           H4*        C  16   7.581  -0.671  -0.671
  174    H3*    C  16           H3*        C  16   7.222   1.769   1.769
  175   1H2*    C  16          1H2*        C  16   5.503   2.586   2.586
  176   2H2*    C  16          2H2*        C  16   6.665   2.920   2.920
  177    H1*    C  16           H1*        C  16   6.303   0.868   0.868
  178   1H4     C  16          1H4         C  16   0.041   1.858   1.858
  179   2H4     C  16          2H4         C  16  -0.386   1.673   1.673
  180    H5     C  16           H5         C  16   1.286   1.666   1.666
  181    H6     C  16           H6         C  16   3.666   1.323   1.323
  182   1H5*    C  17          1H5*        C  17   8.491   1.781   1.781
  183   2H5*    C  17          2H5*        C  17  10.057   2.501   2.501
  184    H4*    C  17           H4*        C  17   8.813   3.140   3.140
  185    H3*    C  17           H3*        C  17   9.469   5.310   5.310
  186   1H2*    C  17          1H2*        C  17   7.404   6.118   6.118
  187   2H2*    C  17          2H2*        C  17   7.596   6.710   6.710
  188    H1*    C  17           H1*        C  17   6.676   4.874   4.874
  189   1H4     C  17          1H4         C  17   0.691   4.709   4.709
  190   2H4     C  17          2H4         C  17   1.339   4.743   4.743
  191    H5     C  17           H5         C  17   3.721   4.901   4.901
  192    H6     C  17           H6         C  17   5.937   4.980   4.980
  193   1H5*    A  18          1H5*        A  18   8.055   5.889   5.889
  194   2H5*    A  18          2H5*        A  18   9.251   6.612   6.612
  195    H4*    A  18           H4*        A  18   7.253   7.445   7.445
  196    H3*    A  18           H3*        A  18   8.637   9.454   9.454
  197   1H2*    A  18          1H2*        A  18   6.956   9.886   9.886
  198   2H2*    A  18          2H2*        A  18   6.204  10.756  10.756
  199    H1*    A  18           H1*        A  18   4.899   8.883   8.883
  200    H8     A  18           H8         A  18   6.136   8.643   8.643
  201   1H6     A  18          1H6         A  18   0.336   7.374   7.374
  202   2H6     A  18          2H6         A  18   1.963   7.777   7.777
  203    H2     A  18           H2         A  18   0.448   8.022   8.022
  204   1H5*    T  19          1H5*        T  19   5.441  10.094  10.094
  205   2H5*    T  19          2H5*        T  19   5.491  11.551  11.551
  206    H4*    T  19           H4*        T  19   3.228  10.851  10.851
  207    H3*    T  19           H3*        T  19   4.376  13.526  13.526
  208   1H2*    T  19          1H2*        T  19   3.557  13.702  13.702
  209   2H2*    T  19          2H2*        T  19   1.920  13.817  13.817
  210    H1*    T  19           H1*        T  19   1.570  11.481  11.481
  211    H3     T  19           H3         T  19   0.506  10.954  10.954
  212   1H5M    T  19          1H5M        T  19   5.870  11.676  11.676
  213   2H5M    T  19          2H5M        T  19   5.102  11.158  11.158
  214   3H5M    T  19          3H5M        T  19   5.131  12.880  12.880
  215    H6     T  19           H6         T  19   4.526  12.124  12.124
  216   1H5*    G  20          1H5*        G  20  -0.275  14.324  14.324
  217   2H5*    G  20          2H5*        G  20  -0.244  15.953  15.953
  218    H4*    G  20           H4*        G  20  -1.659  16.033  16.033
  219    H3*    G  20           H3*        G  20   1.041  17.288  17.288
  220   1H2*    G  20          1H2*        G  20   0.758  17.078  17.078
  221   2H2*    G  20          2H2*        G  20  -0.842  17.828  17.828
  222    H1*    G  20           H1*        G  20  -1.979  15.820  15.820
  223    H8     G  20           H8         G  20   1.652  15.062  15.062
  224    H1     G  20           H1         G  20  -2.798  13.177  13.177
  225   1H2     G  20          1H2         G  20  -4.902  13.455  13.455
  226   2H2     G  20          2H2         G  20  -5.033  14.158  14.158

  Start of MODEL    7
    1   1H5*    C   1          1H5*        C   1  -4.101  10.645  10.645
    2   2H5*    C   1          2H5*        C   1  -5.415  11.770  11.770
    3    H4*    C   1           H4*        C   1  -5.507  11.669  11.669
    4    H3*    C   1           H3*        C   1  -5.663   8.752   8.752
    5   1H2*    C   1          1H2*        C   1  -4.096   8.116   8.116
    6   2H2*    C   1          2H2*        C   1  -4.400   9.600   9.600
    7    H1*    C   1           H1*        C   1  -2.410  10.508  10.508
    8   1H4     C   1          1H4         C   1   1.105   6.709   6.709
    9   2H4     C   1          2H4         C   1  -0.249   6.294   6.294
   10    H5     C   1           H5         C   1  -2.526   7.183   7.183
   11    H6     C   1           H6         C   1  -3.813   8.599   8.599
   12    H5T    C   1           H5T        C   1  -6.121   9.755   9.755
   13   1H5*    A   2          1H5*        A   2  -7.691  10.902  10.902
   14   2H5*    A   2          2H5*        A   2  -9.030   9.757   9.757
   15    H4*    A   2           H4*        A   2  -8.362  10.501  10.501
   16    H3*    A   2           H3*        A   2  -8.284   7.715   7.715
   17   1H2*    A   2          1H2*        A   2  -6.140   7.431   7.431
   18   2H2*    A   2          2H2*        A   2  -6.579   7.343   7.343
   19    H1*    A   2           H1*        A   2  -6.054   9.657   9.657
   20    H8     A   2           H8         A   2  -4.369   8.212   8.212
   21   1H6     A   2          1H6         A   2   0.885  10.670  10.670
   22   2H6     A   2          2H6         A   2   0.035   9.838   9.838
   23    H2     A   2           H2         A   2  -2.183  11.082  11.082
   24   1H5*    T   3          1H5*        T   3  -8.400   9.393   9.393
   25   2H5*    T   3          2H5*        T   3  -9.379   8.497   8.497
   26    H4*    T   3           H4*        T   3  -7.289   9.485   9.485
   27    H3*    T   3           H3*        T   3  -8.027   6.654   6.654
   28   1H2*    T   3          1H2*        T   3  -5.999   5.908   5.908
   29   2H2*    T   3          2H2*        T   3  -5.363   6.477   6.477
   30    H1*    T   3           H1*        T   3  -4.708   8.544   8.544
   31    H3     T   3           H3         T   3  -0.827   7.612   7.612
   32   1H5M    T   3          1H5M        T   3  -3.365   5.809   5.809
   33   2H5M    T   3          2H5M        T   3  -3.548   4.420   4.420
   34   3H5M    T   3          3H5M        T   3  -4.948   5.462   5.462
   35    H6     T   3           H6         T   3  -5.431   6.421   6.421
   36   1H5*    G   4          1H5*        G   4  -5.135   7.980   7.980
   37   2H5*    G   4          2H5*        G   4  -5.750   7.215   7.215
   38    H4*    G   4           H4*        G   4  -3.388   6.828   6.828
   39    H3*    G   4           H3*        G   4  -5.225   4.603   4.603
   40   1H2*    G   4          1H2*        G   4  -4.467   3.798   3.798
   41   2H2*    G   4          2H2*        G   4  -3.217   3.072   3.072
   42    H1*    G   4           H1*        G   4  -1.714   4.960   4.960
   43    H8     G   4           H8         G   4  -4.321   4.076   4.076
   44    H1     G   4           H1         G   4   1.592   4.910   4.910
   45   1H2     G   4          1H2         G   4   3.015   5.407   5.407
   46   2H2     G   4          2H2         G   4   2.391   5.557   5.557
   47   1H5*    G   5          1H5*        G   5  -0.764   4.717   4.717
   48   2H5*    G   5          2H5*        G   5  -0.553   3.931   3.931
   49    H4*    G   5           H4*        G   5   1.524   3.758   3.758
   50    H3*    G   5           H3*        G   5   0.102   1.362   1.362
   51   1H2*    G   5          1H2*        G   5  -0.220   0.693   0.693
   52   2H2*    G   5          2H2*        G   5   1.451   0.130   0.130
   53    H1*    G   5           H1*        G   5   2.325   2.083   2.083
   54    H8     G   5           H8         G   5  -1.437   1.884   1.884
   55    H1     G   5           H1         G   5   2.103   1.614   1.614
   56   1H2     G   5          1H2         G   5   4.331   1.643   1.643
   57   2H2     G   5          2H2         G   5   4.783   1.724   1.724
   58   1H5*    C   6          1H5*        C   6   4.712   1.217   1.217
   59   2H5*    C   6          2H5*        C   6   5.507  -0.036  -0.036
   60    H4*    C   6           H4*        C   6   6.363   0.019   0.019
   61    H3*    C   6           H3*        C   6   5.334  -2.344  -2.344
   62   1H2*    C   6          1H2*        C   6   3.916  -2.975  -2.975
   63   2H2*    C   6          2H2*        C   6   5.326  -3.434  -3.434
   64    H1*    C   6           H1*        C   6   5.473  -1.389  -1.389
   65   1H4     C   6          1H4         C   6  -0.366  -1.702  -1.702
   66   2H4     C   6          2H4         C   6  -1.156  -1.490  -1.490
