*HEADER   DEOXYRIBONUCLEIC ACID                   18-AUG-97   1AT4    
*TITLE    INTRAMOLECULAR DNA TRIPLEX CONTAINING A NON-NUCLEOTIDE      
*TITLE   2 LINKER (GAGAGA-X-TCTCCT-X-CTCTCT), NMR, 7 STRUCTURES       
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: DNA (5'-D(GAGAGA-DOP-TCTCTC-DOP-CTCTCT)-3');     
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 ENGINEERED: YES;                                           
*COMPND  5 OTHER_DETAILS: DI-(OCTYLPHOSPHATE) LINKER BETWEEN STRANDS 1
*COMPND  6 AND 2 AND BETWEEN STRANDS 2 AND 3.                         
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES                                             
*KEYWDS   DNA, INTRAMOLECULAR TRIPLEX, DEOXYRIBONUCLEIC ACID          
*EXPDTA   NMR, 7 STRUCTURES                                           
*AUTHOR   J.P.BARTLEY                                                 
*REVDAT  1   18-FEB-98 1AT4    0                                      
 
!BIOSYM restraint 1
!
#distance
! H bond stuff
1:G_1:O6         1:C_1C:H42        1.800  2.200 50.00 50.00 1000.000
1:G_1:N7         1:C_1C:N3         2.800  3.500 50.00 50.00 1000.000
1:A_2:H62          1:T_2C:O4           1.820  2.200 50.00 50.00 1000.000
1:A_2:N7           1:T_2C:H3           1.800  2.500 50.00 50.00 1000.000
1:G_3:O6           1:CH_3C:H42         1.800  2.200 50.00 50.00 1000.000
1:G_3:N7           1:CH_3C:N3          2.750  3.500 50.00 50.00 1000.000
1:A_4:H62          1:T_4C:O4           1.800  2.200 50.00 50.00 1000.000
1:A_4:N7           1:T_4C:H3           1.800  2.500 50.00 50.00 1000.000
1:G_5:O6           1:C_5C:H42          1.800  2.300 50.00 50.00 1000.000
1:G_5:N7           1:C_5C:N3           2.700  3.500 50.00 50.00 1000.000
1:A_6:H62          1:T_6C:O4           1.820  2.200 50.00 50.00 1000.000
1:A_6:N7           1:T_6C:H3           1.800  2.500 50.00 50.00 1000.000
1:C_6B:H42         1:G_1:O6            1.800  2.200 50.00 50.00 1000.000
1:C_6B:N3          1:G_1:H1            1.800  2.200 50.00 50.00 1000.000
1:C_6B:O2          1:G_1:H22           1.800  2.200 50.00 50.00 1000.000
1:T_5B:O4          1:A_2:H61           1.800  2.200 50.00 50.00 1000.000
1:T_5B:H3          1:A_2:N1            1.800  2.200 50.00 50.00 1000.000
1:C_4B:H42         1:G_3:O6            1.800  2.200 50.00 50.00 1000.000
1:C_4B:N3          1:G_3:H1            1.800  2.200 50.00 50.00 1000.000
1:C_4B:O2          1:G_3:H22           1.800  2.200 50.00 50.00 1000.000
1:T_3B:O4          1:A_4:H61           1.800  2.200 50.00 50.00 1000.000
1:T_3B:H3          1:A_4:N1            1.800  2.200 50.00 50.00 1000.000
1:C_2B:H42         1:G_5:O6            1.800  2.200 50.00 50.00 1000.000
1:C_2B:N3          1:G_5:H1            1.800  2.200 50.00 50.00 1000.000
1:C_2B:O2          1:G_5:H22           1.800  2.200 50.00 50.00 1000.000
