*HEADER   DNA DUPLEX                              30-OCT-97   1AX7    
*TITLE    SOLUTION STRUCTURE OF THE [AF]-C8-DG ADDUCT POSITIONED AT A 
*TITLE   2 TEMPLATE-PRIMER JUNCTION, NMR, 6 STRUCTURES                
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: DNA DUPLEX D(AAC-[AF]G-CTACCATCC)D(GGATGGTAG);   
*COMPND  3 CHAIN: A, B;                                               
*COMPND  4 ENGINEERED: YES;                                           
*COMPND  5 OTHER_DETAILS: N ATOM OF AF-GROUP LINKED TO C8 ATOM OF DG4 
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES                                             
*KEYWDS   DNA DUPLEX, AMINOFLUORENE ADDUCT, CARCINOGEN ADDUCT,        
*KEYWDS  2 TEMPLATE-PRIMER JUNCTION                                   
*EXPDTA   NMR, 6 STRUCTURES                                           
*AUTHOR   B.MAO,Z.GU,A.A.GORIN,B.E.HINGERTY,S.BROYDE,D.J.PATEL        
*REVDAT  1   01-JUL-98 1AX7    0                                      
 
set echo=false end
assi (resi   1 and name h1'  )
     (resi   1 and name h2'' )  2.63  0.53  0.53 !   65 -^-  0.50 
assi (resi   1 and name h8   )
     (resi   1 and name h1'  )  2.93  0.59  0.59 !   21 -^-  0.46 
assi (resi   1 and name h8   )
     (resi   1 and name h3'  )  4.89  0.98  0.98 !   22 -v>  1.97 
assi (resi   1 and name h8   )
     (resi   1 and name h2'  )  3.41  0.68  0.68 !   56 -^-  0.55 
assi (resi   1 and name h1'  )
     (resi   1 and name h3'  )  3.83  0.77  0.77 !   36 -^-  0.93 
assi (resi   1 and name h1'  )
     (resi   1 and name h2'  )  3.07  0.61  0.61 !   64 -^-  0.96 
assi (resi   2 and name h8   )
     (resi   1 and name h1'  )  5.33  1.07  1.07 !   87 -^-  0.68 
assi (resi   2 and name h8   )
     (resi   1 and name h2'' )  3.35  0.67  0.67 !   50 -^-  0.42 
assi (resi   2 and name h8   )
     (resi   1 and name h3'  )  4.04  0.81  0.81 !   29 -v-  0.56 
assi (resi   2 and name h8   )
     (resi   1 and name h2'  )  3.86  0.77  0.77 !   49 -^-  0.52 
assi (resi   2 and name h2   )
     (resi   2 and name h1'  )  4.17  0.83  0.83 !   19 -^-  1.15 
assi (resi   2 and name h8   )
     (resi   2 and name h3'  )  3.67  0.73  0.73 !   23 -v-  0.55 
assi (resi   2 and name h1'  )
     (resi   2 and name h2'  )  2.79  0.56  0.56 !   67 -^-  0.58 
assi (resi   2 and name h1'  )
     (resi   2 and name h2'' )  2.49  0.50  0.50 !   66 P--  0.49 
assi (resi   2 and name h8   )
     (resi   2 and name h2'' )  3.07  0.61  0.61 !   51 -v-  0.32 
assi (resi   2 and name h8   )
     (resi   2 and name h2'  )  2.41  0.48  0.48 !   52 P--  0.56 
assi (resi   2 and name h1'  )
     (resi   2 and name h4'  )  3.54  0.71  0.71 !   37 -^-  0.80 
assi (resi   2 and name h8   )
     (resi   2 and name h1'  )  3.65  0.73  0.73 !    4 -^-  0.46 
assi (resi   3 and name h5   )
     (resi   2 and name h3'  )  3.23  0.65  0.65 !   35 -^-  0.68 
assi (resi   3 and name h8   )
     (resi   2 and name h2'' )  3.56  0.71  0.71 !   53 -^-  0.58 
assi (resi   3 and name h6   )
     (resi   2 and name h3'  )  2.96  0.59  0.59 !   25 -^-  0.46 
assi (resi   3 and name h5   )
     (resi   2 and name h2'' )  3.79  0.76  0.76 !   68 -^-  0.76 
assi (resi   2 and name h8   )
     (resi   4 and name h24  )  4.96  0.99  0.99 !   13 -vl  2.96 
assi (resi   2 and name h2   )
     (resi   4 and name h20  )  4.78  0.96  0.96 !   15 -v-  0.74 
assi (resi   4 and name h24  )
     (resi   2 and name h1'  )  3.50  0.70  0.70 !    8 -^-  0.38 
assi (resi   2 and name h8   )
     (resi   4 and name h13  )  4.32  0.86  0.86 !   12 -v-  0.71 
assi (resi   2 and name h2   )
     (resi   4 and name h17  )  4.80  0.96  0.96 !   16 -v-  0.27 
assi (resi   2 and name h8   )
     (resi   4 and name h221 )  4.04  0.81  0.81 !   44 -v-  0.87 
assi (resi   4 and name h13  )
     (resi   2 and name h2'  )  3.64  0.73  0.73 !   45 -^-  0.80 
assi (resi   4 and name h13  )
     (resi   2 and name h1'  )  3.27  0.65  0.65 !    5 -^-  0.38 
assi (resi   2 and name h2   )
     (resi   4 and name h13  )  4.74  1.43  1.43 !  107 -^-  0.65 
assi (resi   4 and name h13  )
     (resi   2 and name h2'' )  3.48  0.70  0.70 !   47 -^-  0.36 
assi (resi   3 and name h1'  )
     (resi   3 and name h3'  )  3.62  0.72  0.72 !   34 -^-  0.76 
assi (resi   3 and name h6   )
     (resi   3 and name h3'  )  4.03  0.81  0.81 !   26 -v-  0.45 
assi (resi   3 and name h1'  )
     (resi   3 and name h2'  )  2.85  0.57  0.57 !   61 -^-  0.48 
assi (resi   3 and name h8   )
     (resi   3 and name h2'  )  2.68  0.54  0.54 !   54 P--  0.55 
assi (resi   3 and name h1'  )
     (resi   3 and name h2'' )  2.21  0.44  0.44 !   62 P--  0.49 
assi (resi   4 and name h1'  )
     (resi   4 and name h2'' )  2.36  0.47  0.47 !   60 P--  0.61 
assi (resi   4 and name h13  )
     (resi   4 and name h1'  )  3.53  1.06  1.06 !    7 -^-  0.60 
assi (resi   4 and name h13  )
     (resi   4 and name h2'' )  4.16  1.24  1.24 !   46 -^-  0.76 
assi (resi   4 and name h1'  )
     (resi   4 and name h3'  )  3.48  0.70  0.70 !  157 -^-  0.57 
assi (resi   4 and name h24  )
     (resi   4 and name h1'  )  3.94  0.79  0.79 !   10 -^-  0.60 
assi (resi   4 and name h13  )
     (resi   4 and name h2'  )  4.65  1.40  1.40 !   30 -^-  1.20 
assi (resi   5 and name h5   )
     (resi   4 and name h2'' )  2.59  0.52  0.52 !   63 P--  0.54 
assi (resi   4 and name h13  )
     (resi   5 and name h4'  )  3.93  0.79  0.79 !   31 -^-  0.84 
assi (resi   5 and name h6   )
     (resi   4 and name h2'' )  2.76  0.55  0.55 !  182 P--  0.45 
assi (resi   4 and name h1'  )
     (resi   5 and name h5   )  2.78  0.56  0.56 !   18 P--  0.43 
assi (resi   4 and name h24  )
     (resi   5 and name h1'  )  3.49  1.05  1.05 !    9 -^-  0.39 
assi (resi   4 and name h13  )
     (resi   5 and name h1'  )  3.34  0.67  0.67 !    6 -^-  0.47 
assi (resi   5 and name h6   )
     (resi   4 and name h1'  )  2.84  0.85  0.85 !    3 -^-  0.44 
assi (resi   5 and name h6   )
     (resi   4 and name h3'  )  4.84  0.97  0.97 !   24 -v-  0.61 
assi (resi   5 and name h5   )
     (resi   4 and name h4'  )  5.26  1.27  1.27 !   41 -^-  1.00 
assi (resi   5 and name h6   )
     (resi   4 and name h2'  )  3.96  0.79  0.79 !   43 -^-  0.33 
assi (resi   4 and name h1'  )
     (resi   5 and name h4'  )  3.11  0.62  0.62 !   33 P--  0.69 
assi (resi   5 and name h5   )
     (resi   4 and name h2'  )  3.48  0.70  0.70 !   40 -v-  0.32 
assi (resi   4 and name h17  )
     (resi  22 and name h1'  )  5.15  1.03  1.03 !  114 -v-  1.27 
assi (resi   4 and name h19  )
     (resi  22 and name h2'  )  2.99  0.60  0.60 !  208 P--  0.57 
assi (resi   4 and name h19  )
     (resi  22 and name h2'' )  3.12  0.62  0.62 !  209 -^-  0.60 
assi (resi   4 and name h18  )
     (resi  22 and name h2'  )  3.29  0.99  0.99 !   57 -^-  0.65 
assi (resi   4 and name h20  )
     (resi  22 and name h1'  )  4.86  0.97  0.97 !   20 -^-  0.22 
assi (resi   4 and name h18  )
     (resi  22 and name h1'  )  3.35  0.67  0.67 !   17 -^-  0.24 
assi (resi  22 and name h8   )
     (resi   4 and name h19  )  4.25  0.85  0.85 !   14 -^-  0.41 
assi (resi   4 and name h18  )
     (resi  22 and name h3'  )  4.26  1.05  1.05 !   32 -v-  0.79 
assi (resi   4 and name h20  )
     (resi  22 and name h2'  )  4.16  0.83  0.83 !   48 -^-  1.07 
assi (resi   4 and name h20  )
     (resi  22 and name h2'' )  4.44  0.89  0.89 !   55 -^-  0.65 
assi (resi   4 and name h18  )
     (resi  22 and name h2'' )  3.49  0.70  0.70 !   58 -^-  0.83 
assi (resi   5 and name h6   )
     (resi   5 and name h2'  )  2.62  0.52  0.52 !  181 P--  0.41 
assi (resi   5 and name h6   )
     (resi   5 and name h4'  )  3.39  0.68  0.68 !   28 -^-  0.26 
assi (resi   5 and name h1'  )
     (resi   5 and name h2'  )  2.78  0.56  0.56 !  203 P--  0.33 
assi (resi   6 and name h1'  )
     (resi   6 and name h2'  )  2.73  0.55  0.55 !  210 -^-  0.38 
assi (resi   6 and name h1'  )
     (resi   6 and name h3'  )  3.36  0.67  0.67 !  167 -^-  0.41 
assi (resi   6 and name h6   )
     (resi   6 and name h1'  )  3.46  0.69  0.69 !   82 -^-  0.39 
assi (resi   7 and name h8   )
     (resi   6 and name h1'  )  3.63  0.73  0.73 !  112 -^-  0.55 
assi (resi   7 and name h8   )
     (resi   7 and name h3'  )  3.50  0.70  0.70 !  116 -v-  0.36 
assi (resi   7 and name h8   )
     (resi   7 and name h4'  )  4.97  0.99  0.99 !  138 -v-  0.52 
assi (resi   7 and name h8   )
     (resi   7 and name h3'  )  4.33  0.87  0.87 !  119 -v-  0.95 
assi (resi   7 and name h1'  )
     (resi   7 and name h3'  )  3.32  0.66  0.66 !  152 -^-  0.49 
assi (resi   7 and name h1'  )
     (resi   7 and name h2'' )  2.39  0.48  0.48 !  196 P--  0.57 
assi (resi   7 and name h8   )
     (resi   7 and name h1'  )  3.75  0.75  0.75 !  111 -v-  0.60 
assi (resi   7 and name h1'  )
     (resi   7 and name h2'  )  2.68  0.54  0.54 !  197 -^-  0.42 
assi (resi   7 and name h8   )
     (resi   7 and name h2'  )  3.33  0.67  0.67 !  170 -^-  0.28 
assi (resi   7 and name h8   )
     (resi   7 and name h2'' )  2.89  0.58  0.58 !  172 P--  0.43 
assi (resi   7 and name h8   )
     (resi   8 and name h6   )  4.43  0.89  0.89 !   98 -v-  0.50 
assi (resi   7 and name h8   )
     (resi   8 and name h6   )  4.60  0.92  0.92 !   97 -v-  0.94 
assi (resi   8 and name h6   )
     (resi   7 and name h2'  )  3.02  0.60  0.60 !  187 -^-  0.42 
assi (resi   7 and name h1'  )
     (resi   8 and name h5   )  4.10  0.82  0.82 !  153 -v-  0.67 
assi (resi   8 and name h6   )
     (resi   7 and name h2'' )  2.62  0.52  0.52 !  188 P--  0.62 
assi (resi   7 and name h8   )
     (resi   8 and name h5   )  3.72  0.74  0.74 !  115 -^-  0.40 
assi (resi   8 and name h6   )
     (resi   7 and name h1'  )  3.22  0.64  0.64 !   74 -^-  0.62 
assi (resi   8 and name h6   )
     (resi   7 and name h3'  )  3.99  0.80  0.80 !  132 -v-  0.36 
assi (resi   8 and name h6   )
     (resi   8 and name h3'  )  3.43  0.69  0.69 !  129 -^-  0.44 
assi (resi   8 and name h1'  )
     (resi   8 and name h3'  )  3.45  0.69  0.69 !  162 -^-  0.63 
assi (resi   8 and name h6   )
     (resi   8 and name h2'' )  2.99  0.60  0.60 !  186 -^-  0.29 
assi (resi   8 and name h6   )
     (resi   8 and name h2'  )  2.34  0.47  0.47 !  185 P--  0.72 
assi (resi   8 and name h6   )
     (resi   8 and name h1'  )  3.55  0.71  0.71 !   94 -v-  0.51 
assi (resi   8 and name h1'  )
     (resi   8 and name h3'  )  3.79  0.76  0.76 !  160 -^-  0.80 
assi (resi   8 and name h6   )
     (resi   8 and name h4'  )  3.73  0.75  0.75 !  149 -^-  0.72 
assi (resi   8 and name h6   )
     (resi   9 and name h5   )  3.60  0.72  0.72 !   78 -^-  0.24 
assi (resi   9 and name h6   )
     (resi   8 and name h1'  )  3.67  0.73  0.73 !   95 -v-  0.78 
assi (resi   9 and name h5   )
     (resi   8 and name h5   )  3.74  0.75  0.75 !  154 -^-  0.28 
assi (resi   9 and name h6   )
     (resi   8 and name h3'  )  3.87  0.77  0.77 !  128 -^-  0.57 
assi (resi   9 and name h1'  )
     (resi   9 and name h3'  )  4.11  0.82  0.82 !  165 0v>  1.11 
assi (resi   9 and name h1'  )
     (resi   9 and name h2'  )  2.88  0.58  0.58 !  211 -^-  0.25 
assi (resi  10 and name h8   )
     (resi   9 and name h3'  )  4.19  0.84  0.84 !  120 -vl  2.39 
assi (resi  10 and name h8   )
     (resi   9 and name h6   )  4.47  0.89  0.89 !   99 -^-  0.66 
assi (resi  10 and name h8   )
     (resi   9 and name h1'  )  3.45  0.69  0.69 !  113 -^-  0.20 
assi (resi  10 and name h8   )
     (resi  10 and name h4'  )  4.51  0.90  0.90 !  137 -v-  0.74 
assi (resi  10 and name h1'  )
     (resi  10 and name h3'  )  3.35  0.67  0.67 !  151 -v-  0.42 
assi (resi  10 and name h8   )
     (resi  10 and name h2'' )  2.95  0.59  0.59 !  171 -^-  0.43 
assi (resi  10 and name h8   )
     (resi  10 and name h2'  )  3.18  0.64  0.64 !  169 -^-  0.27 
assi (resi  10 and name h8   )
     (resi  10 and name h1'  )  3.70  0.74  0.74 !  110 -v-  0.36 
assi (resi  10 and name h8   )
     (resi  10 and name h3'  )  3.60  0.72  0.72 !  118 -v-  0.28 
assi (resi  11 and name h6   )
     (resi  10 and name h3'  )  3.91  0.78  0.78 !  133 -v-  0.62 
assi (resi  11 and name h6   )
     (resi  10 and name h2'' )  2.57  0.51  0.51 !  194 P--  0.52 
assi (resi  11 and name h6   )
     (resi  10 and name h1'  )  3.31  0.66  0.66 !   75 -^-  0.47 
assi (resi  10 and name h8   )
     (resi  11 and name h6   )  4.31  0.86  0.86 !   96 -v-  0.75 
assi (resi  11 and name h1'  )
     (resi  11 and name h2'  )  2.74  0.55  0.55 !  202 -^-  0.39 
assi (resi  11 and name h6   )
     (resi  11 and name h3'  )  3.07  0.61  0.61 !  134 -^-  0.41 
assi (resi  11 and name h1'  )
     (resi  11 and name h3'  )  3.27  0.65  0.65 !  159 -^-  0.62 
assi (resi  11 and name h6   )
     (resi  11 and name h4'  )  3.80  0.76  0.76 !  148 -^-  0.42 
assi (resi  11 and name h6   )
     (resi  11 and name h1'  )  3.47  0.69  0.69 !   90 -v-  0.31 
assi (resi  12 and name h6   )
     (resi  11 and name h2'  )  2.92  0.58  0.58 !  183 P--  0.40 
assi (resi  12 and name h6   )
     (resi  11 and name h6   )  3.99  0.80  0.80 !  106 -v-  0.69 
assi (resi  12 and name h6   )
     (resi  11 and name h1'  )  3.30  0.66  0.66 !   92 -^-  0.44 
assi (resi  12 and name h1'  )
     (resi  12 and name h3'  )  3.44  0.69  0.69 !  158 -^-  0.55 
assi (resi  12 and name h6   )
     (resi  12 and name h1'  )  3.44  0.69  0.69 !   91 -v-  0.57 
assi (resi  12 and name h6   )
     (resi  12 and name h2'  )  2.31  0.46  0.46 !  184 P--  0.50 
assi (resi  13 and name h6   )
     (resi  12 and name h3'  )  3.62  0.72  0.72 !  125 -^-  0.47 
assi (resi  13 and name h6   )
     (resi  13 and name h1'  )  3.31  0.66  0.66 !   73 -^-  0.51 
assi (resi  13 and name h6   )
     (resi  13 and name h3'  )  2.86  0.57  0.57 !  143 -^-  0.44 
assi (resi  14 and name h8   )
     (resi  14 and name h2'  )  2.57  0.51  0.51 !  180 -^-  0.59 
assi (resi  15 and name h1'  )
     (resi  15 and name h2'' )  2.37  0.47  0.47 !  201 P--  0.50 
assi (resi  15 and name h8   )
     (resi  15 and name h3'  )  3.90  0.78  0.78 !  124 -v-  0.61 
assi (resi  15 and name h1'  )
     (resi  15 and name h3'  )  3.20  0.64  0.64 !  155 -v-  0.42 
assi (resi  15 and name h8   )
     (resi  15 and name h4'  )  4.90  0.98  0.98 !  141 -v-  0.54 
assi (resi  15 and name h8   )
     (resi  15 and name h2'' )  3.00  0.60  0.60 !  179 -v-  0.34 
assi (resi  16 and name h8   )
     (resi  15 and name h1'  )  3.09  0.62  0.62 !  108 -^-  0.58 
assi (resi  16 and name h8   )
     (resi  15 and name h8   )  4.95  0.99  0.99 !  100 -v-  0.54 
assi (resi  16 and name h8   )
     (resi  15 and name h2'' )  2.74  0.55  0.55 !  173 P--  0.42 
assi (resi  16 and name h8   )
     (resi  16 and name h4'  )  4.89  0.98  0.98 !  139 -v-  0.29 
assi (resi  16 and name h8   )
     (resi  16 and name h1'  )  3.81  0.76  0.76 !  109 -v-  0.63 
assi (resi  16 and name h8   )
     (resi  16 and name h2'' )  3.02  0.60  0.60 !  174 -v-  0.25 
assi (resi  16 and name h1'  )
     (resi  16 and name h3'  )  3.37  0.67  0.67 !  150 -v-  0.48 
assi (resi  16 and name h8   )
     (resi  16 and name h3'  )  3.57  0.71  0.71 !  117 -v-  0.36 
assi (resi  17 and name h6   )
     (resi  16 and name h2'' )  2.60  0.52  0.52 !  193 P--  0.56 
assi (resi  16 and name h8   )
     (resi  17 and name h6   )  4.73  0.95  0.95 !  101 -v-  0.40 
assi (resi  17 and name h6   )
     (resi  16 and name h1'  )  3.37  0.67  0.67 !   76 -^-  0.30 
assi (resi  17 and name h6   )
     (resi  16 and name h3'  )  4.02  0.80  0.80 !  131 -v-  0.74 
assi (resi  17 and name h6   )
     (resi  16 and name h2'  )  2.88  0.58  0.58 !  192 P--  0.36 
assi (resi  17 and name h6   )
     (resi  17 and name h1'  )  3.48  0.70  0.70 !   77 -^-  0.64 
assi (resi  17 and name h6   )
     (resi  17 and name h2'' )  2.92  0.58  0.58 !  191 -^-  0.35 
assi (resi  17 and name h1'  )
     (resi  17 and name h2'  )  2.78  0.56  0.56 !  205 P--  0.34 
assi (resi  17 and name h1'  )
     (resi  17 and name h3'  )  3.34  0.67  0.67 !  161 -^-  0.47 
assi (resi  17 and name h6   )
     (resi  17 and name h3'  )  3.34  0.67  0.67 !  130 -^-  0.42 
assi (resi  17 and name h6   )
     (resi  17 and name h2'  )  2.26  0.45  0.45 !  195 P--  0.68 
assi (resi  18 and name h8   )
     (resi  17 and name h6   )  4.39  0.88  0.88 !  104 -^-  0.58 
assi (resi  18 and name h8   )
     (resi  17 and name h1'  )  3.84  0.77  0.77 !   81 -^-  0.66 
assi (resi  18 and name h8   )
     (resi  18 and name h4'  )  4.31  0.86  0.86 !  146 -^-  0.88 
assi (resi  18 and name h1'  )