   67    H5     C   6           H5         C   6   0.036  -1.613  -1.613
   68    H6     C   6           H6         C   6   2.260  -1.485  -1.485
   69   1H5*    C   7          1H5*        C   7   7.641  -2.548  -2.548
   70   2H5*    C   7          2H5*        C   7   9.126  -3.430  -3.430
   71    H4*    C   7           H4*        C   7   8.366  -3.962  -3.962
   72    H3*    C   7           H3*        C   7   8.277  -6.161  -6.161
   73   1H2*    C   7          1H2*        C   7   6.161  -6.741  -6.741
   74   2H2*    C   7          2H2*        C   7   6.696  -7.367  -7.367
   75    H1*    C   7           H1*        C   7   6.268  -5.477  -5.477
   76   1H4     C   7          1H4         C   7  -0.109  -4.555  -4.555
   77   2H4     C   7          2H4         C   7   0.108  -4.641  -4.641
   78    H5     C   7           H5         C   7   2.254  -5.082  -5.082
   79    H6     C   7           H6         C   7   4.637  -5.433  -5.433
   80   1H5*    A   8          1H5*        A   8   7.845  -6.795  -6.795
   81   2H5*    A   8          2H5*        A   8   9.223  -7.657  -7.657
   82    H4*    A   8           H4*        A   8   7.508  -8.430  -8.430
   83    H3*    A   8           H3*        A   8   8.210 -10.438 -10.438
   84   1H2*    A   8          1H2*        A   8   6.164 -10.572 -10.572
   85   2H2*    A   8          2H2*        A   8   5.709 -11.484 -11.484
   86    H1*    A   8           H1*        A   8   4.816  -9.579  -9.579
   87    H8     A   8           H8         A   8   5.119  -9.178  -9.178
   88   1H6     A   8          1H6         A   8  -0.641  -7.140  -7.140
   89   2H6     A   8          2H6         A   8   0.760  -7.697  -7.697
   90    H2     A   8           H2         A   8   0.453  -8.040  -8.040
   91   1H5*    T   9          1H5*        T   9   5.905 -11.183 -11.183
   92   2H5*    T   9          2H5*        T   9   5.988 -12.778 -12.778
   93    H4*    T   9           H4*        T   9   3.737 -11.685 -11.685
   94    H3*    T   9           H3*        T   9   4.311 -14.412 -14.412
   95   1H2*    T   9          1H2*        T   9   2.952 -14.238 -14.238
   96   2H2*    T   9          2H2*        T   9   1.555 -14.179 -14.179
   97    H1*    T   9           H1*        T   9   1.591 -11.804 -11.804
   98    H3     T   9           H3         T   9  -0.441 -10.755 -10.755
   99   1H5M    T   9          1H5M        T   9   4.678 -12.320 -12.320
  100   2H5M    T   9          2H5M        T   9   3.716 -11.427 -11.427
  101   3H5M    T   9          3H5M        T   9   3.470 -13.172 -13.172
  102    H6     T   9           H6         T   9   3.810 -12.659 -12.659
  103   1H5*    G  10          1H5*        G  10  -0.106 -14.674 -14.674
  104   2H5*    G  10          2H5*        G  10  -0.122 -16.345 -16.345
  105    H4*    G  10           H4*        G  10  -1.898 -16.246 -16.246
  106    H3*    G  10           H3*        G  10   0.520 -17.487 -17.487
  107   1H2*    G  10          1H2*        G  10  -0.324 -17.026 -17.026
  108   2H2*    G  10          2H2*        G  10  -1.883 -17.752 -17.752
  109    H1*    G  10           H1*        G  10  -2.811 -15.768 -15.768
  110    H8     G  10           H8         G  10   0.443 -14.957 -14.957
  111    H1     G  10           H1         G  10  -4.883 -12.925 -12.925
  112   1H2     G  10          1H2         G  10  -6.686 -13.305 -13.305
  113   2H2     G  10          2H2         G  10  -6.466 -14.128 -14.128
  114    H3T    G  10           H3T        G  10  -1.009 -19.354 -19.354
  115   1H5*    C  11          1H5*        C  11  -5.953 -10.438 -10.438
  116   2H5*    C  11          2H5*        C  11  -7.181 -11.071 -11.071
  117    H4*    C  11           H4*        C  11  -9.004 -10.449 -10.449
  118    H3*    C  11           H3*        C  11  -7.800  -8.188  -8.188
  119   1H2*    C  11          1H2*        C  11  -6.034  -9.441  -9.441
  120   2H2*    C  11          2H2*        C  11  -7.239  -9.147  -9.147
  121    H1*    C  11           H1*        C  11  -8.360 -11.179 -11.179
  122   1H4     C  11          1H4         C  11  -3.986 -15.141 -15.141
  123   2H4     C  11          2H4         C  11  -3.007 -15.053 -15.053
  124    H5     C  11           H5         C  11  -3.546 -13.470 -13.470
  125    H6     C  11           H6         C  11  -5.181 -11.877 -11.877
  126   1H5*    A  12          1H5*        A  12  -9.759  -9.888  -9.888
  127   2H5*    A  12          2H5*        A  12 -10.913  -8.653  -8.653
  128    H4*    A  12           H4*        A  12  -9.686  -9.444  -9.444
  129    H3*    A  12           H3*        A  12  -9.625  -6.656  -6.656
  130   1H2*    A  12          1H2*        A  12  -7.412  -6.535  -6.535
  131   2H2*    A  12          2H2*        A  12  -7.459  -6.444  -6.444
  132    H1*    A  12           H1*        A  12  -7.070  -8.807  -8.807
  133    H8     A  12           H8         A  12  -5.943  -7.414  -7.414
  134   1H6     A  12          1H6         A  12  -0.550 -10.169 -10.169
  135   2H6     A  12          2H6         A  12  -1.607  -9.258  -9.258
  136    H2     A  12           H2         A  12  -2.920 -10.519 -10.519
  137   1H5*    T  13          1H5*        T  13  -8.871  -8.433  -8.433
  138   2H5*    T  13          2H5*        T  13  -9.547  -7.547  -7.547
  139    H4*    T  13           H4*        T  13  -7.359  -8.601  -8.601
  140    H3*    T  13           H3*        T  13  -7.906  -5.730  -5.730
  141   1H2*    T  13          1H2*        T  13  -6.018  -5.087  -5.087
  142   2H2*    T  13          2H2*        T  13  -5.109  -5.691  -5.691
  143    H1*    T  13           H1*        T  13  -4.743  -7.789  -7.789
  144    H3     T  13           H3         T  13  -1.368  -7.138  -7.138
  145   1H5M    T  13          1H5M        T  13  -4.270  -3.815  -3.815
  146   2H5M    T  13          2H5M        T  13  -5.831  -4.670  -4.670
  147   3H5M    T  13          3H5M        T  13  -4.535  -5.243  -5.243
  148    H6     T  13           H6         T  13  -5.925  -5.630  -5.630
  149   1H5*    G  14          1H5*        G  14  -4.481  -7.296  -7.296
  150   2H5*    G  14          2H5*        G  14  -4.674  -6.591  -6.591
  151    H4*    G  14           H4*        G  14  -2.390  -6.347  -6.347
  152    H3*    G  14           H3*        G  14  -3.986  -3.978  -3.978
  153   1H2*    G  14          1H2*        G  14  -3.626  -3.161  -3.161
  154   2H2*    G  14          2H2*        G  14  -2.123  -2.573  -2.573
  155    H1*    G  14           H1*        G  14  -0.924  -4.542  -4.542
  156    H8     G  14           H8         G  14  -3.980  -3.357  -3.357
  157    H1     G  14           H1         G  14   1.220  -4.617  -4.617
  158   1H2     G  14          1H2         G  14   2.930  -5.259  -5.259
  159   2H2     G  14          2H2         G  14   2.645  -5.413  -5.413
  160   1H5*    G  15          1H5*        G  15   0.610  -4.376  -4.376
  161   2H5*    G  15          2H5*        G  15   1.225  -3.637  -3.637
  162    H4*    G  15           H4*        G  15   2.972  -3.584  -3.584
  163    H3*    G  15           H3*        G  15   1.921  -1.093  -1.093
  164   1H2*    G  15          1H2*        G  15   1.204  -0.373  -0.373
  165   2H2*    G  15          2H2*        G  15   2.900   0.044   0.044
  166    H1*    G  15           H1*        G  15   3.373  -1.955  -1.955
  167    H8     G  15           H8         G  15  -0.417  -1.489  -1.489
  168    H1     G  15           H1         G  15   1.927  -1.383  -1.383
  169   1H2     G  15          1H2         G  15   4.219  -1.619  -1.619
  170   2H2     G  15          2H2         G  15   5.003  -1.779  -1.779
  171   1H5*    C  16          1H5*        C  16   6.083  -1.394  -1.394
  172   2H5*    C  16          2H5*        C  16   7.224  -0.284  -0.284
  173    H4*    C  16           H4*        C  16   7.541  -0.340  -0.340
  174    H3*    C  16           H3*        C  16   7.113   2.079   2.079
  175   1H2*    C  16          1H2*        C  16   5.419   2.894   2.894
  176   2H2*    C  16          2H2*        C  16   6.625   3.259   3.259
  177    H1*    C  16           H1*        C  16   6.321   1.231   1.231
  178   1H4     C  16          1H4         C  16   0.067   2.111   2.111
  179   2H4     C  16          2H4         C  16  -0.398   1.925   1.925
  180    H5     C  16           H5         C  16   1.225   1.933   1.933
  181    H6     C  16           H6         C  16   3.592   1.618   1.618
  182   1H5*    C  17          1H5*        C  17   8.509   2.244   2.244
  183   2H5*    C  17          2H5*        C  17  10.088   2.960   2.960
  184    H4*    C  17           H4*        C  17   8.945   3.720   3.720
  185    H3*    C  17           H3*        C  17   9.418   5.819   5.819
  186   1H2*    C  17          1H2*        C  17   7.324   6.559   6.559