1:T_1B:O4          1:A_6:H61           1.800  2.200 50.00 50.00 1000.000
1:T_1B:H3          1:A_6:N1            1.800  2.200 50.00 50.00 1000.000
! intranucleotide stuff
1:G_1:H8           1:G_1:H1'           3.800  4.000 50.00 50.00 1000.000
1:G_1:H8           1:G_1:H2'1          3.250  4.250 50.00 50.00 1000.000
1:G_1:H8           1:G_1:H2'2          2.100  2.700 50.00 50.00 1000.000
1:G_1:H8           1:G_1:H3'           3.900  4.900 50.00 50.00 1000.000
1:G_1:H1'          1:G_1:H4'           2.900  3.500 50.00 50.00 1000.000
1:A_2:H8           1:A_2:H1'           3.700  4.000 50.00 50.00 1000.000
1:A_2:H8           1:A_2:H2'1          3.500  4.500 50.00 50.00 1000.000
1:A_2:H8           1:A_2:H2'2          2.100  3.000 50.00 50.00 1000.000
1:A_2:H8           1:A_2:H3'           4.000  5.000 50.00 50.00 1000.000
1:A_2:H1'          1:A_2:H4'           2.800  3.500 50.00 50.00 1000.000
1:G_3:H8           1:G_3:H1'           3.700  4.000 50.00 50.00 1000.000
1:G_3:H8           1:G_3:H2'1          3.200  4.200 50.00 50.00 1000.000
1:G_3:H8           1:G_3:H2'2          2.100  2.700 50.00 50.00 1000.000
1:G_3:H8           1:G_3:H3'           3.900  4.900 50.00 50.00 1000.000
1:G_3:H1'          1:G_3:H4'           2.650  3.350 50.00 50.00 1000.000
1:A_4:H8           1:A_4:H1'           3.700  4.100 50.00 50.00 1000.000
1:A_4:H8           1:A_4:H2'1          3.700  4.700 50.00 50.00 1000.000
1:A_4:H8           1:A_4:H2'2          2.300  3.200 50.00 50.00 1000.000
1:A_4:H8           1:A_4:H3'           3.900  4.900 50.00 50.00 1000.000
1:A_4:H1'          1:A_4:H4'           2.900  3.650 50.00 50.00 1000.000
1:G_5:H8           1:G_5:H1'           3.700  4.100 50.00 50.00 1000.000
1:G_5:H8           1:G_5:H2'1          3.900  4.900 50.00 50.00 1000.000
1:G_5:H8           1:G_5:H2'2          2.300  2.900 50.00 50.00 1000.000
1:G_5:H8           1:G_5:H3'           4.400  5.400 50.00 50.00 1000.000
1:G_5:H1'          1:G_5:H4'           2.800  3.450 50.00 50.00 1000.000
1:A_6:H8           1:A_6:H1'           3.700  4.100 50.00 50.00 1000.000
1:A_6:H8           1:A_6:H2'1          3.500  4.500 90.00 90.00 1000.000
1:A_6:H8           1:A_6:H2'2          2.400  2.800 90.00 90.00 1000.000
1:A_6:H8           1:A_6:H3'           4.300  5.000 90.00 90.00 1000.000
1:A_6:H1'          1:A_6:H4'           2.700  3.500 90.00 90.00 1000.000
1:A_6:H2'1         1:A_6:H4'           3.500  4.900 90.00 90.00 1000.000
1:A_6:H1'	   1:A_6:H2'2          2.950  3.200 90.00 90.00 1000.000
1:T_1B:H6          1:T_1B:H1'          3.500  3.900 50.00 50.00 1000.000
1:T_1B:H6          1:T_1B:H2'1         3.000  4.000 50.00 50.00 1000.000
1:T_1B:H6          1:T_1B:H2'2         2.000  2.500 50.00 50.00 1000.000
1:T_1B:H6          1:T_1B:H3'          3.400  4.500 50.00 50.00 1000.000