     (resi  18 and name h3'  )  3.39  0.68  0.68 !  168 -v-  0.44 
assi (resi  19 and name h8   )
     (resi  18 and name h3'  )  4.26  0.85  0.85 !  126 -^-  0.60 
assi (resi  19 and name h8   )
     (resi  19 and name h4'  )  4.36  0.87  0.87 !  145 -v-  0.47 
assi (resi  19 and name h1'  )
     (resi  19 and name h2'' )  2.31  0.46  0.46 !  200 P--  0.58 
assi (resi  19 and name h8   )
     (resi  19 and name h1'  )  3.71  0.74  0.74 !   89 -^-  0.32 
assi (resi  19 and name h8   )
     (resi  20 and name h6   )  4.49  0.90  0.90 !  105 -v-  0.69 
assi (resi  20 and name h6   )
     (resi  19 and name h1'  )  3.28  0.66  0.66 !   86 -^-  0.27 
assi (resi  20 and name h6   )
     (resi  19 and name h3'  )  3.68  0.74  0.74 !  136 -^-  0.63 
assi (resi  20 and name h1'  )
     (resi  20 and name h2'  )  2.80  0.56  0.56 !  204 -^-  0.53 
assi (resi  20 and name h6   )
     (resi  20 and name h3'  )  3.34  0.67  0.67 !  135 -^-  0.60 
assi (resi  20 and name h6   )
     (resi  20 and name h1'  )  3.36  0.67  0.67 !   85 -^-  0.44 
assi (resi  20 and name h1'  )
     (resi  20 and name h3'  )  3.64  0.73  0.73 !  166 -v-  0.58 
assi (resi  21 and name h8   )
     (resi  20 and name h3'  )  4.33  0.87  0.87 !  122 -^>  1.08 
assi (resi  21 and name h8   )
     (resi  20 and name h6   )  5.11  1.02  1.02 !  102 -v-  0.99 
assi (resi  21 and name h8   )
     (resi  20 and name h2'  )  3.49  0.70  0.70 !  178 -^-  0.57 
assi (resi  21 and name h8   )
     (resi  20 and name h1'  )  3.92  0.78  0.78 !   70 -^-  0.53 
assi (resi  21 and name h8   )
     (resi  20 and name h2'' )  3.20  0.64  0.64 !  177 P--  0.36 
assi (resi  21 and name h1'  )
     (resi  21 and name h2'  )  2.57  0.51  0.51 !  199 -^-  0.58 
assi (resi  21 and name h1'  )
     (resi  21 and name h3'  )  3.41  0.68  0.68 !  156 -v-  0.54 
assi (resi  21 and name h8   )
     (resi  21 and name h4'  )  4.96  0.99  0.99 !  140 -v-  0.45 
assi (resi  21 and name h8   )
     (resi  21 and name h3'  )  3.83  0.77  0.77 !  121 -v-  0.55 
assi (resi  21 and name h8   )
     (resi  21 and name h1'  )  3.79  0.76  0.76 !   71 -v-  0.38 
assi (resi  21 and name h8   )
     (resi  21 and name h2'  )  2.41  0.48  0.48 !  176 P--  0.58 
assi (resi  21 and name h8   )
     (resi  21 and name h2'' )  3.09  0.62  0.62 !  175 -v-  0.47 
assi (resi  21 and name h1'  )
     (resi  21 and name h2'' )  2.42  0.48  0.48 !  198 P--  0.55 
assi (resi  21 and name h8   )
     (resi  22 and name h8   )  4.53  0.91  0.91 !  103 -^-  0.74 
assi (resi  22 and name h8   )
     (resi  21 and name h1'  )  3.57  0.71  0.71 !   84 -^-  0.62 
assi (resi  22 and name h8   )
     (resi  21 and name h2'  )  3.33  0.67  0.67 !  190 P--  0.40 
assi (resi  22 and name h8   )
     (resi  21 and name h2'' )  3.06  0.61  0.61 !  189 -^-  0.62 
assi (resi  22 and name h8   )
     (resi  21 and name h3'  )  4.61  0.92  0.92 !  127 -v-  0.43 
assi (resi  22 and name h8   )
     (resi  22 and name h1'  )  3.60  0.72  0.72 !   83 -^>  1.13 
assi (resi  22 and name h1'  )
     (resi  22 and name h3'  )  3.41  0.68  0.68 !  163 -^-  0.82 
set echo=true end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    A   1          1H5*        A   1  -1.583  12.429   8.871
    2   2H5*    A   1          2H5*        A   1   0.154  12.653   9.191
    3    H4*    A   1           H4*        A   1  -0.097  11.693  11.413
    4    H3*    A   1           H3*        A   1   0.039   9.912   9.422
    5   1H2*    A   1          1H2*        A   1  -2.365  10.397   8.980
    6   2H2*    A   1          2H2*        A   1  -2.364   8.701   9.585
    7    H1*    A   1           H1*        A   1  -3.090   9.803  11.967
    8    H8     A   1           H8         A   1  -4.134  12.711  11.286
    9   1H6     A   1          1H6         A   1  -9.138  10.857   8.096
   10   2H6     A   1          2H6         A   1  -8.421  12.202   8.972
   11    H2     A   1           H2         A   1  -6.339   7.428   8.470
   12    H5T    A   1           H5T        A   1  -2.010  13.798  10.630
   13   1H5*    A   2          1H5*        A   2   2.686   9.150   9.526
   14   2H5*    A   2          2H5*        A   2   3.526   7.605   9.783
   15    H4*    A   2           H4*        A   2   3.025   7.975   7.554
   16    H3*    A   2           H3*        A   2   0.253   8.209   8.589
   17   1H2*    A   2          1H2*        A   2  -0.333   7.267   5.958
   18   2H2*    A   2          2H2*        A   2   1.415   7.435   5.889
   19    H1*    A   2           H1*        A   2   1.395   5.044   6.523
   20    H8     A   2           H8         A   2  -1.992   6.155   7.254
   21   1H6     A   2          1H6         A   2  -2.553   0.220   8.990
   22   2H6     A   2          2H6         A   2  -3.439   1.690   8.614
   23    H2     A   2           H2         A   2   1.833   1.249   8.286
   24   1H5*    C   3          1H5*        C   3  -2.255  10.532   3.581
   25   2H5*    C   3          2H5*        C   3  -2.001  11.687   4.916
   26    H4*    C   3           H4*        C   3  -0.548  12.109   3.004
   27    H3*    C   3           H3*        C   3  -0.224   9.369   2.847
   28   1H2*    C   3          1H2*        C   3   1.367   9.407   4.767
   29   2H2*    C   3          2H2*        C   3   2.581   9.716   3.376
   30    H1*    C   3           H1*        C   3   2.409  11.968   3.454
   31   1H4     C   3          1H4         C   3   5.120  11.775   9.505
   32   2H4     C   3          2H4         C   3   6.247  12.542   8.394
   33    H5     C   3           H5         C   3   2.893  10.894   8.716
   34    H6     C   3           H6         C   3   1.507  10.703   6.959
   35   1H5*    G   4          1H5*        G   4  -2.982   9.636   0.650
   36   2H5*    G   4          2H5*        G   4  -2.491  10.259  -0.928
   37    H4*    G   4           H4*        G   4  -0.515   8.738  -0.847
   38    H3*    G   4           H3*        G   4  -2.907   7.833  -1.434
   39   1H2*    G   4          1H2*        G   4  -3.403   7.459   1.037
   40   2H2*    G   4          2H2*        G   4  -2.769   5.691   0.623
   41    H1*    G   4           H1*        G   4  -0.813   6.128   1.311
   42    H1     G   4           H1         G   4  -6.057   8.536   5.405
   43   1H2     G   4          1H2         G   4  -7.103   9.275   3.570
   44   2H2     G   4          2H2         G   4  -6.301   9.278   2.007
   45   1H5*    C   5          1H5*        C   5   2.025   7.104  -1.760
   46   2H5*    C   5          2H5*        C   5   0.737   6.944  -0.567
   47    H4*    C   5           H4*        C   5   2.676   6.597   0.131
   48    H3*    C   5           H3*        C   5   3.794   5.099  -1.663
   49   1H2*    C   5          1H2*        C   5   1.893   3.568  -1.583
   50   2H2*    C   5          2H2*        C   5   3.244   2.550  -0.894
   51    H1*    C   5           H1*        C   5   2.216   2.934   1.376
   52   1H4     C   5          1H4         C   5  -3.798   1.110  -0.025
   53   2H4     C   5          2H4         C   5  -2.810  -0.216   0.619
   54    H5     C   5           H5         C   5  -2.362   3.564  -0.620
   55    H6     C   5           H6         C   5  -0.275   4.341  -0.586
   56   1H5*    T   6          1H5*        T   6   8.080   3.145  -0.473
   57   2H5*    T   6          2H5*        T   6   6.677   2.757   0.550
   58    H4*    T   6           H4*        T   6   7.320   0.934  -0.934
   59    H3*    T   6           H3*        T   6   7.605   2.817  -3.008
   60   1H2*    T   6          1H2*        T   6   5.188   2.807  -3.309
   61   2H2*    T   6          2H2*        T   6   5.642   1.489  -4.448
   62    H1*    T   6           H1*        T   6   5.602  -0.130  -2.550
   63    H3     T   6           H3         T   6   1.422  -1.732  -1.787
   64   1H5M    T   6           H51        T   6   0.750   2.308  -5.042
   65   2H5M    T   6           H52        T   6  -0.581   1.799  -3.995
   66   3H5M    T   6           H53        T   6   0.483   3.115  -3.477
   67    H6     T   6           H6         T   6   3.088   2.339  -3.669
   68   1H5*    A   7          1H5*        A   7   9.829  -1.899  -3.966
   69   2H5*    A   7          2H5*        A   7   8.501  -1.398  -2.909
   70    H4*    A   7           H4*        A   7   8.529  -3.842  -3.260
   71    H3*    A   7           H3*        A   7   9.192  -3.376  -5.926
   72   1H2*    A   7          1H2*        A   7   7.338  -2.883  -6.902
   73   2H2*    A   7          2H2*        A   7   6.782  -4.370  -6.889
   74    H1*    A   7           H1*        A   7   5.878  -4.775  -4.820
   75    H8     A   7           H8         A   7   5.377  -1.045  -6.013
   76   1H6     A   7          1H6         A   7  -0.653  -2.106  -5.168
   77   2H6     A   7          2H6         A   7   0.560  -0.996  -5.796
   78    H2     A   7           H2         A   7   1.560  -5.802  -3.959
   79   1H5*    C   8          1H5*        C   8   7.362  -7.350  -9.185
   80   2H5*    C   8          2H5*        C   8   8.462  -8.260  -8.183
   81    H4*    C   8           H4*        C   8   6.772  -9.117  -6.797
   82    H3*    C   8           H3*        C   8   6.259  -9.751  -9.272
   83   1H2*    C   8          1H2*        C   8   4.994  -7.541  -9.574
   84   2H2*    C   8          2H2*        C   8   3.646  -8.741  -9.406
   85    H1*    C   8           H1*        C   8   3.461  -8.222  -6.981
   86   1H4     C   8          1H4         C   8   3.137  -1.729  -8.725
   87   2H4     C   8          2H4         C   8   1.543  -2.212  -8.196
   88    H5     C   8           H5         C   8   4.907  -3.343  -9.003
   89    H6     C   8           H6         C   8   5.594  -5.651  -8.585
   90   1H5*    C   9          1H5*        C   9   1.392 -11.422  -7.572
   91   2H5*    C   9          2H5*        C   9   2.172  -9.851  -7.225
   92    H4*    C   9           H4*        C   9  -0.284  -9.776  -7.743
   93    H3*    C   9           H3*        C   9   0.304 -11.545  -9.816
   94   1H2*    C   9          1H2*        C   9   1.307  -9.652 -11.085
   95   2H2*    C   9          2H2*        C   9  -0.361  -9.732 -11.749
   96    H1*    C   9           H1*        C   9  -1.150  -8.110  -9.974
   97   1H4     C   9          1H4         C   9   2.462  -3.257 -12.694
   98   2H4     C   9          2H4         C   9   0.788  -2.729 -12.504
   99    H5     C   9           H5         C   9   3.203  -5.456 -11.754
  100    H6     C   9           H6         C   9   2.457  -7.496 -10.877
  101   1H5*    A  10          1H5*        A  10  -5.063 -11.152 -10.220
  102   2H5*    A  10          2H5*        A  10  -4.076  -9.748  -9.822
  103    H4*    A  10           H4*        A  10  -6.076  -9.153 -11.175
  104    H3*    A  10           H3*        A  10  -5.527 -11.333 -12.836
  105   1H2*    A  10          1H2*        A  10  -3.831 -10.654 -13.635
  106   2H2*    A  10          2H2*        A  10  -4.799  -9.966 -14.922
  107    H1*    A  10           H1*        A  10  -5.338  -7.841 -13.683
  108    H8     A  10           H8         A  10  -1.670  -8.966 -13.738
  109   1H6     A  10          1H6         A  10  -0.758  -2.936 -15.077
  110   2H6     A  10          2H6         A  10   0.101  -4.464 -14.854
  111    H2     A  10           H2         A  10  -5.025  -3.579 -14.367
  112   1H5*    T  11          1H5*        T  11 -10.571  -9.010 -14.704
  113   2H5*    T  11          2H5*        T  11  -9.229  -8.403 -13.696
  114    H4*    T  11           H4*        T  11  -9.741  -6.807 -15.620
  115    H3*    T  11           H3*        T  11  -9.431  -9.329 -17.113
  116   1H2*    T  11          1H2*        T  11  -7.629  -8.705 -18.057
  117   2H2*    T  11          2H2*        T  11  -8.496  -7.251 -18.820
  118    H1*    T  11           H1*        T  11  -8.095  -5.882 -17.121
  119    H3     T  11           H3         T  11  -3.994  -4.358 -17.500
  120   1H5M    T  11           H51        T  11  -3.161  -9.478 -17.829
  121   2H5M    T  11           H52        T  11  -1.999  -8.491 -16.907
  122   3H5M    T  11           H53        T  11  -3.230  -9.405 -16.053
  123    H6     T  11           H6         T  11  -5.783  -8.738 -16.851
  124   1H5*    C  12          1H5*        C  12 -12.113  -5.313 -19.774
  125   2H5*    C  12          2H5*        C  12 -10.890  -4.961 -18.531
  126    H4*    C  12           H4*        C  12 -10.874  -3.225 -20.248
  127    H3*    C  12           H3*        C  12 -11.471  -4.910 -22.324
  128   1H2*    C  12          1H2*        C  12  -9.654  -6.267 -21.759
  129   2H2*    C  12          2H2*        C  12  -9.142  -5.432 -23.267
  130    H1*    C  12           H1*        C  12  -8.043  -3.619 -21.972
  131   1H4     C  12          1H4         C  12  -3.432  -8.014 -20.169
  132   2H4     C  12          2H4         C  12  -2.778  -6.375 -20.136
  133    H5     C  12           H5         C  12  -5.853  -8.340 -20.489
  134    H6     C  12           H6         C  12  -7.939  -7.218 -20.988
  135   1H5*    C  13          1H5*        C  13 -10.427  -0.456 -25.413
  136   2H5*    C  13          2H5*        C  13  -9.546  -0.779 -23.899
  137    H4*    C  13           H4*        C  13  -8.161   0.463 -25.509
  138    H3*    C  13           H3*        C  13  -9.251  -1.188 -27.490
  139   1H2*    C  13          1H2*        C  13  -8.454  -3.025 -26.816
  140   2H2*    C  13          2H2*        C  13  -7.240  -2.654 -28.061
  141    H1*    C  13           H1*        C  13  -5.731  -1.603 -26.480
  142   1H4     C  13          1H4         C  13  -5.609  -7.521 -23.343
  143   2H4     C  13          2H4         C  13  -3.971  -6.922 -23.541
  144    H5     C  13           H5         C  13  -7.521  -6.201 -24.109
  145    H6     C  13           H6         C  13  -8.205  -4.022 -25.167
  146   1H5*    G  14          1H5*        G  14   7.562  -5.731 -23.935
  147   2H5*    G  14          2H5*        G  14   6.646  -6.711 -25.090
  148    H4*    G  14           H4*        G  14   6.203  -4.351 -25.515
  149    H3*    G  14           H3*        G  14   6.459  -3.608 -22.939
  150   1H2*    G  14          1H2*        G  14   4.509  -5.053 -22.300
  151   2H2*    G  14          2H2*        G  14   3.835  -3.402 -22.273
  152    H1*    G  14           H1*        G  14   3.229  -3.526 -24.648
  153    H8     G  14           H8         G  14   3.089  -7.161 -23.177
  154    H1     G  14           H1         G  14  -2.581  -4.435 -24.274
  155   1H2     G  14          1H2         G  14  -0.707  -1.610 -24.922
  156   2H2     G  14          2H2         G  14  -2.253  -2.460 -25.171
  157    H5T    G  14           H5T        G  14   4.989  -6.671 -23.333
  158   1H5*    G  15          1H5*        G  15   4.165   1.183 -24.801
  159   2H5*    G  15          2H5*        G  15   3.393  -0.181 -25.617
  160    H4*    G  15           H4*        G  15   1.788   1.636 -25.340
  161    H3*    G  15           H3*        G  15   2.928   2.512 -23.042
  162   1H2*    G  15          1H2*        G  15   2.678   0.315 -22.038
  163   2H2*    G  15          2H2*        G  15   1.458   1.337 -21.179
  164    H1*    G  15           H1*        G  15  -0.216   0.862 -22.751
  165    H8     G  15           H8         G  15   2.271  -2.089 -21.955
  166    H1     G  15           H1         G  15  -3.884  -3.256 -20.725
  167   1H2     G  15          1H2         G  15  -4.349   0.007 -21.855
  168   2H2     G  15          2H2         G  15  -5.119  -1.588 -21.587
  169   1H5*    A  16          1H5*        A  16  -1.965   4.867 -22.604
  170   2H5*    A  16          2H5*        A  16  -2.010   3.192 -23.171
  171    H4*    A  16           H4*        A  16  -4.164   3.873 -22.226
  172    H3*    A  16           H3*        A  16  -2.935   5.340 -20.257
  173   1H2*    A  16          1H2*        A  16  -2.067   3.615 -19.100
  174   2H2*    A  16          2H2*        A  16  -3.636   3.655 -18.245
  175    H1*    A  16           H1*        A  16  -4.720   2.057 -19.461
  176    H8     A  16           H8         A  16  -0.778   1.625 -19.665
  177   1H6     A  16          1H6         A  16  -1.807  -4.038 -17.387
  178   2H6     A  16          2H6         A  16  -0.596  -2.796 -17.645
  179    H2     A  16           H2         A  16  -5.765  -2.032 -17.868
  180   1H5*    T  17          1H5*        T  17  -7.857   4.470 -18.239
  181   2H5*    T  17          2H5*        T  17  -6.862   3.377 -19.224
  182    H4*    T  17           H4*        T  17  -8.049   2.209 -17.362
  183    H3*    T  17           H3*        T  17  -7.108   4.501 -15.875
  184   1H2*    T  17          1H2*        T  17  -5.239   3.499 -15.150