  187   2H2*    C  17          2H2*        C  17   7.585   7.215   7.215
  188    H1*    C  17           H1*        C  17   6.776   5.405   5.405
  189   1H4     C  17          1H4         C  17   0.685   4.963   4.963
  190   2H4     C  17          2H4         C  17   1.272   4.955   4.955
  191    H5     C  17           H5         C  17   3.622   5.137   5.137
  192    H6     C  17           H6         C  17   5.872   5.322   5.322
  193   1H5*    A  18          1H5*        A  18   8.219   6.507   6.507
  194   2H5*    A  18          2H5*        A  18   9.465   7.277   7.277
  195    H4*    A  18           H4*        A  18   7.509   8.051   8.051
  196    H3*    A  18           H3*        A  18   8.727  10.127  10.127
  197   1H2*    A  18          1H2*        A  18   6.974  10.416  10.416
  198   2H2*    A  18          2H2*        A  18   6.261  11.311  11.311
  199    H1*    A  18           H1*        A  18   5.036   9.409   9.409
  200    H8     A  18           H8         A  18   6.126   9.149   9.149
  201   1H6     A  18          1H6         A  18   0.347   7.549   7.549
  202   2H6     A  18          2H6         A  18   1.925   8.034   8.034
  203    H2     A  18           H2         A  18   0.603   8.274   8.274
  204   1H5*    T  19          1H5*        T  19   5.645  10.675  10.675
  205   2H5*    T  19          2H5*        T  19   5.680  12.161  12.161
  206    H4*    T  19           H4*        T  19   3.416  11.375  11.375
  207    H3*    T  19           H3*        T  19   4.470  14.064  14.064
  208   1H2*    T  19          1H2*        T  19   3.501  14.183  14.183
  209   2H2*    T  19          2H2*        T  19   1.906  14.197  14.197
  210    H1*    T  19           H1*        T  19   1.681  11.856  11.856
  211    H3     T  19           H3         T  19   0.536  11.170  11.170
  212   1H5M    T  19          1H5M        T  19   4.979  13.373  13.373
  213   2H5M    T  19          2H5M        T  19   5.848  12.256  12.256
  214   3H5M    T  19          3H5M        T  19   5.066  11.646  11.646
  215    H6     T  19           H6         T  19   4.536  12.629  12.629
  216   1H5*    G  20          1H5*        G  20  -0.152  14.738  14.738
  217   2H5*    G  20          2H5*        G  20  -0.139  16.396  16.396
  218    H4*    G  20           H4*        G  20  -1.621  16.399  16.399
  219    H3*    G  20           H3*        G  20   1.059  17.592  17.592
  220   1H2*    G  20          1H2*        G  20   0.609  17.308  17.308
  221   2H2*    G  20          2H2*        G  20  -0.983  18.061  18.061
  222    H1*    G  20           H1*        G  20  -2.087  16.077  16.077
  223    H8     G  20           H8         G  20   1.433  15.269  15.269
  224    H1     G  20           H1         G  20  -3.422  13.201  13.201
  225   1H2     G  20          1H2         G  20  -5.411  13.513  13.513
  226   2H2     G  20          2H2         G  20  -5.367  14.302  14.302

  Start of MODEL    8
    1   1H5*    C   1          1H5*        C   1  -4.151   9.211   9.211
    2   2H5*    C   1          2H5*        C   1  -5.302  10.515  10.515
    3    H4*    C   1           H4*        C   1  -5.086  10.838  10.838
    4    H3*    C   1           H3*        C   1  -5.731   7.979   7.979
    5   1H2*    C   1          1H2*        C   1  -4.184   7.428   7.428
    6   2H2*    C   1          2H2*        C   1  -4.161   9.106   9.106
    7    H1*    C   1           H1*        C   1  -2.124   9.461   9.461
    8   1H4     C   1          1H4         C   1   0.262   4.199   4.199
    9   2H4     C   1          2H4         C   1  -1.203   3.881   3.881
   10    H5     C   1           H5         C   1  -3.192   5.363   5.363
   11    H6     C   1           H6         C   1  -4.058   7.324   7.324
   12    H5T    C   1           H5T        C   1  -6.349   8.451   8.451
   13   1H5*    A   2          1H5*        A   2  -7.365  10.958  10.958
   14   2H5*    A   2          2H5*        A   2  -8.804   9.941   9.941
   15    H4*    A   2           H4*        A   2  -8.156  10.621  10.621
   16    H3*    A   2           H3*        A   2  -8.125   7.835   7.835
   17   1H2*    A   2          1H2*        A   2  -6.014   7.420   7.420
   18   2H2*    A   2          2H2*        A   2  -6.551   7.482   7.482
   19    H1*    A   2           H1*        A   2  -5.926   9.732   9.732
   20    H8     A   2           H8         A   2  -4.228   8.232   8.232
   21   1H6     A   2          1H6         A   2   1.045  10.612  10.612
   22   2H6     A   2          2H6         A   2   0.205   9.801   9.801
   23    H2     A   2           H2         A   2  -2.069  11.077  11.077
   24   1H5*    T   3          1H5*        T   3  -8.363   9.468   9.468
   25   2H5*    T   3          2H5*        T   3  -9.405   8.599   8.599
   26    H4*    T   3           H4*        T   3  -7.309   9.498   9.498
   27    H3*    T   3           H3*        T   3  -8.103   6.675   6.675
   28   1H2*    T   3          1H2*        T   3  -6.063   5.913   5.913
   29   2H2*    T   3          2H2*        T   3  -5.462   6.469   6.469
   30    H1*    T   3           H1*        T   3  -4.767   8.535   8.535
   31    H3     T   3           H3         T   3  -0.844   7.590   7.590
   32   1H5M    T   3          1H5M        T   3  -3.471   4.398   4.398
   33   2H5M    T   3          2H5M        T   3  -4.901   5.395   5.395
   34   3H5M    T   3          3H5M        T   3  -3.326   5.785   5.785
   35    H6     T   3           H6         T   3  -5.432   6.426   6.426
   36   1H5*    G   4          1H5*        G   4  -5.280   7.906   7.906
   37   2H5*    G   4          2H5*        G   4  -5.961   7.118   7.118
   38    H4*    G   4           H4*        G   4  -3.612   6.700   6.700
   39    H3*    G   4           H3*        G   4  -5.462   4.487   4.487
   40   1H2*    G   4          1H2*        G   4  -4.644   3.736   3.736
   41   2H2*    G   4          2H2*        G   4  -3.436   2.968   2.968
   42    H1*    G   4           H1*        G   4  -1.901   4.846   4.846
   43    H8     G   4           H8         G   4  -4.417   4.070   4.070
   44    H1     G   4           H1         G   4   1.575   4.864   4.864
   45   1H2     G   4          1H2         G   4   2.951   5.303   5.303
   46   2H2     G   4          2H2         G   4   2.279   5.440   5.440
   47   1H5*    G   5          1H5*        G   5  -1.042   4.508   4.508
   48   2H5*    G   5          2H5*        G   5  -0.883   3.651   3.651
   49    H4*    G   5           H4*        G   5   1.243   3.548   3.548
   50    H3*    G   5           H3*        G   5  -0.198   1.144   1.144
   51   1H2*    G   5          1H2*        G   5  -0.477   0.525   0.525
   52   2H2*    G   5          2H2*        G   5   1.189  -0.049  -0.049
   53    H1*    G   5           H1*        G   5   2.094   1.918   1.918
   54    H8     G   5           H8         G   5  -1.657   1.763   1.763
   55    H1     G   5           H1         G   5   1.981   1.566   1.566
   56   1H2     G   5          1H2         G   5   4.197   1.568   1.568
   57   2H2     G   5          2H2         G   5   4.614   1.633   1.633
   58   1H5*    C   6          1H5*        C   6   4.451   1.014   1.014
   59   2H5*    C   6          2H5*        C   6   5.204  -0.280  -0.280
   60    H4*    C   6           H4*        C   6   6.085  -0.166  -0.166
   61    H3*    C   6           H3*        C   6   5.061  -2.575  -2.575
   62   1H2*    C   6          1H2*        C   6   3.656  -3.157  -3.157
   63   2H2*    C   6          2H2*        C   6   5.071  -3.598  -3.598
   64    H1*    C   6           H1*        C   6   5.232  -1.505  -1.505
   65   1H4     C   6          1H4         C   6  -0.539  -1.748  -1.748
   66   2H4     C   6          2H4         C   6  -1.361  -1.577  -1.577
   67    H5     C   6           H5         C   6  -0.211  -1.755  -1.755
   68    H6     C   6           H6         C   6   1.998  -1.661  -1.661
   69   1H5*    C   7          1H5*        C   7   7.381  -2.655  -2.655
   70   2H5*    C   7          2H5*        C   7   8.878  -3.530  -3.530
   71    H4*    C   7           H4*        C   7   8.142  -4.015  -4.015
   72    H3*    C   7           H3*        C   7   8.012  -6.262  -6.262
   73   1H2*    C   7          1H2*        C   7   5.904  -6.816  -6.816
   74   2H2*    C   7          2H2*        C   7   6.457  -7.408  -7.408
   75    H1*    C   7           H1*        C   7   6.051  -5.488  -5.488
   76   1H4     C   7          1H4         C   7  -0.340  -4.610  -4.610
   77   2H4     C   7          2H4         C   7  -0.142  -4.758  -4.758
   78    H5     C   7           H5         C   7   1.995  -5.215  -5.215
   79    H6     C   7           H6         C   7   4.376  -5.538  -5.538