1:T_1B:H1'         1:T_1B:H4'          2.800  3.500 50.00 50.00 1000.000
1:C_2B:H6          1:C_2B:H1'          3.200  3.900 50.00 50.00 1000.000
1:C_2B:H6          1:C_2B:H2'1         2.500  4.200 50.00 50.00 1000.000
1:C_2B:H6          1:C_2B:H2'2         2.000  2.500 50.00 50.00 1000.000
1:C_2B:H6          1:C_2B:H3'          3.500  4.500 50.00 50.00 1000.000
1:C_2B:H1'         1:C_2B:H4'          2.800  3.600 50.00 50.00 1000.000
1:T_3B:H6          1:T_3B:H1'          3.200  3.900 50.00 50.00 1000.000
1:T_3B:H6          1:T_3B:H2'1         3.000  4.000 50.00 50.00 1000.000
1:T_3B:H6          1:T_3B:H2'2         2.000  2.400 50.00 50.00 1000.000
1:T_3B:H6          1:T_3B:H3'          3.400  4.400 50.00 50.00 1000.000
1:T_3B:H1'         1:T_3B:H4'          2.700  3.500 50.00 50.00 1000.000
1:C_4B:H6          1:C_4B:H1'          3.200  3.900 50.00 50.00 1000.000
1:C_4B:H6          1:C_4B:H2'1         2.500  4.300 50.00 50.00 1000.000
1:C_4B:H6          1:C_4B:H2'2         2.000  2.600 50.00 50.00 1000.000
1:C_4B:H6          1:C_4B:H3'          3.500  4.500 50.00 50.00 1000.000
1:C_4B:H1'         1:C_4B:H4'          2.700  3.400 50.00 50.00 1000.000
1:T_5B:H6          1:T_5B:H1'          3.500  3.900 50.00 50.00 1000.000
1:T_5B:H6          1:T_5B:H2'1         2.900  4.200 50.00 50.00 1000.000
1:T_5B:H6          1:T_5B:H2'2         1.850  2.400 50.00 50.00 1000.000
1:T_5B:H6          1:T_5B:H3'          3.500  4.500 50.00 50.00 1000.000
1:T_5B:H1'         1:T_5B:H4'          2.800  3.500 50.00 50.00 1000.000
1:C_6B:H6          1:C_6B:H1'          3.200  3.900 50.00 50.00 1000.000
1:C_6B:H6          1:C_6B:H2'1         2.500  4.000 50.00 50.00 1000.000
1:C_6B:H6          1:C_6B:H2'2         1.900  2.500 50.00 50.00 1000.000
1:C_6B:H6          1:C_6B:H3'          3.400  4.500 50.00 50.00 1000.000
1:C_6B:H1'         1:C_6B:H4'          2.800  3.400 50.00 50.00 1000.000
1:C_1C:H6          1:C_1C:H1'          3.200  3.900 50.00 50.00 1000.000
1:C_1C:H6          1:C_1C:H2'1         3.000  4.200 50.00 50.00 1000.000
1:C_1C:H6          1:C_1C:H2'2         2.000  2.500 50.00 50.00 1000.000
1:C_1C:H6          1:C_1C:H3'          3.600  4.600 50.00 50.00 1000.000
1:C_1C:H1'         1:C_1C:H4'          2.700  3.400 50.00 50.00 1000.000
1:T_2C:H6          1:T_2C:H1'          3.200  3.900 50.00 50.00 1000.000
1:T_2C:H6          1:T_2C:H2'1         3.000  3.900 50.00 50.00 1000.000
1:T_2C:H6          1:T_2C:H2'2         1.900  2.400 50.00 50.00 1000.000
1:T_2C:H6          1:T_2C:H3'          3.400  4.500 50.00 50.00 1000.000
1:T_2C:H1'         1:T_2C:H4'          2.700  3.400 50.00 50.00 1000.000
1:CH_3C:H6         1:CH_3C:H1'         3.200  3.900 50.00 50.00 1000.000
1:CH_3C:H6         1:CH_3C:H2'1        3.000  4.500 50.00 50.00 1000.000
1:CH_3C:H6         1:CH_3C:H2'2        2.000  2.800 50.00 50.00 1000.000