  185   2H2*    T  17          2H2*        T  17  -6.333   2.621 -13.975
  186    H1*    T  17           H1*        T  17  -6.745   0.846 -15.524
  187    H3     T  17           H3         T  17  -3.351  -2.010 -14.790
  188   1H5M    T  17           H51        T  17  -0.897   2.615 -15.265
  189   2H5M    T  17           H52        T  17  -0.079   1.072 -15.640
  190   3H5M    T  17           H53        T  17  -0.848   2.000 -16.928
  191    H6     T  17           H6         T  17  -3.462   2.592 -16.062
  192   1H5*    G  18          1H5*        G  18 -10.239   1.423 -12.614
  193   2H5*    G  18          2H5*        G  18  -9.218   0.880 -13.955
  194    H4*    G  18           H4*        G  18  -9.299  -0.848 -12.364
  195    H3*    G  18           H3*        G  18  -9.414   0.791 -10.217
  196   1H2*    G  18          1H2*        G  18  -7.024   1.564 -10.813
  197   2H2*    G  18          2H2*        G  18  -6.828   0.468  -9.388
  198    H1*    G  18           H1*        G  18  -6.833  -1.471 -10.960
  199    H8     G  18           H8         G  18  -4.803   1.668 -11.838
  200    H1     G  18           H1         G  18  -1.888  -4.023 -11.691
  201   1H2     G  18          1H2         G  18  -5.158  -5.082 -11.033
  202   2H2     G  18          2H2         G  18  -3.466  -5.565 -11.176
  203   1H5*    G  19          1H5*        G  19 -10.097  -4.383  -9.289
  204   2H5*    G  19          2H5*        G  19  -9.027  -3.572 -10.447
  205    H4*    G  19           H4*        G  19  -8.419  -5.963 -10.052
  206    H3*    G  19           H3*        G  19  -8.916  -5.651  -7.375
  207   1H2*    G  19          1H2*        G  19  -7.331  -3.861  -7.289
  208   2H2*    G  19          2H2*        G  19  -6.503  -5.331  -6.525
  209    H1*    G  19           H1*        G  19  -5.631  -6.056  -8.481
  210    H8     G  19           H8         G  19  -5.714  -2.222  -8.648
  211    H1     G  19           H1         G  19   0.040  -4.842  -7.721
  212   1H2     G  19          1H2         G  19  -1.890  -7.749  -7.320
  213   2H2     G  19          2H2         G  19  -0.276  -7.191  -7.754
  214   1H5*    T  20          1H5*        T  20  -6.583 -10.457  -6.324
  215   2H5*    T  20          2H5*        T  20  -5.741  -9.578  -7.622
  216    H4*    T  20           H4*        T  20  -4.176 -10.942  -6.386
  217    H3*    T  20           H3*        T  20  -5.621 -10.493  -4.034
  218   1H2*    T  20          1H2*        T  20  -5.052  -8.262  -3.895
  219   2H2*    T  20          2H2*        T  20  -3.792  -9.023  -2.866
  220    H1*    T  20           H1*        T  20  -2.166  -8.999  -4.618
  221    H3     T  20           H3         T  20  -0.640  -4.797  -4.309
  222   1H5M    T  20           H51        T  20  -5.251  -3.662  -6.061
  223   2H5M    T  20           H52        T  20  -5.894  -4.200  -4.475
  224   3H5M    T  20           H53        T  20  -4.728  -2.862  -4.592
  225    H6     T  20           H6         T  20  -5.038  -6.503  -5.153
  226   1H5*    A  21          1H5*        A  21  -1.022 -12.193  -1.718
  227   2H5*    A  21          2H5*        A  21  -0.919 -10.877  -2.897
  228    H4*    A  21           H4*        A  21   0.792 -10.711  -1.192
  229    H3*    A  21           H3*        A  21  -1.006 -11.293   0.799
  230   1H2*    A  21          1H2*        A  21  -2.035  -9.121   0.815
  231   2H2*    A  21          2H2*        A  21  -0.665  -8.846   1.928
  232    H1*    A  21           H1*        A  21   0.765  -7.971   0.313
  233    H8     A  21           H8         A  21  -3.102  -7.340  -0.466
  234   1H6     A  21          1H6         A  21  -1.415  -1.715  -2.092
  235   2H6     A  21          2H6         A  21  -2.745  -2.826  -1.769
  236    H2     A  21           H2         A  21   2.345  -3.919  -1.158
  237   1H5*    G  22          1H5*        G  22   0.414  -7.994   4.998
  238   2H5*    G  22          2H5*        G  22   1.253  -9.482   5.495
  239    H4*    G  22           H4*        G  22   3.008  -9.072   3.847
  240    H3*    G  22           H3*        G  22   3.281  -7.681   6.162
  241   1H2*    G  22          1H2*        G  22   1.503  -6.154   5.601
  242   2H2*    G  22          2H2*        G  22   3.062  -5.422   5.610
  243    H1*    G  22           H1*        G  22   3.102  -5.516   3.067
  244    H8     G  22           H8         G  22  -0.658  -6.557   3.688
  245    H1     G  22           H1         G  22   0.435  -0.860   0.968
  246   1H2     G  22          1H2         G  22   3.818  -1.885   1.305
  247   2H2     G  22          2H2         G  22   2.708  -0.544   1.007
  248   1HN    AF  23           H         AF  23   0.622   6.728   3.325
  249    H1    AF  23           H1        AF  23  -1.365   3.637   4.132
  250    H3    AF  23           H3        AF  23   2.043   5.425   3.492
  251    H4    AF  23           H4        AF  23   3.384   3.115   3.819
  252    H5    AF  23           H5        AF  23   3.761   0.080   4.296
  253    H6    AF  23           H6        AF  23   3.382  -2.338   4.841
  254    H7    AF  23           H7        AF  23   1.141  -3.116   5.294
  255    H8    AF  23           H8        AF  23  -0.719  -1.652   5.215
  256   1H9    AF  23           H9A       AF  23  -0.969   1.586   5.612
  257   2H9    AF  23           H9B       AF  23  -1.242   1.006   3.793
   
  Start of MODEL    2
    1   1H5*    A   1          1H5*        A   1  -4.133   8.568  10.939
    2   2H5*    A   1          2H5*        A   1  -5.128   8.029  12.303
    3    H4*    A   1           H4*        A   1  -2.809   7.799  12.939
    4    H3*    A   1           H3*        A   1  -1.808   7.489  10.565
    5   1H2*    A   1          1H2*        A   1  -3.626   5.746  10.200
    6   2H2*    A   1          2H2*        A   1  -2.096   4.816  10.005
    7    H1*    A   1           H1*        A   1  -2.491   4.082  12.545
    8    H8     A   1           H8         A   1  -5.359   4.307  13.674
    9   1H6     A   1          1H6         A   1  -8.119   0.570   9.518
   10   2H6     A   1          2H6         A   1  -8.390   1.396  11.046
   11    H2     A   1           H2         A   1  -4.354   2.006   7.770
   12    H5T    A   1           H5T        A   1  -5.051   5.911  11.111
   13   1H5*    A   2          1H5*        A   2   2.087   8.439   9.841
   14   2H5*    A   2          2H5*        A   2   3.139   6.989   9.724
   15    H4*    A   2           H4*        A   2   2.659   7.927   7.532
   16    H3*    A   2           H3*        A   2  -0.007   7.654   8.638
   17   1H2*    A   2          1H2*        A   2  -0.753   7.418   5.909
   18   2H2*    A   2          2H2*        A   2   0.969   7.577   5.613
   19    H1*    A   2           H1*        A   2   1.116   5.187   6.006
   20    H8     A   2           H8         A   2  -2.292   5.828   6.755
   21   1H6     A   2          1H6         A   2  -1.873  -0.071   8.892
   22   2H6     A   2          2H6         A   2  -3.044   1.203   8.615
   23    H2     A   2           H2         A   2   2.219   1.735   8.193
   24   1H5*    C   3          1H5*        C   3  -3.430  11.494   6.253
   25   2H5*    C   3          2H5*        C   3  -2.614  12.282   7.612
   26    H4*    C   3           H4*        C   3  -1.760  12.994   5.443
   27    H3*    C   3           H3*        C   3  -1.872  10.328   4.627
   28   1H2*    C   3          1H2*        C   3   0.416   9.880   5.478
   29   2H2*    C   3          2H2*        C   3   0.897  10.723   3.883
   30    H1*    C   3           H1*        C   3   1.102  12.763   4.797
   31   1H4     C   3          1H4         C   3   5.774  10.017   8.694
   32   2H4     C   3          2H4         C   3   6.576  10.924   7.419
   33    H5     C   3           H5         C   3   3.280   9.847   8.835
   34    H6     C   3           H6         C   3   1.278  10.458   7.815
   35   1H5*    G   4          1H5*        G   4  -3.502   9.761   1.140
   36   2H5*    G   4          2H5*        G   4  -3.462  10.719  -0.347
   37    H4*    G   4           H4*        G   4  -1.016  10.051  -0.609
   38    H3*    G   4           H3*        G   4  -2.793   8.621  -1.673
   39   1H2*    G   4          1H2*        G   4  -3.397   7.827   0.679
   40   2H2*    G   4          2H2*        G   4  -2.513   6.261  -0.021
   41    H1*    G   4           H1*        G   4  -0.733   6.799   0.991
   42    H1     G   4           H1         G   4  -5.990   8.492   5.443
   43   1H2     G   4          1H2         G   4  -7.129   9.443   3.711
   44   2H2     G   4          2H2         G   4  -6.248   9.851   2.242
   45   1H5*    C   5          1H5*        C   5   1.990   6.860  -2.117
   46   2H5*    C   5          2H5*        C   5   1.056   7.022  -0.615
   47    H4*    C   5           H4*        C   5   2.986   6.420  -0.285
   48    H3*    C   5           H3*        C   5   3.561   4.700  -2.254
   49   1H2*    C   5          1H2*        C   5   1.468   3.475  -1.709
   50   2H2*    C   5          2H2*        C   5   2.757   2.284  -1.236
   51    H1*    C   5           H1*        C   5   2.455   2.972   1.180
   52   1H4     C   5          1H4         C   5  -3.781   1.294   0.790
   53   2H4     C   5          2H4         C   5  -2.757  -0.033   1.325
   54    H5     C   5           H5         C   5  -2.364   3.797   0.088
   55    H6     C   5           H6         C   5  -0.240   4.477  -0.195
   56   1H5*    T   6          1H5*        T   6   7.887   3.671   1.965
   57   2H5*    T   6          2H5*        T   6   6.133   3.472   2.084
   58    H4*    T   6           H4*        T   6   7.382   1.368   2.347
   59    H3*    T   6           H3*        T   6   9.112   2.119   0.351
   60   1H2*    T   6          1H2*        T   6   7.425   1.635  -1.382
   61   2H2*    T   6          2H2*        T   6   8.346   0.097  -1.341
   62    H1*    T   6           H1*        T   6   6.995  -0.822   0.361
   63    H3     T   6           H3         T   6   3.018  -2.516  -1.050
   64   1H5M    T   6           H51        T   6   4.106   1.346  -4.447
   65   2H5M    T   6           H52        T   6   2.467   0.697  -4.238
   66   3H5M    T   6           H53        T   6   2.981   2.124  -3.313
   67    H6     T   6           H6         T   6   5.469   1.433  -2.189
   68   1H5*    A   7          1H5*        A   7   9.796  -3.264   1.318
   69   2H5*    A   7          2H5*        A   7   8.236  -2.431   1.348
   70    H4*    A   7           H4*        A   7   8.168  -4.710   0.359
   71    H3*    A   7           H3*        A   7  10.330  -3.657  -1.320
   72   1H2*    A   7          1H2*        A   7   9.279  -3.489  -3.216
   73   2H2*    A   7          2H2*        A   7   8.826  -5.007  -3.336
   74    H1*    A   7           H1*        A   7   7.025  -5.268  -1.972
   75    H8     A   7           H8         A   7   7.104  -1.674  -3.440
   76   1H6     A   7          1H6         A   7   1.494  -2.964  -5.678
   77   2H6     A   7          2H6         A   7   2.774  -1.781  -5.592
   78    H2     A   7           H2         A   7   2.943  -6.570  -3.430
   79   1H5*    C   8          1H5*        C   8  10.757  -7.978  -4.756
   80   2H5*    C   8          2H5*        C   8  11.390  -8.707  -3.310
   81    H4*    C   8           H4*        C   8   9.301  -9.586  -2.642
   82    H3*    C   8           H3*        C   8  10.146 -10.434  -4.960
   83   1H2*    C   8          1H2*        C   8   9.082  -8.443  -6.085
   84   2H2*    C   8          2H2*        C   8   7.956  -9.775  -6.565
   85    H1*    C   8           H1*        C   8   6.472  -9.206  -4.638
   86   1H4     C   8          1H4         C   8   6.140  -3.082  -7.307
   87   2H4     C   8          2H4         C   8   4.526  -3.763  -7.119
   88    H5     C   8           H5         C   8   8.041  -4.217  -6.235
   89    H6     C   8           H6         C   8   8.800  -6.425  -5.273
   90   1H5*    C   9          1H5*        C   9   5.541 -13.202  -5.883
   91   2H5*    C   9          2H5*        C   9   5.653 -11.552  -5.233
   92    H4*    C   9           H4*        C   9   3.924 -11.870  -6.989
   93    H3*    C   9           H3*        C   9   5.773 -13.238  -8.536
   94   1H2*    C   9          1H2*        C   9   6.986 -11.097  -8.851
   95   2H2*    C   9          2H2*        C   9   6.050 -11.270 -10.368
   96    H1*    C   9           H1*        C   9   4.061 -10.049  -9.219
   97   1H4     C   9          1H4         C   9   7.508  -4.444  -9.577
   98   2H4     C   9          2H4         C   9   5.802  -4.125  -9.904
   99    H5     C   9           H5         C   9   8.297  -6.719  -9.013
  100    H6     C   9           H6         C   9   7.643  -8.940  -8.675
  101   1H5*    A  10          1H5*        A  10   1.179 -13.989 -11.728
  102   2H5*    A  10          2H5*        A  10   1.256 -12.551 -10.684
  103    H4*    A  10           H4*        A  10   0.108 -12.078 -12.810
  104    H3*    A  10           H3*        A  10   1.971 -13.590 -14.115
  105   1H2*    A  10          1H2*        A  10   3.542 -12.475 -13.786
  106   2H2*    A  10          2H2*        A  10   3.289 -11.676 -15.330
  107    H1*    A  10           H1*        A  10   1.658 -10.007 -14.469
  108    H8     A  10           H8         A  10   5.058 -10.474 -12.722
  109   1H6     A  10          1H6         A  10   5.437  -4.269 -13.012
  110   2H6     A  10          2H6         A  10   6.269  -5.713 -12.473
  111    H2     A  10           H2         A  10   1.428  -5.481 -14.471
  112   1H5*    T  11          1H5*        T  11  -1.832 -11.843 -18.179
  113   2H5*    T  11          2H5*        T  11  -1.378 -11.228 -16.570
  114    H4*    T  11           H4*        T  11  -1.150  -9.441 -18.299
  115    H3*    T  11           H3*        T  11   0.602 -11.520 -19.565
  116   1H2*    T  11          1H2*        T  11   2.344 -10.293 -19.405
  117   2H2*    T  11          2H2*        T  11   1.445  -8.871 -20.214
  118    H1*    T  11           H1*        T  11   0.655  -7.979 -18.412
  119    H3     T  11           H3         T  11   4.034  -5.786 -16.654
  120   1H5M    T  11           H51        T  11   6.505  -9.759 -15.774
  121   2H5M    T  11           H52        T  11   5.163 -10.919 -15.752
  122   3H5M    T  11           H53        T  11   6.006 -10.585 -17.272
  123    H6     T  11           H6         T  11   3.229 -10.420 -17.449
  124   1H5*    C  12          1H5*        C  12  -1.234  -7.677 -23.005
  125   2H5*    C  12          2H5*        C  12  -1.151  -8.024 -21.273
  126    H4*    C  12           H4*        C  12  -1.011  -5.734 -21.380
  127    H3*    C  12           H3*        C  12  -0.013  -5.408 -23.849
  128   1H2*    C  12          1H2*        C  12   1.921  -6.850 -23.139
  129   2H2*    C  12          2H2*        C  12   2.571  -5.164 -23.369
  130    H1*    C  12           H1*        C  12   2.169  -4.713 -21.017
  131   1H4     C  12          1H4         C  12   6.691  -9.292 -19.249
  132   2H4     C  12          2H4         C  12   7.090  -7.647 -18.734
  133    H5     C  12           H5         C  12   4.748  -9.546 -20.927
  134    H6     C  12           H6         C  12   2.799  -8.298 -21.870
  135   1H5*    C  13          1H5*        C  13   1.816  -0.144 -23.068
  136   2H5*    C  13          2H5*        C  13   2.749  -0.752 -21.691
  137    H4*    C  13           H4*        C  13   4.080   0.745 -23.075
  138    H3*    C  13           H3*        C  13   3.013  -0.466 -25.362
  139   1H2*    C  13          1H2*        C  13   4.102  -2.345 -25.312
  140   2H2*    C  13          2H2*        C  13   5.390  -1.476 -26.172
  141    H1*    C  13           H1*        C  13   6.656  -1.031 -24.193
  142   1H4     C  13          1H4         C  13   6.041  -7.470 -22.533
  143   2H4     C  13          2H4         C  13   7.685  -7.033 -22.113
  144    H5     C  13           H5         C  13   4.401  -5.919 -23.153
  145    H6     C  13           H6         C  13   3.974  -3.563 -23.849
  146   1H5*    G  14          1H5*        G  14  17.696  -4.494 -16.209
  147   2H5*    G  14          2H5*        G  14  17.730  -5.533 -17.636
  148    H4*    G  14           H4*        G  14  16.938  -3.338 -18.320
  149    H3*    G  14           H3*        G  14  15.727  -2.890 -15.896
  150   1H2*    G  14          1H2*        G  14  14.132  -4.791 -16.386
  151   2H2*    G  14          2H2*        G  14  13.159  -3.292 -16.681
  152    H1*    G  14           H1*        G  14  13.907  -3.244 -18.998
  153    H8     G  14           H8         G  14  13.785  -7.017 -17.944