   80   1H5*    A   8          1H5*        A   8   7.666  -6.773  -6.773
   81   2H5*    A   8          2H5*        A   8   9.045  -7.633  -7.633
   82    H4*    A   8           H4*        A   8   7.348  -8.315  -8.315
   83    H3*    A   8           H3*        A   8   8.007 -10.417 -10.417
   84   1H2*    A   8          1H2*        A   8   5.962 -10.571 -10.571
   85   2H2*    A   8          2H2*        A   8   5.532 -11.432 -11.432
   86    H1*    A   8           H1*        A   8   4.647  -9.482  -9.482
   87    H8     A   8           H8         A   8   4.887  -9.228  -9.228
   88   1H6     A   8          1H6         A   8  -0.868  -7.187  -7.187
   89   2H6     A   8          2H6         A   8   0.514  -7.783  -7.783
   90    H2     A   8           H2         A   8   0.275  -7.964  -7.964
   91   1H5*    T   9          1H5*        T   9   5.769 -10.878 -10.878
   92   2H5*    T   9          2H5*        T   9   5.909 -12.408 -12.408
   93    H4*    T   9           H4*        T   9   3.619 -11.395 -11.395
   94    H3*    T   9           H3*        T   9   4.269 -14.153 -14.153
   95   1H2*    T   9          1H2*        T   9   2.859 -14.152 -14.152
   96   2H2*    T   9          2H2*        T   9   1.487 -14.040 -14.040
   97    H1*    T   9           H1*        T   9   1.445 -11.685 -11.685
   98    H3     T   9           H3         T   9  -0.583 -10.847 -10.847
   99   1H5M    T   9          1H5M        T   9   3.799 -13.533 -13.533
  100   2H5M    T   9          2H5M        T   9   4.401 -11.866 -11.866
  101   3H5M    T   9          3H5M        T   9   3.139 -12.353 -12.353
  102    H6     T   9           H6         T   9   3.663 -12.687 -12.687
  103   1H5*    G  10          1H5*        G  10  -0.094 -14.374 -14.374
  104   2H5*    G  10          2H5*        G  10  -0.100 -16.026 -16.026
  105    H4*    G  10           H4*        G  10  -1.917 -15.955 -15.955
  106    H3*    G  10           H3*        G  10   0.456 -17.244 -17.244
  107   1H2*    G  10          1H2*        G  10  -0.500 -16.909 -16.909
  108   2H2*    G  10          2H2*        G  10  -2.043 -17.588 -17.588
  109    H1*    G  10           H1*        G  10  -2.895 -15.566 -15.566
  110    H8     G  10           H8         G  10   0.207 -14.905 -14.905
  111    H1     G  10           H1         G  10  -5.287 -12.432 -12.432
  112   1H2     G  10          1H2         G  10  -6.922 -12.676 -12.676
  113   2H2     G  10          2H2         G  10  -6.527 -13.539 -13.539
  114    H3T    G  10           H3T        G  10  -1.050 -19.119 -19.119
  115   1H5*    C  11          1H5*        C  11  -4.761  -6.860  -6.860
  116   2H5*    C  11          2H5*        C  11  -6.131  -6.443  -6.443
  117    H4*    C  11           H4*        C  11  -7.653  -7.832  -7.832
  118    H3*    C  11           H3*        C  11  -6.578  -7.358  -7.358
  119   1H2*    C  11          1H2*        C  11  -4.441  -8.387  -8.387
  120   2H2*    C  11          2H2*        C  11  -5.264  -9.679  -9.679
  121    H1*    C  11           H1*        C  11  -6.219 -10.700 -10.700
  122   1H4     C  11          1H4         C  11  -0.542 -13.154 -13.154
  123   2H4     C  11          2H4         C  11  -0.030 -11.699 -11.699
  124    H5     C  11           H5         C  11  -1.422  -9.633  -9.633
  125    H6     C  11           H6         C  11  -3.521  -8.718  -8.718
  126   1H5*    A  12          1H5*        A  12  -9.431 -10.248 -10.248
  127   2H5*    A  12          2H5*        A  12 -10.829  -9.210  -9.210
  128    H4*    A  12           H4*        A  12  -9.858  -9.740  -9.740
  129    H3*    A  12           H3*        A  12  -9.824  -6.984  -6.984
  130   1H2*    A  12          1H2*        A  12  -7.616  -6.840  -6.840
  131   2H2*    A  12          2H2*        A  12  -7.682  -6.579  -6.579
  132    H1*    A  12           H1*        A  12  -7.178  -8.911  -8.911
  133    H8     A  12           H8         A  12  -6.187  -7.808  -7.808
  134   1H6     A  12          1H6         A  12  -0.712 -10.362 -10.362
  135   2H6     A  12          2H6         A  12  -1.807  -9.533  -9.533
  136    H2     A  12           H2         A  12  -2.982 -10.470 -10.470
  137   1H5*    T  13          1H5*        T  13  -9.055  -8.432  -8.432
  138   2H5*    T  13          2H5*        T  13  -9.730  -7.433  -7.433
  139    H4*    T  13           H4*        T  13  -7.509  -8.407  -8.407
  140    H3*    T  13           H3*        T  13  -8.069  -5.521  -5.521
  141   1H2*    T  13          1H2*        T  13  -6.154  -4.951  -4.951
  142   2H2*    T  13          2H2*        T  13  -5.258  -5.519  -5.519
  143    H1*    T  13           H1*        T  13  -4.916  -7.646  -7.646
  144    H3     T  13           H3         T  13  -1.571  -7.108  -7.108
  145   1H5M    T  13          1H5M        T  13  -4.753  -5.393  -5.393
  146   2H5M    T  13          2H5M        T  13  -4.612  -3.917  -3.917
  147   3H5M    T  13          3H5M        T  13  -6.109  -4.880  -4.880
  148    H6     T  13           H6         T  13  -6.150  -5.664  -5.664
  149   1H5*    G  14          1H5*        G  14  -4.694  -7.000  -7.000
  150   2H5*    G  14          2H5*        G  14  -4.875  -6.128  -6.128
  151    H4*    G  14           H4*        G  14  -2.554  -6.108  -6.108
  152    H3*    G  14           H3*        G  14  -4.022  -3.651  -3.651
  153   1H2*    G  14          1H2*        G  14  -3.683  -2.944  -2.944
  154   2H2*    G  14          2H2*        G  14  -2.148  -2.377  -2.377
  155    H1*    G  14           H1*        G  14  -1.037  -4.422  -4.422
  156    H8     G  14           H8         G  14  -4.103  -3.214  -3.214
  157    H1     G  14           H1         G  14   1.025  -4.624  -4.624
  158   1H2     G  14          1H2         G  14   2.756  -5.228  -5.228
  159   2H2     G  14          2H2         G  14   2.490  -5.354  -5.354
  160   1H5*    G  15          1H5*        G  15   0.580  -4.276  -4.276
  161   2H5*    G  15          2H5*        G  15   1.251  -3.528  -3.528
  162    H4*    G  15           H4*        G  15   2.974  -3.557  -3.557
  163    H3*    G  15           H3*        G  15   1.995  -1.032  -1.032
  164   1H2*    G  15          1H2*        G  15   1.252  -0.313  -0.313
  165   2H2*    G  15          2H2*        G  15   2.956   0.067   0.067
  166    H1*    G  15           H1*        G  15   3.359  -1.944  -1.944
  167    H8     G  15           H8         G  15  -0.423  -1.398  -1.398
  168    H1     G  15           H1         G  15   1.793  -1.436  -1.436
  169   1H2     G  15          1H2         G  15   4.085  -1.698  -1.698
  170   2H2     G  15          2H2         G  15   4.897  -1.853  -1.853
  171   1H5*    C  16          1H5*        C  16   6.096  -1.386  -1.386
  172   2H5*    C  16          2H5*        C  16   7.265  -0.263  -0.263
  173    H4*    C  16           H4*        C  16   7.487  -0.382  -0.382
  174    H3*    C  16           H3*        C  16   7.143   2.090   2.090
  175   1H2*    C  16          1H2*        C  16   5.435   2.893   2.893
  176   2H2*    C  16          2H2*        C  16   6.621   3.185   3.185
  177    H1*    C  16           H1*        C  16   6.251   1.129   1.129
  178   1H4     C  16          1H4         C  16  -0.006   2.122   2.122
  179   2H4     C  16          2H4         C  16  -0.444   1.985   1.985
  180    H5     C  16           H5         C  16   1.212   1.977   1.977
  181    H6     C  16           H6         C  16   3.590   1.634   1.634
  182   1H5*    C  17          1H5*        C  17   8.450   2.050   2.050
  183   2H5*    C  17          2H5*        C  17  10.030   2.750   2.750
  184    H4*    C  17           H4*        C  17   8.810   3.397   3.397
  185    H3*    C  17           H3*        C  17   9.454   5.584   5.584
  186   1H2*    C  17          1H2*        C  17   7.378   6.374   6.374
  187   2H2*    C  17          2H2*        C  17   7.571   6.971   6.971
  188    H1*    C  17           H1*        C  17   6.670   5.134   5.134
  189   1H4     C  17          1H4         C  17   0.672   4.941   4.941
  190   2H4     C  17          2H4         C  17   1.307   4.981   4.981
  191    H5     C  17           H5         C  17   3.683   5.155   5.155
  192    H6     C  17           H6         C  17   5.910   5.245   5.245
  193   1H5*    A  18          1H5*        A  18   7.967   6.209   6.209
  194   2H5*    A  18          2H5*        A  18   9.216   6.904   6.904
  195    H4*    A  18           H4*        A  18   7.261   7.794   7.794
  196    H3*    A  18           H3*        A  18   8.681   9.758   9.758
  197   1H2*    A  18          1H2*        A  18   6.999  10.176  10.176
  198   2H2*    A  18          2H2*        A  18   6.269  11.104  11.104
  199    H1*    A  18           H1*        A  18   4.916   9.289   9.289