1:CH_3C:H6         1:CH_3C:H3'         3.200  4.500 50.00 50.00 1000.000
1:CH_3C:H1'        1:CH_3C:H4'         2.800  3.300 50.00 50.00 1000.000
1:T_4C:H6          1:T_4C:H1'          3.200  3.900 50.00 50.00 1000.000
1:T_4C:H6          1:T_4C:H2'1         3.000  4.100 50.00 50.00 1000.000
1:T_4C:H6          1:T_4C:H2'2         2.000  2.500 50.00 50.00 1000.000
1:T_4C:H6          1:T_4C:H3'          3.000  4.500 50.00 50.00 1000.000
1:T_4C:H1'         1:T_4C:H4'          2.700  3.400 50.00 50.00 1000.000
1:C_5C:H6          1:C_5C:H1'          3.200  3.900 50.00 50.00 1000.000
1:C_5C:H6          1:C_5C:H2'1         3.000  4.300 50.00 50.00 1000.000
1:C_5C:H6          1:C_5C:H2'2         2.000  2.700 50.00 50.00 1000.000
1:C_5C:H6          1:C_5C:H3'          3.700  4.700 50.00 50.00 1000.000
1:C_5C:H1'         1:C_5C:H4'          2.700  3.500 50.00 50.00 1000.000
1:T_6C:H6          1:T_6C:H1'          3.200  3.900 50.00 50.00 1000.000
1:T_6C:H6          1:T_6C:H2'1         3.000  4.200 50.00 50.00 1000.000
1:T_6C:H6          1:T_6C:H2'2         2.000  2.500 50.00 50.00 1000.000
1:T_6C:H6          1:T_6C:H3'          3.500  4.600 50.00 50.00 1000.000
1:T_6C:H1'         1:T_6C:H4'          2.800  3.500 50.00 50.00 1000.000
1:T_6C:H2'1        1:T_6C:H4'          3.200  5.000 50.00 50.00 1000.000
! internucleotide
1:A_2:H8           1:G_1:H1'           3.000  5.000 50.00 50.00 1000.000
1:A_2:H8           1:G_1:H3'           4.000  6.000 50.00 50.00 1000.000
1:A_2:H8           1:G_1:H2'1          1.800  2.800 50.00 50.00 1000.000
1:A_2:H8           1:G_1:H2'2          2.500  4.500 50.00 50.00 1000.000
1:A_2:H2           1:G_3:H1'           4.000  6.000 50.00 50.00 1000.000
1:A_2:H2           1:A_2:H1'           4.000  6.000 50.00 50.00 1000.000
1:G_3:H8           1:A_4:H8            3.500  6.000 50.00 50.00 1000.000
1:G_3:H8           1:T_4C:H1'          4.000  6.000 50.00 50.00 1000.000
1:G_3:H8           1:A_2:H1'           3.000  5.000 50.00 50.00 1000.000
1:G_3:H8           1:A_2:H3'           4.000  6.000 50.00 50.00 1000.000
1:G_3:H8           1:A_2:H2'1          1.800  3.000 50.00 50.00 1000.000
1:G_3:H8           1:A_2:H2'2          1.800  3.000 50.00 50.00 1000.000
1:A_4:H8           1:T_4C:H1'          4.500  6.000 50.00 50.00 1000.000
1:A_4:H8           1:C_5C:H1'          3.500  5.000 50.00 50.00 1000.000
1:A_4:H8           1:G_3:H1'           3.200  5.000 50.00 50.00 1000.000
1:A_4:H8           1:G_3:H3'           3.500  6.000 50.00 50.00 1000.000
1:A_4:H8           1:G_3:H2'1          1.800  3.000 50.00 50.00 1000.000
1:A_4:H8           1:G_3:H2'2          2.500  4.500 50.00 50.00 1000.000
1:A_4:H2           1:C_4B:H1'          3.200  5.000 50.00 50.00 1000.000
1:A_4:H2           1:G_5:H1'           4.000  6.000 50.00 50.00 1000.000