  154    H1     G  14           H1         G  14   9.111  -4.809 -21.752
  155   1H2     G  14          1H2         G  14  10.665  -1.806 -21.015
  156   2H2     G  14          2H2         G  14   9.551  -2.611 -22.111
  157    H5T    G  14           H5T        G  14  15.503  -6.095 -16.960
  158   1H5*    G  15          1H5*        G  15  13.910   1.336 -18.978
  159   2H5*    G  15          2H5*        G  15  13.831  -0.272 -19.719
  160    H4*    G  15           H4*        G  15  12.082   1.274 -20.639
  161    H3*    G  15           H3*        G  15  11.653   2.372 -18.193
  162   1H2*    G  15          1H2*        G  15  11.260   0.173 -17.224
  163   2H2*    G  15          2H2*        G  15   9.613   0.908 -17.297
  164    H1*    G  15           H1*        G  15   9.183   0.166 -19.461
  165    H8     G  15           H8         G  15  11.318  -2.274 -17.288
  166    H1     G  15           H1         G  15   5.841  -4.691 -19.480
  167   1H2     G  15          1H2         G  15   5.449  -1.664 -21.156
  168   2H2     G  15          2H2         G  15   4.792  -3.232 -20.700
  169   1H5*    A  16          1H5*        A  16   6.948   3.900 -20.386
  170   2H5*    A  16          2H5*        A  16   7.494   2.259 -20.790
  171    H4*    A  16           H4*        A  16   5.093   2.551 -21.115
  172    H3*    A  16           H3*        A  16   4.818   4.073 -18.827
  173   1H2*    A  16          1H2*        A  16   5.342   2.404 -17.356
  174   2H2*    A  16          2H2*        A  16   3.571   2.227 -17.345
  175    H1*    A  16           H1*        A  16   3.451   0.597 -18.973
  176    H8     A  16           H8         A  16   6.974   0.639 -17.242
  177   1H6     A  16          1H6         A  16   5.842  -5.162 -15.582
  178   2H6     A  16          2H6         A  16   6.833  -3.744 -15.349
  179    H2     A  16           H2         A  16   2.265  -3.696 -17.910
  180   1H5*    T  17          1H5*        T  17  -0.363   2.269 -19.321
  181   2H5*    T  17          2H5*        T  17   1.035   1.216 -19.660
  182    H4*    T  17           H4*        T  17  -0.656   0.098 -18.263
  183    H3*    T  17           H3*        T  17  -0.433   2.573 -16.710
  184   1H2*    T  17          1H2*        T  17   0.904   1.664 -15.119
  185   2H2*    T  17          2H2*        T  17  -0.487   0.596 -14.609
  186    H1*    T  17           H1*        T  17   0.033  -1.072 -16.139
  187    H3     T  17           H3         T  17   3.080  -3.597 -14.117
  188   1H5M    T  17           H51        T  17   4.951   1.064 -13.084
  189   2H5M    T  17           H52        T  17   6.103  -0.181 -13.582
  190   3H5M    T  17           H53        T  17   5.591   1.065 -14.744
  191    H6     T  17           H6         T  17   2.980   1.062 -15.262
  192   1H5*    G  18          1H5*        G  18  -4.279  -0.915 -15.164
  193   2H5*    G  18          2H5*        G  18  -2.717  -1.381 -15.864
  194    H4*    G  18           H4*        G  18  -3.518  -3.114 -14.366
  195    H3*    G  18           H3*        G  18  -4.581  -1.306 -12.605
  196   1H2*    G  18          1H2*        G  18  -2.236  -0.615 -12.041
  197   2H2*    G  18          2H2*        G  18  -2.752  -1.677 -10.674
  198    H1*    G  18           H1*        G  18  -1.979  -3.681 -11.970
  199    H8     G  18           H8         G  18   0.170  -0.479 -12.053
  200    H1     G  18           H1         G  18   3.169  -5.875 -10.346
  201   1H2     G  18          1H2         G  18  -0.025  -7.275 -10.861
  202   2H2     G  18          2H2         G  18   1.691  -7.615 -10.533
  203   1H5*    G  19          1H5*        G  19  -5.431  -6.202 -11.687
  204   2H5*    G  19          2H5*        G  19  -3.790  -5.694 -12.137
  205    H4*    G  19           H4*        G  19  -3.928  -8.074 -11.346
  206    H3*    G  19           H3*        G  19  -5.597  -7.211  -9.369
  207   1H2*    G  19          1H2*        G  19  -3.942  -5.735  -8.427
  208   2H2*    G  19          2H2*        G  19  -3.747  -7.285  -7.411
  209    H1*    G  19           H1*        G  19  -2.087  -8.144  -8.599
  210    H8     G  19           H8         G  19  -1.887  -4.257  -9.392
  211    H1     G  19           H1         G  19   3.356  -6.552  -6.565
  212   1H2     G  19          1H2         G  19   1.671  -9.628  -6.423
  213   2H2     G  19          2H2         G  19   3.153  -8.729  -6.156
  214   1H5*    T  20          1H5*        T  20  -4.219 -11.731  -6.391
  215   2H5*    T  20          2H5*        T  20  -3.484 -10.735  -7.671
  216    H4*    T  20           H4*        T  20  -2.102 -10.856  -5.694
  217    H3*    T  20           H3*        T  20  -4.599 -10.095  -4.272
  218   1H2*    T  20          1H2*        T  20  -3.861  -7.956  -3.939
  219   2H2*    T  20          2H2*        T  20  -2.617  -8.719  -2.843
  220    H1*    T  20           H1*        T  20  -1.024  -8.866  -4.480
  221    H3     T  20           H3         T  20   0.925  -4.985  -4.873
  222   1H5M    T  20           H51        T  20  -4.118  -3.680  -5.129
  223   2H5M    T  20           H52        T  20  -2.993  -2.763  -6.161
  224   3H5M    T  20           H53        T  20  -3.897  -4.140  -6.827
  225    H6     T  20           H6         T  20  -3.614  -6.363  -5.418
  226   1H5*    A  21          1H5*        A  21  -0.741 -12.036  -1.298
  227   2H5*    A  21          2H5*        A  21  -0.368 -10.827  -2.544
  228    H4*    A  21           H4*        A  21   1.190 -10.693  -0.659
  229    H3*    A  21           H3*        A  21  -1.007 -11.107   1.014
  230   1H2*    A  21          1H2*        A  21  -1.903  -8.901   0.897
  231   2H2*    A  21          2H2*        A  21  -0.708  -8.663   2.185
  232    H1*    A  21           H1*        A  21   1.000  -7.957   0.814
  233    H8     A  21           H8         A  21  -2.671  -6.998  -0.418
  234   1H6     A  21          1H6         A  21   0.068  -1.675  -2.070
  235   2H6     A  21          2H6         A  21  -1.513  -2.444  -1.893
  236    H2     A  21           H2         A  21   3.196  -4.385  -0.640
  237   1H5*    G  22          1H5*        G  22   2.842 -10.022   5.068
  238   2H5*    G  22          2H5*        G  22   2.940  -9.634   3.334
  239    H4*    G  22           H4*        G  22   3.871  -7.778   4.621
  240    H3*    G  22           H3*        G  22   1.065  -7.358   5.815
  241   1H2*    G  22          1H2*        G  22   1.452  -5.466   6.136
  242   2H2*    G  22          2H2*        G  22   3.223  -5.443   5.942
  243    H1*    G  22           H1*        G  22   2.913  -5.326   3.458
  244    H8     G  22           H8         G  22  -0.797  -6.477   4.084
  245    H1     G  22           H1         G  22   0.473  -0.896   1.198
  246   1H2     G  22          1H2         G  22   3.796  -1.961   1.739
  247   2H2     G  22          2H2         G  22   2.687  -0.626   1.340
  248   1HN    AF  23           H         AF  23   0.500   6.796   2.579
  249    H1    AF  23           H1        AF  23  -1.313   3.740   3.504
  250    H3    AF  23           H3        AF  23   2.013   5.676   3.153
  251    H4    AF  23           H4        AF  23   3.473   3.488   3.710
  252    H5    AF  23           H5        AF  23   3.972   0.247   4.432
  253    H6    AF  23           H6        AF  23   3.417  -2.186   5.127
  254    H7    AF  23           H7        AF  23   1.291  -2.851   5.375
  255    H8    AF  23           H8        AF  23  -0.572  -1.408   5.034
  256   1H9    AF  23           H9A       AF  23  -0.920   1.677   5.243
  257   2H9    AF  23           H9B       AF  23  -1.022   1.026   3.430
   
  Start of MODEL    3
    1   1H5*    A   1          1H5*        A   1  -3.841  10.297  10.841
    2   2H5*    A   1          2H5*        A   1  -4.968  10.016  12.186
    3    H4*    A   1           H4*        A   1  -2.778   9.166  12.760
    4    H3*    A   1           H3*        A   1  -1.997   8.456  10.383
    5   1H2*    A   1          1H2*        A   1  -4.244   7.317  10.086
    6   2H2*    A   1          2H2*        A   1  -3.063   5.965  10.010
    7    H1*    A   1           H1*        A   1  -3.649   5.547  12.571
    8    H8     A   1           H8         A   1  -6.248   6.774  13.688
    9   1H6     A   1          1H6         A   1 -10.208   3.957   9.782
   10   2H6     A   1          2H6         A   1 -10.087   4.674  11.379
   11    H2     A   1           H2         A   1  -6.156   3.854   7.996
   12    H5T    A   1           H5T        A   1  -5.485   8.001  10.918
   13   1H5*    A   2          1H5*        A   2   1.957   8.806  10.185
   14   2H5*    A   2          2H5*        A   2   2.746   7.199  10.244
   15    H4*    A   2           H4*        A   2   2.821   8.153   7.952
   16    H3*    A   2           H3*        A   2   0.035   8.247   8.638
   17   1H2*    A   2          1H2*        A   2  -0.473   7.760   5.893
   18   2H2*    A   2          2H2*        A   2   1.266   7.889   5.746
   19    H1*    A   2           H1*        A   2   1.325   5.510   6.244
   20    H8     A   2           H8         A   2  -2.140   6.379   6.833
   21   1H6     A   2          1H6         A   2  -2.437   0.456   8.641
   22   2H6     A   2          2H6         A   2  -3.377   1.906   8.309
   23    H2     A   2           H2         A   2   1.934   1.796   8.130
   24   1H5*    C   3          1H5*        C   3  -2.478  12.767   5.868
   25   2H5*    C   3          2H5*        C   3  -1.570  13.215   7.328
   26    H4*    C   3           H4*        C   3  -0.433  13.806   5.213
   27    H3*    C   3           H3*        C   3  -1.135  11.265   4.322
   28   1H2*    C   3          1H2*        C   3   0.791  10.291   5.567
   29   2H2*    C   3          2H2*        C   3   1.725  10.815   4.020
   30    H1*    C   3           H1*        C   3   2.255  12.840   4.803
   31   1H4     C   3          1H4         C   3   6.161   9.573   9.051
   32   2H4     C   3          2H4         C   3   7.118  10.357   7.800
   33    H5     C   3           H5         C   3   3.650   9.814   9.081
   34    H6     C   3           H6         C   3   1.798  10.712   7.884
   35   1H5*    G   4          1H5*        G   4  -3.193   9.560   1.463
   36   2H5*    G   4          2H5*        G   4  -2.917  10.885   0.318
   37    H4*    G   4           H4*        G   4  -0.782   9.814  -0.329
   38    H3*    G   4           H3*        G   4  -3.043   8.842  -1.214
   39   1H2*    G   4          1H2*        G   4  -3.382   7.622   0.710
   40   2H2*    G   4          2H2*        G   4  -2.436   6.149  -0.148
   41    H1*    G   4           H1*        G   4  -0.787   6.333   1.109
   42    H1     G   4           H1         G   4  -6.628   7.289   4.739
   43   1H2     G   4          1H2         G   4  -6.648   8.138   1.341
   44   2H2     G   4          2H2         G   4  -7.633   7.786   2.760
   45   1H5*    C   5          1H5*        C   5   1.316   6.959  -1.801
   46   2H5*    C   5          2H5*        C   5   0.738   7.199  -0.150
   47    H4*    C   5           H4*        C   5   2.782   5.971  -0.492
   48    H3*    C   5           H3*        C   5   0.835   3.927  -1.662
   49   1H2*    C   5          1H2*        C   5   2.009   2.260  -1.137
   50   2H2*    C   5          2H2*        C   5   3.505   3.257  -0.604
   51    H1*    C   5           H1*        C   5   2.092   3.006   1.558
   52   1H4     C   5          1H4         C   5  -4.081   1.351   0.803
   53   2H4     C   5          2H4         C   5  -3.068   0.064   1.480
   54    H5     C   5           H5         C   5  -2.596   3.694  -0.180
   55    H6     C   5           H6         C   5  -0.415   4.319  -0.384
   56   1H5*    T   6          1H5*        T   6   5.469   2.394  -3.647
   57   2H5*    T   6          2H5*        T   6   4.393   2.799  -2.326
   58    H4*    T   6           H4*        T   6   5.209   0.470  -2.209
   59    H3*    T   6           H3*        T   6   4.791   0.303  -4.971
   60   1H2*    T   6          1H2*        T   6   2.403   0.046  -4.627
   61   2H2*    T   6          2H2*        T   6   2.922  -1.664  -4.722
   62    H1*    T   6           H1*        T   6   3.362  -1.705  -2.308
   63    H3     T   6           H3         T   6  -0.689  -3.336  -1.144
   64   1H5M    T   6           H51        T   6  -2.184   0.635  -3.963
   65   2H5M    T   6           H52        T   6  -2.826   0.685  -2.309
   66   3H5M    T   6           H53        T   6  -1.464   1.728  -2.767
   67    H6     T   6           H6         T   6   0.717   0.736  -3.235
   68   1H5*    A   7          1H5*        A   7   7.727  -4.251  -3.787
   69   2H5*    A   7          2H5*        A   7   6.374  -3.756  -2.745
   70    H4*    A   7           H4*        A   7   6.685  -6.287  -2.857
   71    H3*    A   7           H3*        A   7   7.007  -5.824  -5.609
   72   1H2*    A   7          1H2*        A   7   5.004  -5.725  -6.432
   73   2H2*    A   7          2H2*        A   7   4.729  -7.220  -6.268
   74    H1*    A   7           H1*        A   7   4.061  -7.568  -4.067
   75    H8     A   7           H8         A   7   2.990  -4.063  -5.492
   76   1H6     A   7          1H6         A   7  -2.667  -5.433  -3.495
   77   2H6     A   7          2H6         A   7  -1.645  -4.208  -4.225
   78    H2     A   7           H2         A   7   0.015  -8.806  -2.335
   79   1H5*    C   8          1H5*        C   8   6.962 -11.201  -5.322
   80   2H5*    C   8          2H5*        C   8   6.199  -9.885  -4.413
   81    H4*    C   8           H4*        C   8   4.943 -11.723  -3.976
   82    H3*    C   8           H3*        C   8   5.121 -12.953  -6.416
   83   1H2*    C   8          1H2*        C   8   3.537 -11.326  -7.354
   84   2H2*    C   8          2H2*        C   8   2.355 -12.619  -6.872
   85    H1*    C   8           H1*        C   8   1.961 -11.547  -4.671
   86   1H4     C   8          1H4         C   8   0.150  -6.015  -7.935
   87   2H4     C   8          2H4         C   8  -1.200  -6.579  -6.957
   88    H5     C   8           H5         C   8   2.214  -7.140  -7.943
   89    H6     C   8           H6         C   8   3.487  -9.150  -7.057
   90   1H5*    C   9          1H5*        C   9   0.744 -15.298  -4.187
   91   2H5*    C   9          2H5*        C   9   1.105 -13.555  -4.099
   92    H4*    C   9           H4*        C   9  -1.302 -14.198  -4.549
   93    H3*    C   9           H3*        C   9  -0.264 -16.044  -6.315
   94   1H2*    C   9          1H2*        C   9   0.585 -14.231  -7.699
   95   2H2*    C   9          2H2*        C   9  -0.867 -14.809  -8.587
   96    H1*    C   9           H1*        C   9  -2.288 -13.126  -7.247
   97   1H4     C   9          1H4         C   9   0.215  -8.034 -10.634
   98   2H4     C   9          2H4         C   9  -1.420  -7.718 -10.065
   99    H5     C   9           H5         C   9   1.361 -10.235  -9.985
  100    H6     C   9           H6         C   9   1.059 -12.272  -8.768
  101   1H5*    A  10          1H5*        A  10  -5.539 -17.453  -7.046
  102   2H5*    A  10          2H5*        A  10  -5.200 -15.749  -6.673
  103    H4*    A  10           H4*        A  10  -7.200 -16.068  -8.015
  104    H3*    A  10           H3*        A  10  -5.970 -17.909  -9.581
  105   1H2*    A  10          1H2*        A  10  -4.506 -16.799 -10.209
  106   2H2*    A  10          2H2*        A  10  -5.402 -16.508 -11.706
  107    H1*    A  10           H1*        A  10  -6.688 -14.583 -10.849
  108    H8     A  10           H8         A  10  -2.840 -14.668 -10.467
  109   1H6     A  10          1H6         A  10  -3.144  -8.802 -12.513
  110   2H6     A  10          2H6         A  10  -2.051 -10.112 -12.120
  111    H2     A  10           H2         A  10  -7.291 -10.290 -11.908
  112   1H5*    T  11          1H5*        T  11 -11.101 -17.809 -12.438
  113   2H5*    T  11          2H5*        T  11 -10.388 -16.610 -11.336
  114    H4*    T  11           H4*        T  11 -10.969 -15.576 -13.597
  115    H3*    T  11           H3*        T  11  -9.274 -17.848 -14.480
  116   1H2*    T  11          1H2*        T  11  -7.813 -16.557 -15.365
  117   2H2*    T  11          2H2*        T  11  -9.088 -15.637 -16.326
  118    H1*    T  11           H1*        T  11  -9.504 -14.132 -14.824
  119    H3     T  11           H3         T  11  -6.079 -11.263 -14.989
  120   1H5M    T  11           H51        T  11  -3.935 -15.493 -12.743
  121   2H5M    T  11           H52        T  11  -3.629 -15.880 -14.449
  122   3H5M    T  11           H53        T  11  -2.915 -14.430 -13.712
  123    H6     T  11           H6         T  11  -6.400 -15.897 -13.873