  200    H8     A  18           H8         A  18   6.166   8.931   8.931
  201   1H6     A  18          1H6         A  18   0.394   7.516   7.516
  202   2H6     A  18          2H6         A  18   2.007   7.957   7.957
  203    H2     A  18           H2         A  18   0.484   8.274   8.274
  204   1H5*    T  19          1H5*        T  19   5.559  10.641  10.641
  205   2H5*    T  19          2H5*        T  19   5.621  12.173  12.173
  206    H4*    T  19           H4*        T  19   3.371  11.405  11.405
  207    H3*    T  19           H3*        T  19   4.489  14.061  14.061
  208   1H2*    T  19          1H2*        T  19   3.616  14.135  14.135
  209   2H2*    T  19          2H2*        T  19   1.993  14.222  14.222
  210    H1*    T  19           H1*        T  19   1.713  11.870  11.870
  211    H3     T  19           H3         T  19   0.669  11.138  11.138
  212   1H5M    T  19          1H5M        T  19   6.011  12.160  12.160
  213   2H5M    T  19          2H5M        T  19   5.326  11.295  11.295
  214   3H5M    T  19          3H5M        T  19   5.180  13.061  13.061
  215    H6     T  19           H6         T  19   4.655  12.505  12.505
  216   1H5*    G  20          1H5*        G  20  -0.187  14.747  14.747
  217   2H5*    G  20          2H5*        G  20  -0.191  16.403  16.403
  218    H4*    G  20           H4*        G  20  -1.563  16.479  16.479
  219    H3*    G  20           H3*        G  20   1.203  17.520  17.520
  220   1H2*    G  20          1H2*        G  20   0.792  17.247  17.247
  221   2H2*    G  20          2H2*        G  20  -0.769  18.072  18.072
  222    H1*    G  20           H1*        G  20  -1.968  16.147  16.147
  223    H8     G  20           H8         G  20   1.537  15.177  15.177
  224    H1     G  20           H1         G  20  -3.377  13.219  13.219
  225   1H2     G  20          1H2         G  20  -5.360  13.642  13.642
  226   2H2     G  20          2H2         G  20  -5.290  14.455  14.455

  Start of MODEL    9
    1   1H5*    C   1          1H5*        C   1  -3.294   9.780   9.780
    2   2H5*    C   1          2H5*        C   1  -4.206  10.508  10.508
    3    H4*    C   1           H4*        C   1  -6.253  10.536  10.536
    4    H3*    C   1           H3*        C   1  -5.762   8.205   8.205
    5   1H2*    C   1          1H2*        C   1  -3.888   9.160   9.160
    6   2H2*    C   1          2H2*        C   1  -5.261   9.296   9.296
    7    H1*    C   1           H1*        C   1  -5.775  11.559  11.559
    8   1H4     C   1          1H4         C   1  -0.358  13.280  13.280
    9   2H4     C   1          2H4         C   1   0.597  13.095  13.095
   10    H5     C   1           H5         C   1  -0.391  12.129  12.129
   11    H6     C   1           H6         C   1  -2.426  11.302  11.302
   12    H5T    C   1           H5T        C   1  -3.928   8.125   8.125
   13   1H5*    A   2          1H5*        A   2  -7.697  10.783  10.783
   14   2H5*    A   2          2H5*        A   2  -9.154   9.847   9.847
   15    H4*    A   2           H4*        A   2  -8.232  10.439  10.439
   16    H3*    A   2           H3*        A   2  -8.296   7.638   7.638
   17   1H2*    A   2          1H2*        A   2  -6.120   7.321   7.321
   18   2H2*    A   2          2H2*        A   2  -6.567   7.271   7.271
   19    H1*    A   2           H1*        A   2  -6.037   9.594   9.594
   20    H8     A   2           H8         A   2  -4.253   8.021   8.021
   21   1H6     A   2          1H6         A   2   0.988  10.375  10.375
   22   2H6     A   2          2H6         A   2   0.158   9.537   9.537
   23    H2     A   2           H2         A   2  -2.195  10.976  10.976
   24   1H5*    T   3          1H5*        T   3  -8.313   9.419   9.419
   25   2H5*    T   3          2H5*        T   3  -9.360   8.613   8.613
   26    H4*    T   3           H4*        T   3  -7.254   9.485   9.485
   27    H3*    T   3           H3*        T   3  -8.107   6.671   6.671
   28   1H2*    T   3          1H2*        T   3  -6.090   5.861   5.861
   29   2H2*    T   3          2H2*        T   3  -5.473   6.406   6.406
   30    H1*    T   3           H1*        T   3  -4.734   8.457   8.457
   31    H3     T   3           H3         T   3  -0.841   7.435   7.435
   32   1H5M    T   3          1H5M        T   3  -4.791   5.703   5.703
   33   2H5M    T   3          2H5M        T   3  -3.093   5.264   5.264
   34   3H5M    T   3          3H5M        T   3  -4.091   4.303   4.303
   35    H6     T   3           H6         T   3  -5.453   6.346   6.346
   36   1H5*    G   4          1H5*        G   4  -5.259   7.940   7.940
   37   2H5*    G   4          2H5*        G   4  -5.887   7.254   7.254
   38    H4*    G   4           H4*        G   4  -3.556   6.784   6.784
   39    H3*    G   4           H3*        G   4  -5.428   4.580   4.580
   40   1H2*    G   4          1H2*        G   4  -4.642   3.756   3.756
   41   2H2*    G   4          2H2*        G   4  -3.420   3.019   3.019
   42    H1*    G   4           H1*        G   4  -1.890   4.881   4.881
   43    H8     G   4           H8         G   4  -4.448   3.986   3.986
   44    H1     G   4           H1         G   4   1.548   4.656   4.656
   45   1H2     G   4          1H2         G   4   2.931   5.136   5.136
   46   2H2     G   4          2H2         G   4   2.260   5.353   5.353
   47   1H5*    G   5          1H5*        G   5  -1.023   4.631   4.631
   48   2H5*    G   5          2H5*        G   5  -0.864   3.832   3.832
   49    H4*    G   5           H4*        G   5   1.260   3.693   3.693
   50    H3*    G   5           H3*        G   5  -0.174   1.307   1.307
   51   1H2*    G   5          1H2*        G   5  -0.459   0.616   0.616
   52   2H2*    G   5          2H2*        G   5   1.204   0.042   0.042
   53    H1*    G   5           H1*        G   5   2.110   1.979   1.979
   54    H8     G   5           H8         G   5  -1.641   1.802   1.802
   55    H1     G   5           H1         G   5   2.035   1.381   1.381
   56   1H2     G   5          1H2         G   5   4.246   1.405   1.405
   57   2H2     G   5          2H2         G   5   4.650   1.543   1.543
   58   1H5*    C   6          1H5*        C   6   4.475   1.139   1.139
   59   2H5*    C   6          2H5*        C   6   5.233  -0.102  -0.102
   60    H4*    C   6           H4*        C   6   6.125  -0.105  -0.105
   61    H3*    C   6           H3*        C   6   5.091  -2.441  -2.441
   62   1H2*    C   6          1H2*        C   6   3.681  -3.102  -3.102
   63   2H2*    C   6          2H2*        C   6   5.092  -3.604  -3.604
   64    H1*    C   6           H1*        C   6   5.270  -1.567  -1.567
   65   1H4     C   6          1H4         C   6  -0.511  -1.884  -1.884
   66   2H4     C   6          2H4         C   6  -1.326  -1.614  -1.614
   67    H5     C   6           H5         C   6  -0.177  -1.728  -1.728
   68    H6     C   6           H6         C   6   2.032  -1.601  -1.601
   69   1H5*    C   7          1H5*        C   7   7.411  -2.758  -2.758
   70   2H5*    C   7          2H5*        C   7   8.902  -3.629  -3.629
   71    H4*    C   7           H4*        C   7   8.153  -4.235  -4.235
   72    H3*    C   7           H3*        C   7   7.974  -6.394  -6.394
   73   1H2*    C   7          1H2*        C   7   5.870  -6.944  -6.944
   74   2H2*    C   7          2H2*        C   7   6.426  -7.590  -7.590
   75    H1*    C   7           H1*        C   7   6.051  -5.698  -5.698
   76   1H4     C   7          1H4         C   7  -0.334  -4.734  -4.734
   77   2H4     C   7          2H4         C   7  -0.146  -4.799  -4.799
   78    H5     C   7           H5         C   7   1.987  -5.217  -5.217
   79    H6     C   7           H6         C   7   4.365  -5.591  -5.591
   80   1H5*    A   8          1H5*        A   8   7.664  -6.993  -6.993
   81   2H5*    A   8          2H5*        A   8   9.053  -7.859  -7.859
   82    H4*    A   8           H4*        A   8   7.391  -8.545  -8.545
   83    H3*    A   8           H3*        A   8   8.020 -10.616 -10.616
   84   1H2*    A   8          1H2*        A   8   5.936 -10.810 -10.810
   85   2H2*    A   8          2H2*        A   8   5.533 -11.656 -11.656
   86    H1*    A   8           H1*        A   8   4.667  -9.734  -9.734
   87    H8     A   8           H8         A   8   4.876  -9.408  -9.408
   88   1H6     A   8          1H6         A   8  -0.857  -7.292  -7.292
   89   2H6     A   8          2H6         A   8   0.514  -7.863  -7.863
   90    H2     A   8           H2         A   8   0.317  -8.215  -8.215
   91   1H5*    T   9          1H5*        T   9   5.785 -11.282 -11.282
   92   2H5*    T   9          2H5*        T   9   5.908 -12.865 -12.865
   93    H4*    T   9           H4*        T   9   3.631 -11.811 -11.811