1:G_5:H8           1:A_4:H8            3.500  6.000 50.00 50.00 1000.000
1:G_5:H8           1:T_6C:H1'          3.500  6.000 50.00 50.00 1000.000
1:G_5:H8           1:A_4:H1'           3.000  5.000 50.00 50.00 1000.000
1:G_5:H8           1:A_4:H3'           3.500  6.000 50.00 50.00 1000.000
1:G_5:H8           1:A_4:H2'1          1.800  3.000 50.00 50.00 1000.000
1:G_5:H8           1:A_4:H2'2          1.800  3.000 50.00 50.00 1000.000
1:A_6:H8           1:G_5:H8            3.800  5.000 50.00 50.00 1000.000
1:A_6:H8           1:G_5:H1'           3.500  5.000 50.00 50.00 1000.000
1:A_6:H8           1:G_5:H3'           3.700  5.000 50.00 50.00 1000.000
1:A_6:H8           1:G_5:H2'1          1.800  2.700 50.00 50.00 1000.000
1:A_6:H8           1:G_5:H2'2          2.700  4.500 50.00 50.00 1000.000
1:A_6:H2           1:C_2B:H1'          4.000  6.000 50.00 50.00 1000.000
1:A_6:H2           1:A_6:H1'           3.900  6.000 50.00 50.00 1000.000
1:T_1B:H6          1:C_2B:H5           4.000  6.000 50.00 50.00 1000.000
1:C_2B:H6          1:T_1B:H1'          3.300  5.000 50.00 50.00 1000.000
1:C_2B:H6          1:T_1B:H3'          3.800  5.000 50.00 50.00 1000.000
1:C_2B:H6          1:T_1B:H2'2         2.000  4.500 50.00 50.00 1000.000
1:T_3B:H6          1:C_2B:H1'          3.000  5.000 50.00 50.00 1000.000
1:T_3B:H6          1:C_2B:H3'          3.000  5.000 50.00 50.00 1000.000
1:T_3B:H6          1:C_2B:H2'2         1.800  3.500 50.00 50.00 1000.000
1:C_4B:H6          1:T_3B:H1'          3.000  5.000 50.00 50.00 1000.000
1:C_4B:H6          1:T_3B:H3'          3.000  5.000 50.00 50.00 1000.000
1:C_4B:H6          1:T_3B:H2'2         1.800  3.500 50.00 50.00 1000.000
1:C_4B:H6          1:T_3B:H2'1         1.800  3.500 50.00 50.00 1000.000
1:T_5B:H6          1:C_4B:H1'          3.000  5.000 50.00 50.00 1000.000
1:T_5B:H6          1:C_6B:H5           3.400  6.000 50.00 50.00 1000.000
1:T_5B:H6          1:C_4B:H3'          3.500  5.000 50.00 50.00 1000.000
1:T_5B:H6          1:C_4B:H2'2         2.500  4.500 50.00 50.00 1000.000
1:C_6B:H6          1:T_5B:H1'          3.000  5.000 50.00 50.00 1000.000
1:C_6B:H6          1:T_5B:H2'1         1.800  3.500 50.00 50.00 1000.000
1:A_2:H8           1:G_1:H8            3.500  5.500 50.00 50.00 1000.000
1:G_3:H8           1:A_2:H8            3.500  5.500 50.00 50.00 1000.000
1:T_3B:C5M         1:C_2B:H5           3.000  5.500 40.00 40.00 1000.000
1:T_3B:C5M         1:C_2B:H3'          3.000  5.500 40.00 40.00 1000.000
1:T_3B:C5M         1:C_2B:H2'2         3.000  5.500 40.00 40.00 1000.000
1:T_5B:C5M         1:C_4B:H5           3.000  5.500 40.00 40.00 1000.000
1:T_5B:C5M         1:C_4B:H3'          3.000  5.900 40.00 40.00 1000.000
1:T_5B:C5M         1:C_4B:H2'2         3.000  5.500 40.00 40.00 1000.000
1:T_2C:H6          1:C_1C:H1'          3.000  5.000 50.00 50.00 1000.000