  124   1H5*    C  12          1H5*        C  12 -12.755 -15.238 -17.202
  125   2H5*    C  12          2H5*        C  12 -11.590 -14.840 -15.923
  126    H4*    C  12           H4*        C  12 -12.187 -12.882 -17.322
  127    H3*    C  12           H3*        C  12 -12.277 -14.546 -19.479
  128   1H2*    C  12          1H2*        C  12 -10.010 -15.127 -19.351
  129   2H2*    C  12          2H2*        C  12 -10.055 -13.902 -20.664
  130    H1*    C  12           H1*        C  12  -9.525 -12.075 -19.162
  131   1H4     C  12          1H4         C  12  -3.897 -14.819 -16.840
  132   2H4     C  12          2H4         C  12  -3.687 -13.086 -17.116
  133    H5     C  12           H5         C  12  -5.957 -15.903 -17.654
  134    H6     C  12           H6         C  12  -8.228 -15.503 -18.377
  135   1H5*    C  13          1H5*        C  13 -12.810 -10.292 -22.409
  136   2H5*    C  13          2H5*        C  13 -11.583 -10.101 -21.149
  137    H4*    C  13           H4*        C  13 -11.187  -8.666 -23.088
  138    H3*    C  13           H3*        C  13 -11.882 -10.707 -24.760
  139   1H2*    C  13          1H2*        C  13 -10.352 -12.082 -24.161
  140   2H2*    C  13          2H2*        C  13  -9.585 -11.481 -25.651
  141    H1*    C  13           H1*        C  13  -8.251  -9.820 -24.444
  142   1H4     C  13          1H4         C  13  -6.046 -14.959 -20.740
  143   2H4     C  13          2H4         C  13  -4.622 -14.093 -21.299
  144    H5     C  13           H5         C  13  -8.249 -14.352 -21.356
  145    H6     C  13           H6         C  13  -9.641 -12.640 -22.508
  146   1H5*    G  14          1H5*        G  14   6.078  -9.808 -23.149
  147   2H5*    G  14          2H5*        G  14   5.074 -10.823 -24.194
  148    H4*    G  14           H4*        G  14   4.147  -8.583 -24.123
  149    H3*    G  14           H3*        G  14   4.622  -8.127 -21.512
  150   1H2*    G  14          1H2*        G  14   3.206  -9.981 -20.834
  151   2H2*    G  14          2H2*        G  14   2.121  -8.597 -20.566
  152    H1*    G  14           H1*        G  14   1.220  -8.715 -22.852
  153    H8     G  14           H8         G  14   2.281 -12.196 -21.331
  154    H1     G  14           H1         G  14  -3.951 -11.567 -22.601
  155   1H2     G  14          1H2         G  14  -3.142  -8.388 -23.617
  156   2H2     G  14          2H2         G  14  -4.320  -9.716 -23.630
  157    H5T    G  14           H5T        G  14   3.988 -11.525 -22.309
  158   1H5*    G  15          1H5*        G  15   0.852  -4.840 -23.509
  159   2H5*    G  15          2H5*        G  15   0.383  -6.519 -23.794
  160    H4*    G  15           H4*        G  15  -1.591  -4.918 -23.817
  161    H3*    G  15           H3*        G  15  -0.634  -3.553 -21.711
  162   1H2*    G  15          1H2*        G  15  -0.324  -5.587 -20.479
  163   2H2*    G  15          2H2*        G  15  -1.738  -4.872 -19.631
  164    H1*    G  15           H1*        G  15  -3.275  -5.896 -20.998
  165    H8     G  15           H8         G  15   0.033  -7.999 -20.284
  166    H1     G  15           H1         G  15  -5.386 -10.693 -18.261
  167   1H2     G  15          1H2         G  15  -6.862  -7.783 -19.587
  168   2H2     G  15          2H2         G  15  -7.168  -9.442 -19.007
  169   1H5*    A  16          1H5*        A  16  -5.859  -2.676 -21.498
  170   2H5*    A  16          2H5*        A  16  -5.440  -4.387 -21.712
  171    H4*    A  16           H4*        A  16  -7.756  -4.067 -20.860
  172    H3*    A  16           H3*        A  16  -6.835  -2.048 -19.202
  173   1H2*    A  16          1H2*        A  16  -5.560  -3.373 -17.862
  174   2H2*    A  16          2H2*        A  16  -7.058  -3.389 -16.921
  175    H1*    A  16           H1*        A  16  -7.888  -5.393 -17.816
  176    H8     A  16           H8         A  16  -3.931  -5.093 -18.087
  177   1H6     A  16          1H6         A  16  -3.657 -10.317 -14.864
  178   2H6     A  16          2H6         A  16  -2.769  -9.093 -15.764
  179    H2     A  16           H2         A  16  -7.989  -9.431 -15.572
  180   1H5*    T  17          1H5*        T  17 -11.497  -3.590 -16.818
  181   2H5*    T  17          2H5*        T  17 -10.280  -4.546 -17.709
  182    H4*    T  17           H4*        T  17 -11.071  -5.632 -15.636
  183    H3*    T  17           H3*        T  17 -10.625  -2.963 -14.587
  184   1H2*    T  17          1H2*        T  17  -8.582  -3.438 -13.777
  185   2H2*    T  17          2H2*        T  17  -9.486  -4.333 -12.464
  186    H1*    T  17           H1*        T  17  -9.476  -6.352 -13.712
  187    H3     T  17           H3         T  17  -5.609  -8.304 -12.630
  188   1H5M    T  17           H51        T  17  -3.889  -4.173 -15.339
  189   2H5M    T  17           H52        T  17  -4.169  -3.354 -13.786
  190   3H5M    T  17           H53        T  17  -3.008  -4.680 -13.888
  191    H6     T  17           H6         T  17  -6.664  -4.066 -14.619
  192   1H5*    G  18          1H5*        G  18 -12.998  -6.320 -11.089
  193   2H5*    G  18          2H5*        G  18 -11.680  -6.844 -12.151
  194    H4*    G  18           H4*        G  18 -11.745  -8.091 -10.030
  195    H3*    G  18           H3*        G  18 -12.258  -5.864  -8.535
  196   1H2*    G  18          1H2*        G  18 -10.031  -4.965  -9.280
  197   2H2*    G  18          2H2*        G  18  -9.814  -5.510  -7.569
  198    H1*    G  18           H1*        G  18  -9.266  -7.784  -8.389
  199    H8     G  18           H8         G  18  -7.896  -4.700 -10.244
  200    H1     G  18           H1         G  18  -3.750  -9.302  -8.660
  201   1H2     G  18          1H2         G  18  -6.641 -10.957  -7.545
  202   2H2     G  18          2H2         G  18  -4.881 -10.977  -7.785
  203   1H5*    G  19          1H5*        G  19 -12.134 -10.064  -5.308
  204   2H5*    G  19          2H5*        G  19 -11.163 -10.102  -6.801
  205    H4*    G  19           H4*        G  19 -10.427 -11.786  -5.141
  206    H3*    G  19           H3*        G  19 -10.742  -9.888  -3.085
  207   1H2*    G  19          1H2*        G  19  -9.243  -8.453  -4.122
  208   2H2*    G  19          2H2*        G  19  -8.241  -9.282  -2.819
  209    H1*    G  19           H1*        G  19  -7.482 -10.927  -4.145
  210    H8     G  19           H8         G  19  -8.057  -7.565  -6.093
  211    H1     G  19           H1         G  19  -1.920  -9.099  -5.162
  212   1H2     G  19          1H2         G  19  -3.341 -11.791  -3.386
  213   2H2     G  19          2H2         G  19  -1.875 -11.248  -4.236
  214   1H5*    T  20          1H5*        T  20  -7.997 -13.385  -0.731
  215   2H5*    T  20          2H5*        T  20  -7.490 -12.999  -2.386
  216    H4*    T  20           H4*        T  20  -5.744 -14.110  -1.124
  217    H3*    T  20           H3*        T  20  -6.645 -12.927   1.141
  218   1H2*    T  20          1H2*        T  20  -6.183 -10.781   0.522
  219   2H2*    T  20          2H2*        T  20  -4.683 -11.177   1.465
  220    H1*    T  20           H1*        T  20  -3.391 -11.641  -0.413
  221    H3     T  20           H3         T  20  -2.205  -7.617  -1.924
  222   1H5M    T  20           H51        T  20  -7.152  -7.450  -3.127
  223   2H5M    T  20           H52        T  20  -7.492  -7.321  -1.372
  224   3H5M    T  20           H53        T  20  -6.540  -6.078  -2.208
  225    H6     T  20           H6         T  20  -6.493  -9.674  -1.317
  226   1H5*    A  21          1H5*        A  21  -1.379 -13.644   2.548
  227   2H5*    A  21          2H5*        A  21  -2.281 -13.248   1.077
  228    H4*    A  21           H4*        A  21  -0.348 -11.754   1.447
  229    H3*    A  21           H3*        A  21  -1.462 -11.700   4.185
  230   1H2*    A  21          1H2*        A  21  -2.429  -9.585   3.873
  231   2H2*    A  21          2H2*        A  21  -0.726  -9.040   4.015
  232    H1*    A  21           H1*        A  21  -0.380  -9.156   1.743
  233    H8     A  21           H8         A  21  -4.170  -8.418   2.639
  234   1H6     A  21          1H6         A  21  -3.182  -3.232  -0.557
  235   2H6     A  21          2H6         A  21  -4.324  -4.155   0.397
  236    H2     A  21           H2         A  21   0.572  -5.671  -0.735
  237   1H5*    G  22          1H5*        G  22   3.554  -9.768   4.246
  238   2H5*    G  22          2H5*        G  22   2.380  -9.668   2.927
  239    H4*    G  22           H4*        G  22   3.969  -7.970   2.723
  240    H3*    G  22           H3*        G  22   4.213  -7.375   5.516
  241   1H2*    G  22          1H2*        G  22   2.151  -5.884   5.529
  242   2H2*    G  22          2H2*        G  22   3.614  -5.062   5.258
  243    H1*    G  22           H1*        G  22   3.166  -5.033   2.811
  244    H8     G  22           H8         G  22  -0.302  -6.194   4.322
  245    H1     G  22           H1         G  22  -0.024  -0.679   1.102
  246   1H2     G  22          1H2         G  22   3.329  -1.694   0.629
  247   2H2     G  22          2H2         G  22   2.198  -0.352   0.500
  248   1HN    AF  23           H         AF  23   0.510   7.146   3.315
  249    H1    AF  23           H1        AF  23  -1.204   3.812   4.005
  250    H3    AF  23           H3        AF  23   2.057   5.898   3.276
  251    H4    AF  23           H4        AF  23   3.578   3.702   3.679
  252    H5    AF  23           H5        AF  23   4.158   0.558   4.221
  253    H6    AF  23           H6        AF  23   3.835  -1.919   4.713
  254    H7    AF  23           H7        AF  23   1.740  -2.752   5.161
  255    H8    AF  23           H8        AF  23  -0.233  -1.394   5.109
  256   1H9    AF  23           H9A       AF  23  -0.686   1.862   5.522
  257   2H9    AF  23           H9B       AF  23  -0.980   1.258   3.776
   
  Start of MODEL    4
    1   1H5*    A   1          1H5*        A   1  -0.778  12.512   9.662
    2   2H5*    A   1          2H5*        A   1  -1.491  11.621   8.310
    3    H4*    A   1           H4*        A   1  -0.954  10.572  11.130
    4    H3*    A   1           H3*        A   1  -0.674   9.079   9.105
    5   1H2*    A   1          1H2*        A   1  -2.759   9.818   8.090
    6   2H2*    A   1          2H2*        A   1  -3.179   8.150   8.658
    7    H1*    A   1           H1*        A   1  -4.135   9.361  10.871
    8    H8     A   1           H8         A   1  -4.559  12.383   9.835
    9   1H6     A   1          1H6         A   1  -9.241  10.919   6.018
   10   2H6     A   1          2H6         A   1  -8.608  12.215   7.024
   11    H2     A   1           H2         A   1  -7.164   7.195   7.198
   12    H5T    A   1           H5T        A   1   0.268  10.335   8.148
   13   1H5*    A   2          1H5*        A   2   1.365   8.542   9.608
   14   2H5*    A   2          2H5*        A   2   2.298   7.031   9.639
   15    H4*    A   2           H4*        A   2   2.253   7.886   7.297
   16    H3*    A   2           H3*        A   2  -0.630   7.887   7.804
   17   1H2*    A   2          1H2*        A   2  -0.944   7.111   5.321
   18   2H2*    A   2          2H2*        A   2   0.797   7.376   5.148
   19    H1*    A   2           H1*        A   2   0.922   4.996   5.748
   20    H8     A   2           H8         A   2  -2.520   5.630   6.339
   21   1H6     A   2          1H6         A   2  -2.146  -0.227   8.667
   22   2H6     A   2          2H6         A   2  -3.352   0.831   7.970
   23    H2     A   2           H2         A   2   1.912   1.753   8.214
   24   1H5*    C   3          1H5*        C   3  -1.560  10.739   2.566
   25   2H5*    C   3          2H5*        C   3  -1.494  11.817   3.948
   26    H4*    C   3           H4*        C   3   0.195  12.303   2.257
   27    H3*    C   3           H3*        C   3   0.699   9.662   1.905
   28   1H2*    C   3          1H2*        C   3   1.748   9.519   4.146
   29   2H2*    C   3          2H2*        C   3   3.249   9.904   3.084
   30    H1*    C   3           H1*        C   3   3.151  12.135   3.409
   31   1H4     C   3          1H4         C   3   4.450  10.637   9.686
   32   2H4     C   3          2H4         C   3   5.910  11.405   9.073
   33    H5     C   3           H5         C   3   2.473  10.200   8.415
   34    H6     C   3           H6         C   3   1.419  10.465   6.406
   35   1H5*    G   4          1H5*        G   4  -2.221  11.296  -0.174
   36   2H5*    G   4          2H5*        G   4  -1.089  11.114  -1.531
   37    H4*    G   4           H4*        G   4  -0.149   9.057  -0.535
   38    H3*    G   4           H3*        G   4  -2.848   9.205  -1.546
   39   1H2*    G   4          1H2*        G   4  -3.566   8.168   0.516
   40   2H2*    G   4          2H2*        G   4  -2.789   6.543  -0.167
   41    H1*    G   4           H1*        G   4  -0.942   7.027   0.794
   42    H1     G   4           H1         G   4  -5.593   8.402   5.925
   43   1H2     G   4          1H2         G   4  -6.432  10.059   4.798
   44   2H2     G   4          2H2         G   4  -5.770  10.607   3.251
   45   1H5*    C   5          1H5*        C   5   1.224   6.818  -2.665
   46   2H5*    C   5          2H5*        C   5   0.542   7.027  -1.054
   47    H4*    C   5           H4*        C   5   2.542   6.403  -0.814
   48    H3*    C   5           H3*        C   5   2.882   4.635  -2.899
   49   1H2*    C   5          1H2*        C   5   0.781   3.520  -2.068
   50   2H2*    C   5          2H2*        C   5   2.140   2.295  -1.864
   51    H1*    C   5           H1*        C   5   2.165   2.896   0.579
   52   1H4     C   5          1H4         C   5  -4.019   1.581   1.555
   53   2H4     C   5          2H4         C   5  -2.923   0.191   1.758
   54    H5     C   5           H5         C   5  -2.673   4.052   0.489
   55    H6     C   5           H6         C   5  -0.621   4.608  -0.221
   56   1H5*    T   6          1H5*        T   6   6.899   4.592   1.171
   57   2H5*    T   6          2H5*        T   6   5.261   3.927   1.221
   58    H4*    T   6           H4*        T   6   6.816   2.575   2.550
   59    H3*    T   6           H3*        T   6   8.789   2.969   0.820
   60   1H2*    T   6          1H2*        T   6   7.603   2.026  -0.995
   61   2H2*    T   6          2H2*        T   6   8.663   0.623  -0.587
   62    H1*    T   6           H1*        T   6   7.077  -0.381   0.837
   63    H3     T   6           H3         T   6   3.672  -2.443  -1.354
   64   1H5M    T   6           H51        T   6   4.887   1.403  -4.510
   65   2H5M    T   6           H52        T   6   3.121   1.167  -4.369
   66   3H5M    T   6           H53        T   6   3.926   2.483  -3.506
   67    H6     T   6           H6         T   6   5.798   1.811  -1.964
   68   1H5*    A   7          1H5*        A   7  10.585  -1.972   2.206
   69   2H5*    A   7          2H5*        A   7   8.867  -1.481   2.127
   70    H4*    A   7           H4*        A   7   9.151  -3.595   1.106
   71    H3*    A   7           H3*        A   7  11.259  -2.170  -0.467
   72   1H2*    A   7          1H2*        A   7  10.268  -2.172  -2.390
   73   2H2*    A   7          2H2*        A   7  10.044  -3.719  -2.488
   74    H1*    A   7           H1*        A   7   8.277  -4.190  -1.091
   75    H8     A   7           H8         A   7   7.881  -0.799  -2.971
   76   1H6     A   7          1H6         A   7   3.130  -3.492  -5.768
   77   2H6     A   7          2H6         A   7   4.042  -2.022  -5.499
   78    H2     A   7           H2         A   7   4.944  -6.501  -2.900
   79   1H5*    C   8          1H5*        C   8  11.132  -7.192  -0.075
   80   2H5*    C   8          2H5*        C   8   9.603  -6.250  -0.123
   81    H4*    C   8           H4*        C   8   9.295  -8.534  -0.362
   82    H3*    C   8           H3*        C   8  11.533  -8.805  -1.818
   83   1H2*    C   8          1H2*        C   8  10.650  -7.742  -3.852
   84   2H2*    C   8          2H2*        C   8  10.146  -9.450  -4.126
   85    H1*    C   8           H1*        C   8   7.852  -9.013  -3.276
   86   1H4     C   8          1H4         C   8   7.255  -3.434  -7.037
   87   2H4     C   8          2H4         C   8   5.938  -4.580  -7.270
   88    H5     C   8           H5         C   8   8.951  -3.972  -5.254
   89    H6     C   8           H6         C   8   9.690  -5.760  -3.659
   90   1H5*    C   9          1H5*        C   9   8.683 -12.935  -3.074
   91   2H5*    C   9          2H5*        C   9   8.319 -11.213  -2.884
   92    H4*    C   9           H4*        C   9   7.007 -12.293  -4.699