   94    H3*    T   9           H3*        T   9   4.253 -14.538 -14.538
   95   1H2*    T   9          1H2*        T   9   2.843 -14.422 -14.422
   96   2H2*    T   9          2H2*        T   9   1.473 -14.364 -14.364
   97    H1*    T   9           H1*        T   9   1.459 -12.008 -12.008
   98    H3     T   9           H3         T   9  -0.636 -10.975 -10.975
   99   1H5M    T   9          1H5M        T   9   3.416 -11.717 -11.717
  100   2H5M    T   9          2H5M        T   9   3.230 -13.456 -13.456
  101   3H5M    T   9          3H5M        T   9   4.447 -12.513 -12.513
  102    H6     T   9           H6         T   9   3.637 -12.858 -12.858
  103   1H5*    G  10          1H5*        G  10  -0.108 -14.891 -14.891
  104   2H5*    G  10          2H5*        G  10  -0.106 -16.571 -16.571
  105    H4*    G  10           H4*        G  10  -1.914 -16.440 -16.440
  106    H3*    G  10           H3*        G  10   0.465 -17.609 -17.609
  107   1H2*    G  10          1H2*        G  10  -0.501 -17.150 -17.150
  108   2H2*    G  10          2H2*        G  10  -2.033 -17.884 -17.884
  109    H1*    G  10           H1*        G  10  -2.911 -15.922 -15.922
  110    H8     G  10           H8         G  10   0.184 -15.076 -15.076
  111    H1     G  10           H1         G  10  -5.330 -12.535 -12.535
  112   1H2     G  10          1H2         G  10  -6.964 -12.892 -12.892
  113   2H2     G  10          2H2         G  10  -6.569 -13.839 -13.839
  114    H3T    G  10           H3T        G  10  -1.024 -19.517 -19.517
  115   1H5*    C  11          1H5*        C  11  -4.782  -6.720  -6.720
  116   2H5*    C  11          2H5*        C  11  -6.174  -6.298  -6.298
  117    H4*    C  11           H4*        C  11  -7.675  -7.656  -7.656
  118    H3*    C  11           H3*        C  11  -6.526  -7.171  -7.171
  119   1H2*    C  11          1H2*        C  11  -4.425  -8.240  -8.240
  120   2H2*    C  11          2H2*        C  11  -5.247  -9.510  -9.510
  121    H1*    C  11           H1*        C  11  -6.253 -10.540 -10.540
  122   1H4     C  11          1H4         C  11  -0.608 -13.012 -13.012
  123   2H4     C  11          2H4         C  11  -0.117 -11.567 -11.567
  124    H5     C  11           H5         C  11  -1.529  -9.510  -9.510
  125    H6     C  11           H6         C  11  -3.601  -8.585  -8.585
  126   1H5*    A  12          1H5*        A  12  -9.528 -10.064 -10.064
  127   2H5*    A  12          2H5*        A  12 -10.878  -8.975  -8.975
  128    H4*    A  12           H4*        A  12  -9.909  -9.648  -9.648
  129    H3*    A  12           H3*        A  12  -9.821  -6.864  -6.864
  130   1H2*    A  12          1H2*        A  12  -7.571  -6.739  -6.739
  131   2H2*    A  12          2H2*        A  12  -7.654  -6.597  -6.597
  132    H1*    A  12           H1*        A  12  -7.213  -8.947  -8.947
  133    H8     A  12           H8         A  12  -6.196  -7.702  -7.702
  134   1H6     A  12          1H6         A  12  -0.770 -10.389 -10.389
  135   2H6     A  12          2H6         A  12  -1.854  -9.490  -9.490
  136    H2     A  12           H2         A  12  -3.044 -10.665 -10.665
  137   1H5*    T  13          1H5*        T  13  -9.026  -8.591  -8.591
  138   2H5*    T  13          2H5*        T  13  -9.691  -7.659  -7.659
  139    H4*    T  13           H4*        T  13  -7.497  -8.697  -8.697
  140    H3*    T  13           H3*        T  13  -8.036  -5.826  -5.826
  141   1H2*    T  13          1H2*        T  13  -6.154  -5.206  -5.206
  142   2H2*    T  13          2H2*        T  13  -5.229  -5.780  -5.780
  143    H1*    T  13           H1*        T  13  -4.878  -7.904  -7.904
  144    H3     T  13           H3         T  13  -1.548  -7.306  -7.306
  145   1H5M    T  13          1H5M        T  13  -6.040  -4.862  -4.862
  146   2H5M    T  13          2H5M        T  13  -4.716  -5.356  -5.356
  147   3H5M    T  13          3H5M        T  13  -4.510  -3.950  -3.950
  148    H6     T  13           H6         T  13  -6.100  -5.791  -5.791
  149   1H5*    G  14          1H5*        G  14  -4.595  -7.358  -7.358
  150   2H5*    G  14          2H5*        G  14  -4.734  -6.554  -6.554
  151    H4*    G  14           H4*        G  14  -2.449  -6.410  -6.410
  152    H3*    G  14           H3*        G  14  -3.986  -3.999  -3.999
  153   1H2*    G  14          1H2*        G  14  -3.645  -3.264  -3.264
  154   2H2*    G  14          2H2*        G  14  -2.117  -2.693  -2.693
  155    H1*    G  14           H1*        G  14  -0.993  -4.731  -4.731
  156    H8     G  14           H8         G  14  -4.056  -3.476  -3.476
  157    H1     G  14           H1         G  14   1.057  -4.804  -4.804
  158   1H2     G  14          1H2         G  14   2.781  -5.477  -5.477
  159   2H2     G  14          2H2         G  14   2.517  -5.657  -5.657
  160   1H5*    G  15          1H5*        G  15   0.570  -4.656  -4.656
  161   2H5*    G  15          2H5*        G  15   1.235  -3.927  -3.927
  162    H4*    G  15           H4*        G  15   2.978  -3.990  -3.990
  163    H3*    G  15           H3*        G  15   2.078  -1.466  -1.466
  164   1H2*    G  15          1H2*        G  15   1.336  -0.692  -0.692
  165   2H2*    G  15          2H2*        G  15   3.047  -0.334  -0.334
  166    H1*    G  15           H1*        G  15   3.408  -2.317  -2.317
  167    H8     G  15           H8         G  15  -0.366  -1.712  -1.712
  168    H1     G  15           H1         G  15   1.861  -1.621  -1.621
  169   1H2     G  15          1H2         G  15   4.152  -1.910  -1.910
  170   2H2     G  15          2H2         G  15   4.966  -2.111  -2.111
  171   1H5*    C  16          1H5*        C  16   6.241  -1.797  -1.797
  172   2H5*    C  16          2H5*        C  16   7.387  -0.685  -0.685
  173    H4*    C  16           H4*        C  16   7.624  -0.695  -0.695
  174    H3*    C  16           H3*        C  16   7.225   1.693   1.693
  175   1H2*    C  16          1H2*        C  16   5.516   2.532   2.532
  176   2H2*    C  16          2H2*        C  16   6.694   2.896   2.896
  177    H1*    C  16           H1*        C  16   6.360   0.876   0.876
  178   1H4     C  16          1H4         C  16   0.078   1.895   1.895
  179   2H4     C  16          2H4         C  16  -0.344   1.709   1.709
  180    H5     C  16           H5         C  16   1.322   1.645   1.645
  181    H6     C  16           H6         C  16   3.696   1.264   1.264
  182   1H5*    C  17          1H5*        C  17   8.571   1.820   1.820
  183   2H5*    C  17          2H5*        C  17  10.135   2.563   2.563
  184    H4*    C  17           H4*        C  17   8.905   3.205   3.205
  185    H3*    C  17           H3*        C  17   9.509   5.375   5.375
  186   1H2*    C  17          1H2*        C  17   7.424   6.147   6.147
  187   2H2*    C  17          2H2*        C  17   7.627   6.751   6.751
  188    H1*    C  17           H1*        C  17   6.752   4.910   4.910
  189   1H4     C  17          1H4         C  17   0.733   4.708   4.708
  190   2H4     C  17          2H4         C  17   1.365   4.720   4.720
  191    H5     C  17           H5         C  17   3.739   4.860   4.860
  192    H6     C  17           H6         C  17   5.970   4.969   4.969
  193   1H5*    A  18          1H5*        A  18   8.060   6.047   6.047
  194   2H5*    A  18          2H5*        A  18   9.308   6.755   6.755
  195    H4*    A  18           H4*        A  18   7.395   7.681   7.681
  196    H3*    A  18           H3*        A  18   8.740   9.608   9.608
  197   1H2*    A  18          1H2*        A  18   6.998   9.970   9.970
  198   2H2*    A  18          2H2*        A  18   6.305  10.920  10.920
  199    H1*    A  18           H1*        A  18   4.992   9.109   9.109
  200    H8     A  18           H8         A  18   6.154   8.662   8.662
  201   1H6     A  18          1H6         A  18   0.363   7.331   7.331
  202   2H6     A  18          2H6         A  18   1.993   7.702   7.702
  203    H2     A  18           H2         A  18   0.513   8.143   8.143
  204   1H5*    T  19          1H5*        T  19   5.614  10.457  10.457
  205   2H5*    T  19          2H5*        T  19   5.685  11.995  11.995
  206    H4*    T  19           H4*        T  19   3.411  11.212  11.212
  207    H3*    T  19           H3*        T  19   4.512  13.866  13.866
  208   1H2*    T  19          1H2*        T  19   3.629  13.922  13.922
  209   2H2*    T  19          2H2*        T  19   2.007  14.026  14.026
  210    H1*    T  19           H1*        T  19   1.711  11.679  11.679
  211    H3     T  19           H3         T  19   0.611  10.934  10.934
  212   1H5M    T  19          1H5M        T  19   5.581  12.930  12.930
  213   2H5M    T  19          2H5M        T  19   5.800  11.176  11.176