   93    H3*    C   9           H3*        C   9   9.308 -13.507  -5.606
   94   1H2*    C   9          1H2*        C   9  10.023 -11.270  -6.489
   95   2H2*    C   9          2H2*        C   9   9.321 -12.051  -7.946
   96    H1*    C   9           H1*        C   9   7.011 -11.096  -7.275
   97   1H4     C   9          1H4         C   9   9.620  -5.211  -8.979
   98   2H4     C   9          2H4         C   9   8.143  -5.522  -9.880
   99    H5     C   9           H5         C   9  10.474  -6.974  -7.229
  100    H6     C   9           H6         C   9  10.029  -9.096  -6.385
  101   1H5*    A  10          1H5*        A  10   5.121 -15.599  -8.218
  102   2H5*    A  10          2H5*        A  10   5.243 -13.901  -7.706
  103    H4*    A  10           H4*        A  10   3.629 -14.296  -9.595
  104    H3*    A  10           H3*        A  10   5.408 -16.037 -10.652
  105   1H2*    A  10          1H2*        A  10   6.964 -14.768 -10.865
  106   2H2*    A  10          2H2*        A  10   6.587 -14.612 -12.535
  107    H1*    A  10           H1*        A  10   4.874 -12.832 -12.244
  108    H8     A  10           H8         A  10   8.226 -12.417 -10.368
  109   1H6     A  10          1H6         A  10   8.404  -6.926 -13.147
  110   2H6     A  10          2H6         A  10   9.265  -8.085 -12.134
  111    H2     A  10           H2         A  10   4.579  -8.913 -14.313
  112   1H5*    T  11          1H5*        T  11   1.467 -16.067 -15.118
  113   2H5*    T  11          2H5*        T  11   1.809 -14.833 -13.858
  114    H4*    T  11           H4*        T  11   2.029 -14.009 -16.198
  115    H3*    T  11           H3*        T  11   3.829 -16.390 -16.400
  116   1H2*    T  11          1H2*        T  11   5.519 -15.160 -16.721
  117   2H2*    T  11          2H2*        T  11   4.708 -14.272 -18.140
  118    H1*    T  11           H1*        T  11   3.784 -12.674 -16.950
  119    H3     T  11           H3         T  11   7.065  -9.798 -16.280
  120   1H5M    T  11           H51        T  11   9.724 -12.837 -13.922
  121   2H5M    T  11           H52        T  11   8.460 -13.806 -13.126
  122   3H5M    T  11           H53        T  11   9.156 -14.334 -14.668
  123    H6     T  11           H6         T  11   6.453 -14.327 -14.954
  124   1H5*    C  12          1H5*        C  12   1.489 -14.027 -20.168
  125   2H5*    C  12          2H5*        C  12   2.179 -13.291 -18.714
  126    H4*    C  12           H4*        C  12   1.938 -11.552 -20.356
  127    H3*    C  12           H3*        C  12   2.572 -13.063 -22.522
  128   1H2*    C  12          1H2*        C  12   4.676 -13.713 -21.458
  129   2H2*    C  12          2H2*        C  12   5.056 -12.542 -22.798
  130    H1*    C  12           H1*        C  12   5.057 -10.678 -21.229
  131   1H4     C  12          1H4         C  12   9.792 -13.143 -17.147
  132   2H4     C  12          2H4         C  12  10.129 -11.476 -17.591
  133    H5     C  12           H5         C  12   8.012 -14.354 -18.437
  134    H6     C  12           H6         C  12   6.032 -14.027 -19.873
  135   1H5*    C  13          1H5*        C  13   2.604  -8.152 -24.889
  136   2H5*    C  13          2H5*        C  13   3.120  -8.456 -23.222
  137    H4*    C  13           H4*        C  13   4.228  -6.480 -24.290
  138    H3*    C  13           H3*        C  13   4.626  -8.019 -26.539
  139   1H2*    C  13          1H2*        C  13   6.020  -9.352 -25.681
  140   2H2*    C  13          2H2*        C  13   7.244  -8.221 -26.353
  141    H1*    C  13           H1*        C  13   7.465  -7.057 -24.247
  142   1H4     C  13          1H4         C  13   8.767 -13.040 -21.558
  143   2H4     C  13          2H4         C  13  10.212 -12.031 -21.412
  144    H5     C  13           H5         C  13   6.939 -12.369 -22.885
  145    H6     C  13           H6         C  13   5.824 -10.412 -23.995
  146   1H5*    G  14          1H5*        G  14  20.873  -7.637 -19.830
  147   2H5*    G  14          2H5*        G  14  20.579  -8.720 -21.194
  148    H4*    G  14           H4*        G  14  19.412  -6.624 -21.690
  149    H3*    G  14           H3*        G  14  19.125  -6.032 -19.019
  150   1H2*    G  14          1H2*        G  14  17.592  -7.945 -18.807
  151   2H2*    G  14          2H2*        G  14  16.495  -6.550 -18.790
  152    H1*    G  14           H1*        G  14  16.353  -6.641 -21.352
  153    H8     G  14           H8         G  14  16.820 -10.166 -19.816
  154    H1     G  14           H1         G  14  10.966  -8.983 -22.126
  155   1H2     G  14          1H2         G  14  12.253  -5.791 -22.703
  156   2H2     G  14          2H2         G  14  10.913  -6.941 -22.943
  157    H5T    G  14           H5T        G  14  18.745  -9.504 -19.910
  158   1H5*    G  15          1H5*        G  15  16.101  -2.664 -21.793
  159   2H5*    G  15          2H5*        G  15  15.777  -4.345 -22.232
  160    H4*    G  15           H4*        G  15  13.819  -2.963 -22.780
  161    H3*    G  15           H3*        G  15  13.984  -1.516 -20.534
  162   1H2*    G  15          1H2*        G  15  13.995  -3.445 -19.147
  163   2H2*    G  15          2H2*        G  15  12.259  -2.963 -18.919
  164    H1*    G  15           H1*        G  15  11.474  -4.064 -20.767
  165    H8     G  15           H8         G  15  14.246  -5.887 -18.668
  166    H1     G  15           H1         G  15   8.808  -9.216 -19.217
  167   1H2     G  15          1H2         G  15   7.834  -6.439 -21.135
  168   2H2     G  15          2H2         G  15   7.406  -8.086 -20.595
  169   1H5*    A  16          1H5*        A  16   9.258  -1.352 -22.405
  170   2H5*    A  16          2H5*        A  16   9.888  -2.999 -22.358
  171    H4*    A  16           H4*        A  16   7.459  -2.983 -22.727
  172    H3*    A  16           H3*        A  16   7.273  -0.902 -20.947
  173   1H2*    A  16          1H2*        A  16   7.857  -2.067 -19.118
  174   2H2*    A  16          2H2*        A  16   6.089  -2.337 -18.979
  175    H1*    A  16           H1*        A  16   6.059  -4.401 -20.002
  176    H8     A  16           H8         A  16   9.613  -3.519 -18.394
  177   1H6     A  16          1H6         A  16   8.809  -8.636 -15.019
  178   2H6     A  16          2H6         A  16   9.871  -7.287 -15.319
  179    H2     A  16           H2         A  16   5.325  -8.293 -17.751
  180   1H5*    T  17          1H5*        T  17   2.015  -2.910 -20.919
  181   2H5*    T  17          2H5*        T  17   3.657  -3.501 -21.248
  182    H4*    T  17           H4*        T  17   2.567  -4.817 -19.396
  183    H3*    T  17           H3*        T  17   2.035  -2.016 -18.581
  184   1H2*    T  17          1H2*        T  17   3.336  -2.254 -16.726
  185   2H2*    T  17          2H2*        T  17   2.119  -3.491 -16.097
  186    H1*    T  17           H1*        T  17   3.153  -5.213 -17.305
  187    H3     T  17           H3         T  17   5.981  -6.747 -14.303
  188   1H5M    T  17           H51        T  17   8.643  -2.859 -14.474
  189   2H5M    T  17           H52        T  17   7.986  -2.176 -15.989
  190   3H5M    T  17           H53        T  17   7.267  -1.745 -14.414
  191    H6     T  17           H6         T  17   5.526  -2.566 -16.616
  192   1H5*    G  18          1H5*        G  18  -1.668  -5.385 -16.322
  193   2H5*    G  18          2H5*        G  18  -0.073  -5.917 -16.882
  194    H4*    G  18           H4*        G  18  -0.705  -7.225 -14.992
  195    H3*    G  18           H3*        G  18  -2.072  -5.211 -13.744
  196   1H2*    G  18          1H2*        G  18   0.135  -3.943 -13.402
  197   2H2*    G  18          2H2*        G  18  -0.165  -4.676 -11.791
  198    H1*    G  18           H1*        G  18   0.878  -6.776 -12.470
  199    H8     G  18           H8         G  18   2.378  -3.393 -13.401
  200    H1     G  18           H1         G  18   6.182  -7.603 -10.423
  201   1H2     G  18          1H2         G  18   3.352  -9.647 -10.858
  202   2H2     G  18          2H2         G  18   5.021  -9.541 -10.224
  203   1H5*    G  19          1H5*        G  19  -2.928  -9.672 -11.734
  204   2H5*    G  19          2H5*        G  19  -1.436  -9.139 -12.504
  205    H4*    G  19           H4*        G  19  -1.140 -11.385 -11.500
  206    H3*    G  19           H3*        G  19  -2.637 -10.912  -9.306
  207   1H2*    G  19          1H2*        G  19  -1.461  -8.940  -8.771
  208   2H2*    G  19          2H2*        G  19  -0.760 -10.188  -7.605
  209    H1*    G  19           H1*        G  19   0.978 -10.730  -8.881
  210    H8     G  19           H8         G  19   0.350  -7.105 -10.219
  211    H1     G  19           H1         G  19   5.299  -7.916  -6.314
  212   1H2     G  19          1H2         G  19   4.160 -11.178  -5.975
  213   2H2     G  19          2H2         G  19   5.431 -10.000  -5.611
  214   1H5*    T  20          1H5*        T  20   0.448 -13.652  -5.622
  215   2H5*    T  20          2H5*        T  20   1.229 -12.581  -6.816
  216    H4*    T  20           H4*        T  20   1.791 -12.185  -4.361
  217    H3*    T  20           H3*        T  20  -1.111 -12.164  -4.031
  218   1H2*    T  20          1H2*        T  20  -1.328  -9.927  -4.512
  219   2H2*    T  20          2H2*        T  20  -0.857  -9.881  -2.832
  220    H1*    T  20           H1*        T  20   1.586  -9.687  -3.408
  221    H3     T  20           H3         T  20   2.856  -5.680  -4.578
  222   1H5M    T  20           H51        T  20  -1.881  -6.068  -6.805
  223   2H5M    T  20           H52        T  20  -0.688  -5.148  -7.732
  224   3H5M    T  20           H53        T  20  -0.961  -6.881  -8.060
  225    H6     T  20           H6         T  20  -0.727  -8.505  -6.004
  226   1H5*    A  21          1H5*        A  21   0.979 -12.868   1.284
  227   2H5*    A  21          2H5*        A  21   1.740 -12.273  -0.216
  228    H4*    A  21           H4*        A  21   2.257 -10.849   1.634
  229    H3*    A  21           H3*        A  21  -0.675 -10.958   2.064
  230   1H2*    A  21          1H2*        A  21  -1.028  -8.706   1.433
  231   2H2*    A  21          2H2*        A  21   0.112  -8.290   2.721
  232    H1*    A  21           H1*        A  21   1.928  -8.184   1.440
  233    H8     A  21           H8         A  21  -1.293  -7.792  -0.802
  234   1H6     A  21          1H6         A  21   1.635  -2.776  -3.058
  235   2H6     A  21          2H6         A  21   0.239  -3.798  -3.321
  236    H2     A  21           H2         A  21   4.408  -4.874  -0.297
  237   1H5*    G  22          1H5*        G  22   3.399  -9.597   4.834
  238   2H5*    G  22          2H5*        G  22   2.597  -9.478   3.273
  239    H4*    G  22           H4*        G  22   4.339  -7.899   3.273
  240    H3*    G  22           H3*        G  22   4.337  -7.321   5.922
  241   1H2*    G  22          1H2*        G  22   2.095  -5.998   5.863
  242   2H2*    G  22          2H2*        G  22   3.537  -5.082   5.866
  243    H1*    G  22           H1*        G  22   3.446  -4.873   3.367
  244    H8     G  22           H8         G  22  -0.252  -6.026   4.357
  245    H1     G  22           H1         G  22   0.595  -0.460   1.343
  246   1H2     G  22          1H2         G  22   3.970  -1.452   1.408
  247   2H2     G  22          2H2         G  22   2.719  -0.254   0.987
  248   1HN    AF  23           H         AF  23  -0.095   5.804   1.601
  249    H1    AF  23           H1        AF  23  -1.539   3.397   3.181
  250    H3    AF  23           H3        AF  23   1.674   5.305   2.742
  251    H4    AF  23           H4        AF  23   3.221   3.256   3.564
  252    H5    AF  23           H5        AF  23   3.908   0.418   4.599
  253    H6    AF  23           H6        AF  23   3.717  -1.906   5.602
  254    H7    AF  23           H7        AF  23   1.614  -2.819   6.061
  255    H8    AF  23           H8        AF  23  -0.419  -1.655   5.515
  256   1H9    AF  23           H9A       AF  23  -1.006   1.380   5.372
  257   2H9    AF  23           H9B       AF  23  -1.130   0.518   3.631
   
  Start of MODEL    5
    1   1H5*    A   1          1H5*        A   1  -3.939   8.796  11.657
    2   2H5*    A   1          2H5*        A   1  -4.820   7.955  12.948
    3    H4*    A   1           H4*        A   1  -2.434   7.784  13.329
    4    H3*    A   1           H3*        A   1  -1.629   7.764  10.851
    5   1H2*    A   1          1H2*        A   1  -3.380   6.019  10.401
    6   2H2*    A   1          2H2*        A   1  -1.834   5.148  10.089
    7    H1*    A   1           H1*        A   1  -2.217   4.086  12.507
    8    H8     A   1           H8         A   1  -4.994   4.303  13.822
    9   1H6     A   1          1H6         A   1  -8.500   1.957   9.286
   10   2H6     A   1          2H6         A   1  -8.443   2.317  11.002
   11    H2     A   1           H2         A   1  -4.629   3.193   7.501
   12    H5T    A   1           H5T        A   1  -4.807   6.132  11.297
   13   1H5*    A   2          1H5*        A   2   2.490   8.613  10.043
   14   2H5*    A   2          2H5*        A   2   3.419   7.087   9.926
   15    H4*    A   2           H4*        A   2   3.054   8.044   7.729
   16    H3*    A   2           H3*        A   2   0.348   7.950   8.764
   17   1H2*    A   2          1H2*        A   2  -0.355   7.700   6.002
   18   2H2*    A   2          2H2*        A   2   1.393   7.768   5.768
   19    H1*    A   2           H1*        A   2   1.415   5.392   6.155
   20    H8     A   2           H8         A   2  -1.991   6.282   6.881
   21   1H6     A   2          1H6         A   2  -2.152   0.371   8.752
   22   2H6     A   2          2H6         A   2  -3.068   1.878   8.711
   23    H2     A   2           H2         A   2   2.200   1.767   8.137
   24   1H5*    C   3          1H5*        C   3  -2.584  12.173   5.955
   25   2H5*    C   3          2H5*        C   3  -1.714  12.837   7.350
   26    H4*    C   3           H4*        C   3  -0.719  13.381   5.154
   27    H3*    C   3           H3*        C   3  -1.210  10.790   4.379
   28   1H2*    C   3          1H2*        C   3   0.703  10.007   5.783
   29   2H2*    C   3          2H2*        C   3   1.628  10.345   4.187
   30    H1*    C   3           H1*        C   3   2.106  12.486   4.654
   31   1H4     C   3          1H4         C   3   6.280   9.932   9.112
   32   2H4     C   3          2H4         C   3   7.206  10.720   7.845
   33    H5     C   3           H5         C   3   3.778   9.908   9.097
   34    H6     C   3           H6         C   3   1.899  10.584   7.945
   35   1H5*    G   4          1H5*        G   4  -3.513  10.163   1.511
   36   2H5*    G   4          2H5*        G   4  -3.059  11.401   0.324
   37    H4*    G   4           H4*        G   4  -0.720  10.399   0.325
   38    H3*    G   4           H3*        G   4  -2.649   9.398  -1.117
   39   1H2*    G   4          1H2*        G   4  -3.350   8.228   0.978
   40   2H2*    G   4          2H2*        G   4  -2.443   6.776   0.061
   41    H1*    G   4           H1*        G   4  -0.677   7.053   1.257
   42    H1     G   4           H1         G   4  -6.795   6.606   4.413
   43   1H2     G   4          1H2         G   4  -7.664   7.828   2.680
   44   2H2     G   4          2H2         G   4  -6.560   8.637   1.569
   45   1H5*    C   5          1H5*        C   5   1.843   7.274  -1.942
   46   2H5*    C   5          2H5*        C   5   1.069   7.457  -0.358
   47    H4*    C   5           H4*        C   5   2.977   6.706  -0.212
   48    H3*    C   5           H3*        C   5   3.360   5.097  -2.255
   49   1H2*    C   5          1H2*        C   5   1.274   3.880  -1.743
   50   2H2*    C   5          2H2*        C   5   2.513   2.653  -1.355
   51    H1*    C   5           H1*        C   5   2.358   3.202   1.114
   52   1H4     C   5          1H4         C   5  -3.968   1.920   1.174
   53   2H4     C   5          2H4         C   5  -2.979   0.496   1.545
   54    H5     C   5           H5         C   5  -2.498   4.281   0.269
   55    H6     C   5           H6         C   5  -0.338   4.868  -0.135
   56   1H5*    T   6          1H5*        T   6   7.993   3.471   1.285
   57   2H5*    T   6          2H5*        T   6   6.298   3.188   1.689
   58    H4*    T   6           H4*        T   6   7.484   1.179   2.017
   59    H3*    T   6           H3*        T   6   9.278   1.350   0.012
   60   1H2*    T   6          1H2*        T   6   7.467   1.300  -1.643
   61   2H2*    T   6          2H2*        T   6   8.079  -0.381  -1.727
   62    H1*    T   6           H1*        T   6   6.582  -1.158  -0.034
   63    H3     T   6           H3         T   6   2.387  -1.944  -1.574
   64   1H5M    T   6           H51        T   6   3.627   2.946  -3.353
   65   2H5M    T   6           H52        T   6   3.903   1.804  -4.683
   66   3H5M    T   6           H53        T   6   2.270   2.005  -4.019
   67    H6     T   6           H6         T   6   5.487   1.652  -2.265
   68   1H5*    A   7          1H5*        A   7   9.032  -4.205   0.605
   69   2H5*    A   7          2H5*        A   7   7.675  -3.077   0.787
   70    H4*    A   7           H4*        A   7   7.100  -5.213  -0.344
   71    H3*    A   7           H3*        A   7   9.237  -4.383  -2.279
   72   1H2*    A   7          1H2*        A   7   7.438  -5.739  -3.795
   73   2H2*    A   7          2H2*        A   7   7.753  -4.168  -4.082
   74    H1*    A   7           H1*        A   7   5.558  -5.292  -2.579
   75    H8     A   7           H8         A   7   6.428  -1.665  -3.731
   76   1H6     A   7          1H6         A   7   0.613  -1.748  -5.941
   77   2H6     A   7          2H6         A   7   2.096  -0.812  -5.904
   78    H2     A   7           H2         A   7   1.398  -5.679  -4.098
   79   1H5*    C   8          1H5*        C   8   7.301  -9.192  -2.648
   80   2H5*    C   8          2H5*        C   8   6.705  -7.568  -2.217
   81    H4*    C   8           H4*        C   8   5.047  -8.929  -3.419
   82    H3*    C   8           H3*        C   8   7.265  -9.408  -5.251
   83   1H2*    C   8          1H2*        C   8   6.345  -7.679  -6.720
   84   2H2*    C   8          2H2*        C   8   5.119  -8.953  -7.105
   85    H1*    C   8           H1*        C   8   3.578  -8.007  -5.302
   86   1H4     C   8          1H4         C   8   4.021  -2.123  -8.423
   87   2H4     C   8          2H4         C   8   2.408  -2.798  -8.628
   88    H5     C   8           H5         C   8   5.797  -3.492  -7.152
   89    H6     C   8           H6         C   8   6.162  -5.576  -6.057
   90   1H5*    C   9          1H5*        C   9   3.003 -12.292  -6.402
   91   2H5*    C   9          2H5*        C   9   2.864 -10.601  -5.870
   92    H4*    C   9           H4*        C   9   0.988 -11.296  -7.291
   93    H3*    C   9           H3*        C   9   2.601 -12.783  -8.873
   94   1H2*    C   9          1H2*        C   9   3.894 -10.729  -9.390
   95   2H2*    C   9          2H2*        C   9   2.978 -11.047 -10.900
   96    H1*    C   9           H1*        C   9   1.051  -9.608 -10.010
   97   1H4     C   9          1H4         C   9   4.997  -4.337 -10.620
   98   2H4     C   9          2H4         C   9   3.383  -3.922 -11.198
   99    H5     C   9           H5         C   9   5.517  -6.547  -9.718
  100    H6     C   9           H6         C   9   4.637  -8.706  -9.225
  101   1H5*    A  10          1H5*        A  10  -2.003 -13.400 -11.985
  102   2H5*    A  10          2H5*        A  10  -1.731 -12.000 -10.916
  103    H4*    A  10           H4*        A  10  -3.161 -11.345 -12.787
  104    H3*    A  10           H3*        A  10  -1.747 -13.056 -14.418
  105   1H2*    A  10          1H2*        A  10   0.002 -12.201 -14.352
  106   2H2*    A  10          2H2*        A  10  -0.374 -11.334 -15.829
  107    H1*    A  10           H1*        A  10  -1.569  -9.441 -14.691
  108    H8     A  10           H8         A  10   1.911 -10.530 -13.367
  109   1H6     A  10          1H6         A  10   3.368  -4.534 -14.113
  110   2H6     A  10          2H6         A  10   3.968  -6.109 -13.598
  111    H2     A  10           H2         A  10  -0.924  -5.025 -15.049
  112   1H5*    T  11          1H5*        T  11  -5.412 -11.106 -18.194
  113   2H5*    T  11          2H5*        T  11  -4.731 -10.555 -16.637
  114    H4*    T  11           H4*        T  11  -5.040  -8.594 -18.165
  115    H3*    T  11           H3*        T  11  -3.737 -10.425 -20.063
  116   1H2*    T  11          1H2*        T  11  -1.809  -9.665 -19.780
  117   2H2*    T  11          2H2*        T  11  -2.338  -8.161 -20.694
  118    H1*    T  11           H1*        T  11  -2.939  -7.053 -18.802
  119    H3     T  11           H3         T  11   1.079  -5.443 -17.555
  120   1H5M    T  11           H51        T  11   1.405 -10.450 -16.052
  121   2H5M    T  11           H52        T  11   1.979 -10.584 -17.735
  122   3H5M    T  11           H53        T  11   2.838  -9.567 -16.559
  123    H6     T  11           H6         T  11  -0.745  -9.870 -17.811
  124   1H5*    C  12          1H5*        C  12  -4.828  -5.616 -22.191
  125   2H5*    C  12          2H5*        C  12  -4.104  -6.099 -20.652
  126    H4*    C  12           H4*        C  12  -3.173  -4.023 -21.533
  127    H3*    C  12           H3*        C  12  -3.064  -5.022 -24.152
  128   1H2*    C  12          1H2*        C  12  -1.327  -6.601 -23.412
  129   2H2*    C  12          2H2*        C  12  -0.541  -5.238 -24.325
  130    H1*    C  12           H1*        C  12  -0.194  -4.055 -22.155
  131   1H4     C  12          1H4         C  12   3.990  -8.940 -20.477
  132   2H4     C  12          2H4         C  12   4.885  -7.437 -20.507
  133    H5     C  12           H5         C  12   1.600  -9.084 -21.121
  134    H6     C  12           H6         C  12  -0.372  -7.709 -21.812
  135   1H5*    C  13          1H5*        C  13  -1.317  -0.067 -25.270
  136   2H5*    C  13          2H5*        C  13  -0.364  -0.703 -23.918
  137    H4*    C  13           H4*        C  13   0.868   0.859 -25.403
  138    H3*    C  13           H3*        C  13  -0.183  -0.489 -27.544
  139   1H2*    C  13          1H2*        C  13   0.790  -2.381 -27.203
  140   2H2*    C  13          2H2*        C  13   2.003  -1.736 -28.354
  141    H1*    C  13           H1*        C  13   3.454  -0.971 -26.601
  142   1H4     C  13          1H4         C  13   3.243  -7.097 -23.875
  143   2H4     C  13          2H4         C  13   4.906  -6.534 -24.003
  144    H5     C  13           H5         C  13   1.367  -5.623 -24.555
  145    H6     C  13           H6         C  13   0.819  -3.410 -25.516
  146   1H5*    G  14          1H5*        G  14  16.502  -5.274 -23.393
  147   2H5*    G  14          2H5*        G  14  15.573  -5.970 -24.732
  148    H4*    G  14           H4*        G  14  15.014  -3.615 -24.492
  149    H3*    G  14           H3*        G  14  15.273  -3.625 -21.794
  150   1H2*    G  14          1H2*        G  14  13.396  -5.230 -21.641
  151   2H2*    G  14          2H2*        G  14  12.653  -3.685 -21.131
  152    H1*    G  14           H1*        G  14  12.102  -3.119 -23.481
  153    H8     G  14           H8         G  14  11.703  -6.876 -22.397
  154    H1     G  14           H1         G  14   6.420  -4.085 -24.635
  155   1H2     G  14          1H2         G  14   8.451  -1.292 -25.157
  156   2H2     G  14          2H2         G  14   6.873  -2.063 -25.345
  157    H5T    G  14           H5T        G  14  14.111  -6.785 -23.166
  158   1H5*    G  15          1H5*        G  15  12.425   1.142 -22.738
  159   2H5*    G  15          2H5*        G  15  12.229  -0.292 -23.763
  160    H4*    G  15           H4*        G  15  10.191   1.019 -23.751
  161    H3*    G  15           H3*        G  15  10.571   1.762 -21.157
  162   1H2*    G  15          1H2*        G  15  10.437  -0.466 -20.369
  163   2H2*    G  15          2H2*        G  15   8.755   0.118 -19.995
  164    H1*    G  15           H1*        G  15   7.915  -0.475 -22.039
  165    H8     G  15           H8         G  15  10.557  -2.947 -20.436
  166    H1     G  15           H1         G  15   4.642  -5.189 -21.465
  167   1H2     G  15          1H2         G  15   4.168  -2.202 -23.092
  168   2H2     G  15          2H2         G  15   3.505  -3.715 -22.506
  169   1H5*    A  16          1H5*        A  16   5.831   2.700 -22.780
  170   2H5*    A  16          2H5*        A  16   6.383   1.053 -23.118
  171    H4*    A  16           H4*        A  16   3.942   1.282 -23.333
  172    H3*    A  16           H3*        A  16   3.995   2.976 -21.135
  173   1H2*    A  16          1H2*        A  16   4.518   1.383 -19.512
  174   2H2*    A  16          2H2*        A  16   2.769   1.302 -19.471
  175    H1*    A  16           H1*        A  16   2.521  -0.461 -20.942
  176    H8     A  16           H8         A  16   6.129  -0.432 -19.411
  177   1H6     A  16          1H6         A  16   4.042  -5.600 -16.573
  178   2H6     A  16          2H6         A  16   5.413  -4.469 -16.574
  179    H2     A  16           H2         A  16   0.834  -3.993 -19.042
  180   1H5*    T  17          1H5*        T  17  -1.140   1.577 -21.604
  181   2H5*    T  17          2H5*        T  17   0.210   0.429 -21.672
  182    H4*    T  17           H4*        T  17  -1.868  -0.552 -20.711
  183    H3*    T  17           H3*        T  17  -2.051   1.902 -19.404
  184   1H2*    T  17          1H2*        T  17  -0.416   1.447 -17.897
  185   2H2*    T  17          2H2*        T  17  -1.868   0.871 -16.935
  186    H1*    T  17           H1*        T  17  -1.664  -1.360 -17.888
  187    H3     T  17           H3         T  17   1.214  -3.626 -15.305
  188   1H5M    T  17           H51        T  17   3.474   1.039 -15.653
  189   2H5M    T  17           H52        T  17   4.491  -0.401 -15.471
  190   3H5M    T  17           H53        T  17   4.197   0.278 -17.093
  191    H6     T  17           H6         T  17   1.506   0.601 -17.529
  192   1H5*    G  18          1H5*        G  18  -6.353  -0.854 -16.954
  193   2H5*    G  18          2H5*        G  18  -5.032  -1.883 -17.533
  194    H4*    G  18           H4*        G  18  -6.015  -2.840 -15.533
  195    H3*    G  18           H3*        G  18  -6.563  -0.445 -14.354
  196   1H2*    G  18          1H2*        G  18  -4.074  -0.022 -14.281
  197   2H2*    G  18          2H2*        G  18  -4.521  -0.444 -12.583
  198    H1*    G  18           H1*        G  18  -4.249  -2.828 -13.089
  199    H8     G  18           H8         G  18  -1.803  -0.087 -14.165
  200    H1     G  18           H1         G  18   0.695  -5.260 -11.313
  201   1H2     G  18          1H2         G  18  -2.685  -6.318 -11.523
  202   2H2     G  18          2H2         G  18  -1.020  -6.875 -11.225
  203   1H5*    G  19          1H5*        G  19  -8.607  -4.260 -11.363
  204   2H5*    G  19          2H5*        G  19  -7.252  -4.439 -12.504
  205    H4*    G  19           H4*        G  19  -7.447  -6.385 -10.959
  206    H3*    G  19           H3*        G  19  -8.052  -4.609  -8.855
  207   1H2*    G  19          1H2*        G  19  -6.036  -3.522  -9.154
  208   2H2*    G  19          2H2*        G  19  -5.722  -4.639  -7.729
  209    H1*    G  19           H1*        G  19  -4.891  -6.329  -8.943
  210    H8     G  19           H8         G  19  -4.153  -2.843 -10.611
  211    H1     G  19           H1         G  19   0.834  -5.386  -7.578
  212   1H2     G  19          1H2         G  19  -1.405  -7.897  -6.640
  213   2H2     G  19          2H2         G  19   0.302  -7.544  -6.988
  214   1H5*    T  20          1H5*        T  20  -6.737  -8.816  -6.385
  215   2H5*    T  20          2H5*        T  20  -5.459  -8.334  -7.515
  216    H4*    T  20           H4*        T  20  -4.594  -9.727  -5.700
  217    H3*    T  20           H3*        T  20  -6.363  -8.557  -3.964
  218   1H2*    T  20          1H2*        T  20  -5.444  -6.371  -4.146
  219   2H2*    T  20          2H2*        T  20  -4.822  -6.973  -2.685
  220    H1*    T  20           H1*        T  20  -2.676  -7.703  -3.772
  221    H3     T  20           H3         T  20  -0.306  -3.925  -4.360
  222   1H5M    T  20           H51        T  20  -4.251  -2.981  -7.552
  223   2H5M    T  20           H52        T  20  -5.146  -2.652  -6.039
  224   3H5M    T  20           H53        T  20  -3.721  -1.693  -6.472
  225    H6     T  20           H6         T  20  -4.707  -5.220  -5.746
  226   1H5*    A  21          1H5*        A  21  -2.739 -10.991  -1.194
  227   2H5*    A  21          2H5*        A  21  -2.211  -9.829  -2.427
  228    H4*    A  21           H4*        A  21  -0.480 -10.343  -0.741
  229    H3*    A  21           H3*        A  21  -2.410 -10.288   1.152
  230   1H2*    A  21          1H2*        A  21  -2.893  -7.920   1.078
  231   2H2*    A  21          2H2*        A  21  -1.617  -7.980   2.296
  232    H1*    A  21           H1*        A  21   0.124  -7.409   0.875
  233    H8     A  21           H8         A  21  -3.431  -6.004  -0.268
  234   1H6     A  21          1H6         A  21  -0.271  -1.249  -2.596
  235   2H6     A  21          2H6         A  21  -1.884  -1.882  -2.274
  236    H2     A  21           H2         A  21   2.690  -4.181  -1.122
  237   1H5*    G  22          1H5*        G  22   1.844  -9.882   4.806
  238   2H5*    G  22          2H5*        G  22   1.913  -9.602   3.054
  239    H4*    G  22           H4*        G  22   3.301  -7.930   4.217
  240    H3*    G  22           H3*        G  22   0.712  -7.007   5.592
  241   1H2*    G  22          1H2*        G  22   1.568  -5.338   6.073
  242   2H2*    G  22          2H2*        G  22   3.263  -5.556   5.561
  243    H1*    G  22           H1*        G  22   2.638  -5.179   3.178
  244    H8     G  22           H8         G  22  -1.086  -5.988   4.288
  245    H1     G  22           H1         G  22   0.189  -0.500   1.261
  246   1H2     G  22          1H2         G  22   3.489  -1.692   1.263
  247   2H2     G  22          2H2         G  22   2.379  -0.313   1.158
  248   1HN    AF  23           H         AF  23   0.390   6.996   3.169
  249    H1    AF  23           H1        AF  23  -1.133   3.802   3.836
  250    H3    AF  23           H3        AF  23   2.066   5.827   3.213
  251    H4    AF  23           H4        AF  23   3.640   3.631   3.616
  252    H5    AF  23           H5        AF  23   4.166   0.335   4.278
  253    H6    AF  23           H6        AF  23   3.597  -2.127   4.932
  254    H7    AF  23           H7        AF  23   1.560  -2.746   5.305
  255    H8    AF  23           H8        AF  23  -0.357  -1.276   5.127
  256   1H9    AF  23           H9A       AF  23  -0.640   1.827   5.434
  257   2H9    AF  23           H9B       AF  23  -0.870   1.192   3.633
   
  Start of MODEL    6
    1   1H5*    A   1          1H5*        A   1  -1.847   9.417  12.712
    2   2H5*    A   1          2H5*        A   1  -2.057   8.565  14.234
    3    H4*    A   1           H4*        A   1  -0.076   7.693  13.187
    4    H3*    A   1           H3*        A   1  -0.796   7.822  10.699
    5   1H2*    A   1          1H2*        A   1  -2.985   6.838  11.327
    6   2H2*    A   1          2H2*        A   1  -2.279   5.546  10.304
    7    H1*    A   1           H1*        A   1  -1.681   4.281  12.578
    8    H8     A   1           H8         A   1  -2.978   5.342  15.209
    9   1H6     A   1          1H6         A   1  -8.817   4.066  13.359
   10   2H6     A   1          2H6         A   1  -7.879   4.273  14.826
   11    H2     A   1           H2         A   1  -6.235   4.127   9.843
   12    H5T    A   1           H5T        A   1  -3.544   7.159  12.946
   13   1H5*    A   2          1H5*        A   2   2.947   9.055   9.926
   14   2H5*    A   2          2H5*        A   2   3.795   7.451   9.918
   15    H4*    A   2           H4*        A   2   3.245   8.038   7.754
   16    H3*    A   2           H3*        A   2   0.513   8.230   8.883
   17   1H2*    A   2          1H2*        A   2  -0.207   7.749   6.200
   18   2H2*    A   2          2H2*        A   2   1.523   7.789   5.936
   19    H1*    A   2           H1*        A   2   1.540   5.419   6.454
   20    H8     A   2           H8         A   2  -1.863   6.414   7.146
   21   1H6     A   2          1H6         A   2  -2.267   0.308   8.532
   22   2H6     A   2          2H6         A   2  -3.236   1.757   8.402
   23    H2     A   2           H2         A   2   2.065   1.590   8.106
   24   1H5*    C   3          1H5*        C   3  -2.546  11.771   5.493
   25   2H5*    C   3          2H5*        C   3  -1.877  12.665   6.877
   26    H4*    C   3           H4*        C   3  -0.786  13.233   4.732
   27    H3*    C   3           H3*        C   3  -0.907  10.542   4.183
   28   1H2*    C   3          1H2*        C   3   1.080  10.080   5.475
   29   2H2*    C   3          2H2*        C   3   2.000  10.645   3.914
   30    H1*    C   3           H1*        C   3   2.091  12.770   4.518
   31   1H4     C   3          1H4         C   3   6.150  10.560   9.281