  214   3H5M    T  19          3H5M        T  19   4.971  12.015  12.015
  215    H6     T  19           H6         T  19   4.634  12.291  12.291
  216   1H5*    G  20          1H5*        G  20  -0.177  14.620  14.620
  217   2H5*    G  20          2H5*        G  20  -0.146  16.276  16.276
  218    H4*    G  20           H4*        G  20  -1.580  16.316  16.316
  219    H3*    G  20           H3*        G  20   1.139  17.486  17.486
  220   1H2*    G  20          1H2*        G  20   0.821  17.165  17.165
  221   2H2*    G  20          2H2*        G  20  -0.757  17.964  17.964
  222    H1*    G  20           H1*        G  20  -1.941  15.999  15.999
  223    H8     G  20           H8         G  20   1.653  15.103  15.103
  224    H1     G  20           H1         G  20  -2.921  13.114  13.114
  225   1H2     G  20          1H2         G  20  -5.003  13.508  13.508
  226   2H2     G  20          2H2         G  20  -5.083  14.318  14.318

  Start of MODEL   10
    1   1H5*    C   1          1H5*        C   1  -3.775  10.418  10.418
    2   2H5*    C   1          2H5*        C   1  -5.115  11.526  11.526
    3    H4*    C   1           H4*        C   1  -5.084  11.626  11.626
    4    H3*    C   1           H3*        C   1  -5.365   8.692   8.692
    5   1H2*    C   1          1H2*        C   1  -3.871   8.156   8.156
    6   2H2*    C   1          2H2*        C   1  -4.134   9.732   9.732
    7    H1*    C   1           H1*        C   1  -2.099  10.497  10.497
    8   1H4     C   1          1H4         C   1   1.258   5.967   5.967
    9   2H4     C   1          2H4         C   1  -0.038   5.609   5.609
   10    H5     C   1           H5         C   1  -2.239   6.761   6.761
   11    H6     C   1           H6         C   1  -3.482   8.429   8.429
   12    H5T    C   1           H5T        C   1  -5.782   9.428   9.428
   13   1H5*    A   2          1H5*        A   2  -7.350  11.243  11.243
   14   2H5*    A   2          2H5*        A   2  -8.759  10.177  10.177
   15    H4*    A   2           H4*        A   2  -8.170  10.963  10.963
   16    H3*    A   2           H3*        A   2  -8.215   8.159   8.159
   17   1H2*    A   2          1H2*        A   2  -6.076   7.806   7.806
   18   2H2*    A   2          2H2*        A   2  -6.596   7.733   7.733
   19    H1*    A   2           H1*        A   2  -5.980  10.027  10.027
   20    H8     A   2           H8         A   2  -4.247   8.521   8.521
   21   1H6     A   2          1H6         A   2   1.059  10.596  10.596
   22   2H6     A   2          2H6         A   2   0.210   9.841   9.841
   23    H2     A   2           H2         A   2  -2.110  11.144  11.144
   24   1H5*    T   3          1H5*        T   3  -8.309   9.882   9.882
   25   2H5*    T   3          2H5*        T   3  -9.395   9.059   9.059
   26    H4*    T   3           H4*        T   3  -7.282   9.852   9.852
   27    H3*    T   3           H3*        T   3  -8.222   7.073   7.073
   28   1H2*    T   3          1H2*        T   3  -6.220   6.203   6.203
   29   2H2*    T   3          2H2*        T   3  -5.615   6.689   6.689
   30    H1*    T   3           H1*        T   3  -4.789   8.728   8.728
   31    H3     T   3           H3         T   3  -0.893   7.602   7.602
   32   1H5M    T   3          1H5M        T   3  -3.550   4.663   4.663
   33   2H5M    T   3          2H5M        T   3  -5.055   5.591   5.591
   34   3H5M    T   3          3H5M        T   3  -3.564   6.128   6.128
   35    H6     T   3           H6         T   3  -5.534   6.721   6.721
   36   1H5*    G   4          1H5*        G   4  -5.393   8.217   8.217
   37   2H5*    G   4          2H5*        G   4  -6.025   7.500   7.500
   38    H4*    G   4           H4*        G   4  -3.677   7.026   7.026
   39    H3*    G   4           H3*        G   4  -5.591   4.858   4.858
   40   1H2*    G   4          1H2*        G   4  -4.850   3.986   3.986
   41   2H2*    G   4          2H2*        G   4  -3.616   3.254   3.254
   42    H1*    G   4           H1*        G   4  -2.076   5.099   5.099
   43    H8     G   4           H8         G   4  -4.694   4.232   4.232
   44    H1     G   4           H1         G   4   1.304   4.696   4.696
   45   1H2     G   4          1H2         G   4   2.714   5.146   5.146
   46   2H2     G   4          2H2         G   4   2.064   5.393   5.393
   47   1H5*    G   5          1H5*        G   5  -1.125   4.882   4.882
   48   2H5*    G   5          2H5*        G   5  -0.959   4.120   4.120
   49    H4*    G   5           H4*        G   5   1.121   3.868   3.868
   50    H3*    G   5           H3*        G   5  -0.385   1.533   1.533
   51   1H2*    G   5          1H2*        G   5  -0.670   0.796   0.796
   52   2H2*    G   5          2H2*        G   5   0.986   0.208   0.208
   53    H1*    G   5           H1*        G   5   1.919   2.098   2.098
   54    H8     G   5           H8         G   5  -1.841   2.025   2.025
   55    H1     G   5           H1         G   5   1.799   1.451   1.451
   56   1H2     G   5          1H2         G   5   4.007   1.458   1.458
   57   2H2     G   5          2H2         G   5   4.435   1.587   1.587
   58   1H5*    C   6          1H5*        C   6   4.201   1.272   1.272
   59   2H5*    C   6          2H5*        C   6   4.982   0.054   0.054
   60    H4*    C   6           H4*        C   6   5.867   0.049   0.049
   61    H3*    C   6           H3*        C   6   4.842  -2.290  -2.290
   62   1H2*    C   6          1H2*        C   6   3.455  -2.975  -2.975
   63   2H2*    C   6          2H2*        C   6   4.882  -3.454  -3.454
   64    H1*    C   6           H1*        C   6   5.031  -1.415  -1.415
   65   1H4     C   6          1H4         C   6  -0.746  -1.818  -1.818
   66   2H4     C   6          2H4         C   6  -1.569  -1.569  -1.569
   67    H5     C   6           H5         C   6  -0.415  -1.610  -1.610
   68    H6     C   6           H6         C   6   1.790  -1.473  -1.473
   69   1H5*    C   7          1H5*        C   7   7.206  -2.541  -2.541
   70   2H5*    C   7          2H5*        C   7   8.707  -3.393  -3.393
   71    H4*    C   7           H4*        C   7   7.989  -3.996  -3.996
   72    H3*    C   7           H3*        C   7   7.820  -6.170  -6.170
   73   1H2*    C   7          1H2*        C   7   5.733  -6.759  -6.759
   74   2H2*    C   7          2H2*        C   7   6.321  -7.373  -7.373
   75    H1*    C   7           H1*        C   7   5.928  -5.489  -5.489
   76   1H4     C   7          1H4         C   7  -0.500  -4.712  -4.712
   77   2H4     C   7          2H4         C   7  -0.327  -4.794  -4.794
   78    H5     C   7           H5         C   7   1.814  -5.139  -5.139
   79    H6     C   7           H6         C   7   4.199  -5.449  -5.449
   80   1H5*    A   8          1H5*        A   8   7.649  -6.652  -6.652
   81   2H5*    A   8          2H5*        A   8   9.069  -7.497  -7.497
   82    H4*    A   8           H4*        A   8   7.424  -8.083  -8.083
   83    H3*    A   8           H3*        A   8   8.148 -10.267 -10.267
   84   1H2*    A   8          1H2*        A   8   6.079 -10.545 -10.545
   85   2H2*    A   8          2H2*        A   8   5.702 -11.355 -11.355
   86    H1*    A   8           H1*        A   8   4.747  -9.391  -9.391
   87    H8     A   8           H8         A   8   4.967  -9.292  -9.292
   88   1H6     A   8          1H6         A   8  -0.827  -7.335  -7.335
   89   2H6     A   8          2H6         A   8   0.569  -7.901  -7.901
   90    H2     A   8           H2         A   8   0.307  -8.088  -8.088
   91   1H5*    T   9          1H5*        T   9   5.885 -10.610 -10.610
   92   2H5*    T   9          2H5*        T   9   6.099 -12.077 -12.077
   93    H4*    T   9           H4*        T   9   3.765 -11.205 -11.205
   94    H3*    T   9           H3*        T   9   4.544 -13.951 -13.951
   95   1H2*    T   9          1H2*        T   9   3.069 -14.096 -14.096
   96   2H2*    T   9          2H2*        T   9   1.728 -13.966 -13.966
   97    H1*    T   9           H1*        T   9   1.597 -11.626 -11.626
   98    H3     T   9           H3         T   9  -0.498 -11.116 -11.116
   99   1H5M    T   9          1H5M        T   9   4.630 -12.829 -12.829
  100   2H5M    T   9          2H5M        T   9   3.870 -11.681 -11.681
  101   3H5M    T   9          3H5M        T   9   3.345 -13.371 -13.371
  102    H6     T   9           H6         T   9   3.853 -12.656 -12.656
  103   1H5*    G  10          1H5*        G  10   0.263 -14.308 -14.308
  104   2H5*    G  10          2H5*        G  10   0.371 -15.928 -15.928
  105    H4*    G  10           H4*        G  10  -1.524 -16.020 -16.020
  106    H3*    G  10           H3*        G  10   0.834 -17.236 -17.236
  107   1H2*    G  10          1H2*        G  10  -0.237 -17.011 -17.011
  108   2H2*    G  10          2H2*        G  10  -1.703 -17.772 -17.772
  109    H1*    G  10           H1*        G  10  -2.644 -15.783 -15.783
  110    H8     G  10           H8         G  10   0.289 -14.986 -14.986
  111    H1     G  10           H1         G  10  -5.460 -12.932 -12.932
  112   1H2     G  10          1H2         G  10  -7.020 -13.365 -13.365
  113   2H2     G  10          2H2         G  10  -6.493 -14.174 -14.174
  114    H3T    G  10           H3T        G  10  -0.550 -19.169 -19.169
  115   1H5*    C  11          1H5*        C  11  -4.389  -6.720  -6.720
  116   2H5*    C  11          2H5*        C  11  -5.646  -6.125  -6.125
  117    H4*    C  11           H4*        C  11  -7.277  -7.634  -7.634
  118    H3*    C  11           H3*        C  11  -6.481  -7.497  -7.497
  119   1H2*    C  11          1H2*        C  11  -4.285  -8.475  -8.475
  120   2H2*    C  11          2H2*        C  11  -5.207  -9.868  -9.868
  121    H1*    C  11           H1*        C  11  -5.961 -10.602 -10.602
  122   1H4     C  11          1H4         C  11  -0.172 -12.946 -12.946
  123   2H4     C  11          2H4         C  11   0.457 -11.393 -11.393
  124    H5     C  11           H5         C  11  -0.928  -9.324  -9.324
  125    H6     C  11           H6         C  11  -3.092  -8.482  -8.482
  126   1H5*    A  12          1H5*        A  12  -9.334 -10.342 -10.342
  127   2H5*    A  12          2H5*        A  12 -10.714  -9.286  -9.286
  128    H4*    A  12           H4*        A  12  -9.754  -9.876  -9.876
  129    H3*    A  12           H3*        A  12  -9.662  -7.106  -7.106
  130   1H2*    A  12          1H2*        A  12  -7.395  -6.983  -6.983
  131   2H2*    A  12          2H2*        A  12  -7.570  -6.823  -6.823
  132    H1*    A  12           H1*        A  12  -7.150  -9.169  -9.169
  133    H8     A  12           H8         A  12  -5.966  -7.960  -7.960
  134   1H6     A  12          1H6         A  12  -0.572 -10.624 -10.624
  135   2H6     A  12          2H6         A  12  -1.622  -9.772  -9.772
  136    H2     A  12           H2         A  12  -2.979 -10.760 -10.760
  137   1H5*    T  13          1H5*        T  13  -9.071  -8.759  -8.759
  138   2H5*    T  13          2H5*        T  13  -9.756  -7.793  -7.793
  139    H4*    T  13           H4*        T  13  -7.582  -8.884  -8.884
  140    H3*    T  13           H3*        T  13  -8.138  -6.033  -6.033
  141   1H2*    T  13          1H2*        T  13  -6.268  -5.373  -5.373
  142   2H2*    T  13          2H2*        T  13  -5.346  -5.931  -5.931
  143    H1*    T  13           H1*        T  13  -4.936  -8.038  -8.038
  144    H3     T  13           H3         T  13  -1.558  -7.349  -7.349
  145   1H5M    T  13          1H5M        T  13  -4.840  -5.537  -5.537
  146   2H5M    T  13          2H5M        T  13  -4.371  -4.109  -4.109
  147   3H5M    T  13          3H5M        T  13  -5.998  -4.803  -4.803
  148    H6     T  13           H6         T  13  -6.141  -5.928  -5.928
  149   1H5*    G  14          1H5*        G  14  -4.649  -7.574  -7.574
  150   2H5*    G  14          2H5*        G  14  -4.814  -6.850  -6.850
  151    H4*    G  14           H4*        G  14  -2.547  -6.590  -6.590
  152    H3*    G  14           H3*        G  14  -4.163  -4.244  -4.244
  153   1H2*    G  14          1H2*        G  14  -3.854  -3.395  -3.395
  154   2H2*    G  14          2H2*        G  14  -2.334  -2.814  -2.814
  155    H1*    G  14           H1*        G  14  -1.158  -4.780  -4.780
  156    H8     G  14           H8         G  14  -4.273  -3.579  -3.579
  157    H1     G  14           H1         G  14   0.874  -4.681  -4.681
  158   1H2     G  14          1H2         G  14   2.627  -5.292  -5.292
  159   2H2     G  14          2H2         G  14   2.382  -5.492  -5.492
  160   1H5*    G  15          1H5*        G  15   0.395  -4.663  -4.663
  161   2H5*    G  15          2H5*        G  15   1.059  -3.976  -3.976
  162    H4*    G  15           H4*        G  15   2.776  -3.895  -3.895
  163    H3*    G  15           H3*        G  15   1.744  -1.425  -1.425
  164   1H2*    G  15          1H2*        G  15   1.015  -0.644  -0.644
  165   2H2*    G  15          2H2*        G  15   2.716  -0.243  -0.243
  166    H1*    G  15           H1*        G  15   3.149  -2.207  -2.207
  167    H8     G  15           H8         G  15  -0.643  -1.733  -1.733
  168    H1     G  15           H1         G  15   1.603  -1.507  -1.507
  169   1H2     G  15          1H2         G  15   3.898  -1.762  -1.762
  170   2H2     G  15          2H2         G  15   4.708  -1.962  -1.962
  171   1H5*    C  16          1H5*        C  16   5.915  -1.668  -1.668
  172   2H5*    C  16          2H5*        C  16   7.048  -0.555  -0.555
  173    H4*    C  16           H4*        C  16   7.346  -0.581  -0.581
  174    H3*    C  16           H3*        C  16   6.905   1.824   1.824
  175   1H2*    C  16          1H2*        C  16   5.226   2.657   2.657
  176   2H2*    C  16          2H2*        C  16   6.433   2.986   2.986
  177    H1*    C  16           H1*        C  16   6.102   0.970   0.970
  178   1H4     C  16          1H4         C  16  -0.159   1.997   1.997
  179   2H4     C  16          2H4         C  16  -0.602   1.793   1.793
  180    H5     C  16           H5         C  16   1.040   1.738   1.738
  181    H6     C  16           H6         C  16   3.403   1.373   1.373
  182   1H5*    C  17          1H5*        C  17   8.321   1.903   1.903
  183   2H5*    C  17          2H5*        C  17   9.905   2.612   2.612
  184    H4*    C  17           H4*        C  17   8.780   3.273   3.273
  185    H3*    C  17           H3*        C  17   9.292   5.442   5.442
  186   1H2*    C  17          1H2*        C  17   7.205   6.216   6.216
  187   2H2*    C  17          2H2*        C  17   7.472   6.811   6.811
  188    H1*    C  17           H1*        C  17   6.621   4.993   4.993
  189   1H4     C  17          1H4         C  17   0.526   4.844   4.844
  190   2H4     C  17          2H4         C  17   1.138   4.836   4.836
  191    H5     C  17           H5         C  17   3.486   4.920   4.920
  192    H6     C  17           H6         C  17   5.744   5.012   5.012
  193   1H5*    A  18          1H5*        A  18   8.068   6.035   6.035
  194   2H5*    A  18          2H5*        A  18   9.349   6.721   6.721
  195    H4*    A  18           H4*        A  18   7.421   7.523   7.523
  196    H3*    A  18           H3*        A  18   8.740   9.623   9.623
  197   1H2*    A  18          1H2*        A  18   7.010   9.998   9.998
  198   2H2*    A  18          2H2*        A  18   6.316  10.891  10.891
  199    H1*    A  18           H1*        A  18   4.998   9.020   9.020
  200    H8     A  18           H8         A  18   6.146   8.822   8.822
  201   1H6     A  18          1H6         A  18   0.345   7.472   7.472
  202   2H6     A  18          2H6         A  18   1.963   7.869   7.869
  203    H2     A  18           H2         A  18   0.508   8.152   8.152
  204   1H5*    T  19          1H5*        T  19   5.611  10.183  10.183
  205   2H5*    T  19          2H5*        T  19   5.682  11.630  11.630
  206    H4*    T  19           H4*        T  19   3.404  10.949  10.949
  207    H3*    T  19           H3*        T  19   4.557  13.617  13.617
  208   1H2*    T  19          1H2*        T  19   3.659  13.844  13.844
  209   2H2*    T  19          2H2*        T  19   2.046  13.902  13.902
  210    H1*    T  19           H1*        T  19   1.728  11.573  11.573
  211    H3     T  19           H3         T  19   0.659  11.106  11.106
  212   1H5M    T  19          1H5M        T  19   5.983  11.681  11.681
  213   2H5M    T  19          2H5M        T  19   5.140  11.696  11.696
  214   3H5M    T  19          3H5M        T  19   5.355  13.207  13.207
  215    H6     T  19           H6         T  19   4.666  12.305  12.305
  216   1H5*    G  20          1H5*        G  20  -0.028  14.476  14.476
  217   2H5*    G  20          2H5*        G  20   0.059  16.090  16.090
  218    H4*    G  20           H4*        G  20  -1.315  16.342  16.342
  219    H3*    G  20           H3*        G  20   1.494  17.277  17.277
  220   1H2*    G  20          1H2*        G  20   1.062  17.140  17.140
  221   2H2*    G  20          2H2*        G  20  -0.456  18.035  18.035
  222    H1*    G  20           H1*        G  20  -1.750  16.151  16.151
  223    H8     G  20           H8         G  20   1.703  15.078  15.078
  224    H1     G  20           H1         G  20  -3.278  13.447  13.447
  225   1H2     G  20          1H2         G  20  -5.243  13.926  13.926
  226   2H2     G  20          2H2         G  20  -5.145  14.689  14.689