   32   2H4     C   3          2H4         C   3   7.205  11.163   8.014
   33    H5     C   3           H5         C   3   3.866  10.250   9.029
   34    H6     C   3           H6         C   3   1.940  10.723   7.777
   35   1H5*    G   4          1H5*        G   4   1.436   9.794  -0.570
   36   2H5*    G   4          2H5*        G   4   1.761   9.653   1.137
   37    H4*    G   4           H4*        G   4   0.776   7.650   0.112
   38    H3*    G   4           H3*        G   4  -1.652   9.408  -0.214
   39   1H2*    G   4          1H2*        G   4  -2.935   7.897   0.749
   40   2H2*    G   4          2H2*        G   4  -2.150   6.310  -0.006
   41    H1*    G   4           H1*        G   4  -0.563   6.141   1.409
   42    H1     G   4           H1         G   4  -6.689   6.709   4.332
   43   1H2     G   4          1H2         G   4  -7.470   7.086   2.262
   44   2H2     G   4          2H2         G   4  -6.380   7.424   0.911
   45   1H5*    C   5          1H5*        C   5   0.892   4.542  -1.951
   46   2H5*    C   5          2H5*        C   5   2.149   5.593  -2.664
   47    H4*    C   5           H4*        C   5   2.679   6.398  -0.349
   48    H3*    C   5           H3*        C   5   4.063   4.435  -1.523
   49   1H2*    C   5          1H2*        C   5   2.052   3.000  -1.367
   50   2H2*    C   5          2H2*        C   5   3.201   2.109  -0.277
   51    H1*    C   5           H1*        C   5   2.224   3.145   1.644
   52   1H4     C   5          1H4         C   5  -3.998   1.757   0.821
   53   2H4     C   5          2H4         C   5  -3.099   0.350   1.442
   54    H5     C   5           H5         C   5  -2.490   3.798  -0.263
   55    H6     C   5           H6         C   5  -0.220   4.420  -0.488
   56   1H5*    T   6          1H5*        T   6   7.713   1.806   1.047
   57   2H5*    T   6          2H5*        T   6   5.997   1.578   1.558
   58    H4*    T   6           H4*        T   6   6.977  -0.353   0.467
   59    H3*    T   6           H3*        T   6   8.104   1.324  -1.380
   60   1H2*    T   6          1H2*        T   6   5.849   1.813  -2.402
   61   2H2*    T   6          2H2*        T   6   6.475   0.451  -3.417
   62    H1*    T   6           H1*        T   6   5.637  -1.187  -1.903
   63    H3     T   6           H3         T   6   1.089  -2.058  -1.883
   64   1H5M    T   6           H51        T   6   1.549   1.839  -5.106
   65   2H5M    T   6           H52        T   6   0.144   1.917  -4.022
   66   3H5M    T   6           H53        T   6   1.561   2.932  -3.730
   67    H6     T   6           H6         T   6   3.784   1.657  -3.246
   68   1H5*    A   7          1H5*        A   7   8.611  -4.072  -2.748
   69   2H5*    A   7          2H5*        A   7   7.515  -3.013  -1.817
   70    H4*    A   7           H4*        A   7   6.514  -4.900  -2.900
   71    H3*    A   7           H3*        A   7   7.702  -3.749  -5.326
   72   1H2*    A   7          1H2*        A   7   5.949  -3.083  -6.421
   73   2H2*    A   7          2H2*        A   7   5.222  -4.487  -6.288
   74    H1*    A   7           H1*        A   7   4.373  -4.583  -4.202
   75    H8     A   7           H8         A   7   4.260  -1.031  -5.492
   76   1H6     A   7          1H6         A   7  -1.883  -2.093  -5.452
   77   2H6     A   7          2H6         A   7  -0.702  -1.056  -6.223
   78    H2     A   7           H2         A   7   0.228  -5.705  -3.987
   79   1H5*    C   8          1H5*        C   8   5.731  -8.192  -4.472
   80   2H5*    C   8          2H5*        C   8   4.861  -6.727  -3.974
   81    H4*    C   8           H4*        C   8   3.453  -8.640  -3.687
   82    H3*    C   8           H3*        C   8   4.507  -9.855  -5.749
   83   1H2*    C   8          1H2*        C   8   3.662  -8.131  -7.320
   84   2H2*    C   8          2H2*        C   8   2.339  -9.353  -7.622
   85    H1*    C   8           H1*        C   8   0.917  -8.356  -5.859
   86   1H4     C   8          1H4         C   8   0.984  -2.467  -8.812
   87   2H4     C   8          2H4         C   8  -0.644  -3.164  -8.847
   88    H5     C   8           H5         C   8   2.906  -3.810  -8.098
   89    H6     C   8           H6         C   8   3.519  -5.967  -6.986
   90   1H5*    C   9          1H5*        C   9   0.066 -12.913  -6.591
   91   2H5*    C   9          2H5*        C   9   0.204 -11.311  -5.887
   92    H4*    C   9           H4*        C   9  -1.421 -11.449  -7.783
   93    H3*    C   9           H3*        C   9   0.400 -12.940  -9.272
   94   1H2*    C   9          1H2*        C   9   1.778 -10.963  -9.644
   95   2H2*    C   9          2H2*        C   9   0.798 -10.998 -11.127
   96    H1*    C   9           H1*        C   9  -1.010  -9.585  -9.923
   97   1H4     C   9          1H4         C   9   2.857  -4.489 -11.367
   98   2H4     C   9          2H4         C   9   1.153  -4.025 -11.347
   99    H5     C   9           H5         C   9   3.539  -6.806 -10.593
  100    H6     C   9           H6         C   9   2.676  -8.932  -9.857
  101   1H5*    A  10          1H5*        A  10  -4.099 -13.454 -12.502
  102   2H5*    A  10          2H5*        A  10  -3.990 -11.988 -11.470
  103    H4*    A  10           H4*        A  10  -5.421 -11.605 -13.461
  104    H3*    A  10           H3*        A  10  -3.697 -13.087 -14.938
  105   1H2*    A  10          1H2*        A  10  -2.012 -11.959 -14.769
  106   2H2*    A  10          2H2*        A  10  -2.433 -11.214 -16.228
  107    H1*    A  10           H1*        A  10  -3.870  -9.416 -15.289
  108    H8     A  10           H8         A  10  -0.563 -10.168 -13.387
  109   1H6     A  10          1H6         A  10   0.277  -4.042 -13.554
  110   2H6     A  10          2H6         A  10   0.878  -5.567 -12.915
  111    H2     A  10           H2         A  10  -3.715  -4.904 -15.320
  112   1H5*    T  11          1H5*        T  11  -7.275 -11.028 -18.813
  113   2H5*    T  11          2H5*        T  11  -6.640 -10.449 -17.281
  114    H4*    T  11           H4*        T  11  -6.453  -8.583 -19.007
  115    H3*    T  11           H3*        T  11  -5.099 -10.757 -20.450
  116   1H2*    T  11          1H2*        T  11  -3.073  -9.811 -20.149
  117   2H2*    T  11          2H2*        T  11  -3.717  -8.450 -21.228
  118    H1*    T  11           H1*        T  11  -4.441  -7.306 -19.494
  119    H3     T  11           H3         T  11  -0.918  -5.426 -17.364
  120   1H5M    T  11           H51        T  11   0.658 -10.335 -17.782
  121   2H5M    T  11           H52        T  11   1.041  -9.384 -16.361
  122   3H5M    T  11           H53        T  11  -0.288 -10.581 -16.278
  123    H6     T  11           H6         T  11  -2.245  -9.935 -18.199
  124   1H5*    C  12          1H5*        C  12  -6.553  -6.414 -23.089
  125   2H5*    C  12          2H5*        C  12  -5.952  -6.737 -21.439
  126    H4*    C  12           H4*        C  12  -5.286  -4.503 -22.335
  127    H3*    C  12           H3*        C  12  -4.686  -5.552 -24.761
  128   1H2*    C  12          1H2*        C  12  -3.043  -6.922 -23.843
  129   2H2*    C  12          2H2*        C  12  -2.037  -5.549 -24.457
  130    H1*    C  12           H1*        C  12  -2.224  -4.298 -22.399
  131   1H4     C  12          1H4         C  12   1.796  -8.733 -19.532
  132   2H4     C  12          2H4         C  12   2.095  -7.100 -18.902
  133    H5     C  12           H5         C  12   0.080  -9.073 -21.235
  134    H6     C  12           H6         C  12  -1.797  -7.927 -22.471
  135   1H5*    C  13          1H5*        C  13  -3.646  -0.076 -25.734
  136   2H5*    C  13          2H5*        C  13  -3.559  -0.849 -24.122
  137    H4*    C  13           H4*        C  13  -1.714   0.765 -24.480
  138    H3*    C  13           H3*        C  13  -1.554  -0.566 -27.011
  139   1H2*    C  13          1H2*        C  13  -0.300  -2.219 -26.392
  140   2H2*    C  13          2H2*        C  13   1.063  -1.118 -26.668
  141    H1*    C  13           H1*        C  13   1.026  -0.365 -24.392
  142   1H4     C  13          1H4         C  13   1.691  -7.074 -23.288
  143   2H4     C  13          2H4         C  13   3.107  -6.285 -22.632
  144    H5     C  13           H5         C  13  -0.047  -5.816 -24.403
  145    H6     C  13           H6         C  13  -0.816  -3.535 -25.046
  146   1H5*    G  14          1H5*        G  14  13.455  -3.737 -17.983
  147   2H5*    G  14          2H5*        G  14  13.329  -4.594 -19.536
  148    H4*    G  14           H4*        G  14  12.579  -2.270 -19.769
  149    H3*    G  14           H3*        G  14  11.568  -2.179 -17.314
  150   1H2*    G  14          1H2*        G  14  10.005  -4.048 -17.904
  151   2H2*    G  14          2H2*        G  14   8.921  -2.629 -17.891
  152    H1*    G  14           H1*        G  14   9.379  -2.091 -20.173
  153    H8     G  14           H8         G  14   9.528  -5.975 -19.725
  154    H1     G  14           H1         G  14   4.296  -3.686 -22.632
  155   1H2     G  14          1H2         G  14   5.801  -0.581 -22.048
  156   2H2     G  14          2H2         G  14   4.488  -1.456 -22.821
  157    H5T    G  14           H5T        G  14  11.271  -5.328 -18.803
  158   1H5*    G  15          1H5*        G  15   9.013   2.189 -19.399
  159   2H5*    G  15          2H5*        G  15   9.000   0.718 -20.418
  160    H4*    G  15           H4*        G  15   7.122   2.280 -20.773
  161    H3*    G  15           H3*        G  15   6.774   2.854 -18.109
  162   1H2*    G  15          1H2*        G  15   6.654   0.594 -17.527
  163   2H2*    G  15          2H2*        G  15   4.955   1.092 -17.401
  164    H1*    G  15           H1*        G  15   4.422   0.654 -19.609
  165    H8     G  15           H8         G  15   6.926  -1.851 -18.036
  166    H1     G  15           H1         G  15   1.142  -4.065 -19.727
  167   1H2     G  15          1H2         G  15   0.581  -0.795 -20.696
  168   2H2     G  15          2H2         G  15   0.046  -2.490 -20.744
  169   1H5*    A  16          1H5*        A  16   1.860   4.379 -20.323
  170   2H5*    A  16          2H5*        A  16   2.584   2.793 -20.726
  171    H4*    A  16           H4*        A  16   0.079   2.998 -20.877
  172    H3*    A  16           H3*        A  16   0.039   4.400 -18.492
  173   1H2*    A  16          1H2*        A  16   0.667   2.695 -17.127
  174   2H2*    A  16          2H2*        A  16  -1.086   2.394 -17.098
  175    H1*    A  16           H1*        A  16  -1.265   0.897 -18.783
  176    H8     A  16           H8         A  16   2.336   0.954 -17.223
  177   1H6     A  16          1H6         A  16   1.274  -4.987 -15.840
  178   2H6     A  16          2H6         A  16   2.471  -3.690 -15.725
  179    H2     A  16           H2         A  16  -2.311  -3.420 -17.868
  180   1H5*    T  17          1H5*        T  17  -5.141   3.305 -19.082
  181   2H5*    T  17          2H5*        T  17  -3.709   2.329 -19.482
  182    H4*    T  17           H4*        T  17  -5.550   1.019 -18.470
  183    H3*    T  17           H3*        T  17  -5.459   3.205 -16.612
  184   1H2*    T  17          1H2*        T  17  -3.852   2.276 -15.322
  185   2H2*    T  17          2H2*        T  17  -5.340   1.444 -14.597
  186    H1*    T  17           H1*        T  17  -5.053  -0.352 -16.109
  187    H3     T  17           H3         T  17  -1.823  -3.149 -14.642
  188   1H5M    T  17           H51        T  17   1.076   0.190 -13.399
  189   2H5M    T  17           H52        T  17   0.751   1.306 -14.712
  190   3H5M    T  17           H53        T  17  -0.130   1.458 -13.124
  191    H6     T  17           H6         T  17  -1.939   1.610 -14.963
  192   1H5*    G  18          1H5*        G  18  -9.536  -0.015 -14.698
  193   2H5*    G  18          2H5*        G  18  -8.153  -0.867 -15.337
  194    H4*    G  18           H4*        G  18  -9.114  -2.082 -13.529
  195    H3*    G  18           H3*        G  18  -9.370   0.077 -11.780
  196   1H2*    G  18          1H2*        G  18  -6.930   0.177 -11.597
  197   2H2*    G  18          2H2*        G  18  -7.328  -0.741 -10.155
  198    H1*    G  18           H1*        G  18  -7.198  -2.932 -11.553
  199    H8     G  18           H8         G  18  -4.858   0.087 -12.036
  200    H1     G  18           H1         G  18  -1.618  -5.332 -11.076
  201   1H2     G  18          1H2         G  18  -4.784  -6.861 -11.301
  202   2H2     G  18          2H2         G  18  -3.045  -7.041 -11.038
  203   1H5*    G  19          1H5*        G  19 -11.983  -4.028  -8.550
  204   2H5*    G  19          2H5*        G  19 -11.071  -4.433 -10.019
  205    H4*    G  19           H4*        G  19 -11.001  -6.240  -8.538
  206    H3*    G  19           H3*        G  19 -10.808  -5.064  -6.103
  207   1H2*    G  19          1H2*        G  19  -8.916  -3.917  -6.736
  208   2H2*    G  19          2H2*        G  19  -8.335  -5.314  -5.672
  209    H1*    G  19           H1*        G  19  -7.854  -6.642  -7.398
  210    H8     G  19           H8         G  19  -7.488  -2.915  -8.568
  211    H1     G  19           H1         G  19  -2.062  -6.112  -7.700
  212   1H2     G  19          1H2         G  19  -4.106  -8.677  -6.708
  213   2H2     G  19          2H2         G  19  -2.429  -8.163  -7.013
  214   1H5*    T  20          1H5*        T  20  -8.518 -10.014  -5.098
  215   2H5*    T  20          2H5*        T  20  -7.631  -9.023  -6.262
  216    H4*    T  20           H4*        T  20  -5.986 -10.232  -4.915
  217    H3*    T  20           H3*        T  20  -7.507  -9.465  -2.520
  218   1H2*    T  20          1H2*        T  20  -6.755  -7.222  -2.674
  219   2H2*    T  20          2H2*        T  20  -5.390  -7.973  -1.770
  220    H1*    T  20           H1*        T  20  -4.073  -8.428  -3.621
  221    H3     T  20           H3         T  20  -2.011  -4.540  -4.461
  222   1H5M    T  20           H51        T  20  -6.940  -3.248  -5.611
  223   2H5M    T  20           H52        T  20  -7.055  -3.145  -3.832
  224   3H5M    T  20           H53        T  20  -5.936  -2.101  -4.705
  225    H6     T  20           H6         T  20  -6.643  -5.769  -4.201
  226   1H5*    A  21          1H5*        A  21  -3.013 -11.570  -0.694
  227   2H5*    A  21          2H5*        A  21  -3.009 -10.341  -2.025
  228    H4*    A  21           H4*        A  21  -0.990 -10.532  -0.667
  229    H3*    A  21           H3*        A  21  -2.661 -10.623   1.602
  230   1H2*    A  21          1H2*        A  21  -3.441  -8.312   1.433
  231   2H2*    A  21          2H2*        A  21  -2.081  -8.263   2.556
  232    H1*    A  21           H1*        A  21  -0.542  -7.742   0.876
  233    H8     A  21           H8         A  21  -4.277  -6.328   0.400
  234   1H6     A  21          1H6         A  21  -1.697  -1.422  -2.243
  235   2H6     A  21          2H6         A  21  -3.190  -2.031  -1.528
  236    H2     A  21           H2         A  21   1.547  -4.183  -1.353
  237   1H5*    G  22          1H5*        G  22   3.236  -9.802   4.167
  238   2H5*    G  22          2H5*        G  22   3.307  -9.279   2.471
  239    H4*    G  22           H4*        G  22   3.752  -7.460   3.696
  240    H3*    G  22           H3*        G  22   1.068  -7.385   5.255
  241   1H2*    G  22          1H2*        G  22   1.462  -5.510   5.689
  242   2H2*    G  22          2H2*        G  22   3.203  -5.474   5.386
  243    H1*    G  22           H1*        G  22   2.709  -5.141   2.939
  244    H8     G  22           H8         G  22  -0.983  -6.122   4.133
  245    H1     G  22           H1         G  22  -0.151  -0.658   0.927
  246   1H2     G  22          1H2         G  22   3.168  -1.589   0.665
  247   2H2     G  22          2H2         G  22   1.922  -0.351   0.567
  248   1HN    AF  23           H         AF  23   0.548   7.219   4.021
  249    H1    AF  23           H1        AF  23  -1.061   3.817   4.338
  250    H3    AF  23           H3        AF  23   2.263   5.860   3.495
  251    H4    AF  23           H4        AF  23   3.679   3.516   3.761
  252    H5    AF  23           H5        AF  23   4.105   0.303   4.187
  253    H6    AF  23           H6        AF  23   3.522  -2.198   4.680
  254    H7    AF  23           H7        AF  23   1.442  -2.805   5.125
  255    H8    AF  23           H8        AF  23  -0.402  -1.275   5.167
  256   1H9    AF  23           H9A       AF  23  -0.623   1.885   5.646
  257   2H9    AF  23           H9B       AF  23  -0.870   1.319   3.836
   
   
  No H/Q in entry =         257