1:T_2C:H6          1:CH_3C:H5          3.500  5.000 50.00 50.00 1000.000
1:T_2C:H6          1:C_1C:H3'          3.000  6.000 50.00 50.00 1000.000
1:T_2C:H6          1:C_1C:H2'1         1.800  3.500 50.00 50.00 1000.000
1:T_2C:H6          1:C_1C:H2'2         2.500  4.000 50.00 50.00 1000.000
1:CH_3C:H6         1:T_2C:H1'          3.000  4.000 50.00 50.00 1000.000
1:CH_3C:H6         1:T_2C:H3'          3.000  5.000 50.00 50.00 1000.000
1:CH_3C:H6         1:T_2C:H2'1         2.000  4.000 50.00 50.00 1000.000
1:T_4C:H6          1:CH_3C:H1'         3.500  5.000 50.00 50.00 1000.000
1:T_4C:H6          1:C_5C:H5           3.000  5.000 50.00 50.00 1000.000
1:T_4C:H6          1:CH_3C:H3'         3.000  5.000 50.00 50.00 1000.000
1:T_4C:H6          1:CH_3C:H2'1        2.000  3.500 50.00 50.00 1000.000
1:T_4C:H6          1:CH_3C:H2'2        2.000  4.000 50.00 50.00 1000.000
1:C_5C:H6          1:T_4C:H6           3.000  5.500 50.00 50.00 1000.000
1:C_5C:H6          1:T_4C:H1'          3.000  5.000 50.00 50.00 1000.000
1:C_5C:H6          1:T_4C:H3'          3.000  5.000 50.00 50.00 1000.000
1:C_5C:H6          1:T_4C:H2'1         1.800  3.000 50.00 50.00 1000.000
1:C_5C:H6          1:T_4C:H2'2         2.500  4.000 50.00 50.00 1000.000
1:T_6C:H6          1:C_5C:H1'          3.500  5.500 50.00 50.00 1000.000
1:T_6C:H6          1:C_5C:H3'          3.000  5.500 50.00 50.00 1000.000
1:T_6C:H6          1:C_5C:H2'1         2.000  3.500 50.00 50.00 1000.000
1:T_6C:H6          1:C_5C:H2'2         2.000  4.000 50.00 50.00 1000.000
!
1:CH_3C:H3         1:T_4C:H3           3.000  6.000 50.00 50.00 1000.000
1:CH_3C:H3         1:CH_3C:H42         1.800  4.000 50.00 50.00 1000.000
1:CH_3C:H3         1:CH_3C:H41         2.000  5.000 50.00 50.00 1000.000
1:CH_3C:H3         1:G_3:H8            2.500  5.000 50.00 50.00 1000.000
1:CH_3C:H3         1:T_2C:H3           3.000  6.000 50.00 50.00 1000.000
1:T_1B:H3          1:A_6:H2            2.300  2.900 50.00 50.00 1000.000
1:T_1B:H3          1:A_6:H61           2.300  2.900 50.00 50.00 1000.000
1:T_1B:H3          1:G_5:H1            3.000  5.000 50.00 50.00 1000.000
1:T_1B:H3          1:A_6:H62           3.000  5.000 50.00 50.00 1000.000
1:T_1B:H3          1:C_2B:H42          3.000  5.000 50.00 50.00 1000.000
1:T_5B:H3          1:A_2:H2            2.000  3.000 50.00 50.00 1000.000
1:T_5B:H3          1:G_3:H1            3.000  4.500 50.00 50.00 1000.000
1:T_5B:H3          1:G_1:H1            3.000  5.000 50.00 50.00 1000.000
1:T_5B:H3          1:A_2:H62           3.000  4.500 50.00 50.00 1000.000
1:T_5B:H3          1:C_4B:H42          3.000  6.000 50.00 50.00 1000.000
1:T_5B:H3          1:C_4B:H41          4.000  6.000 50.00 50.00 1000.000
1:T_5B:H3          1:A_2:H61           2.500  4.000 50.00 50.00 1000.000
1:T_5B:H3          1:C_6B:H42          4.000  6.000 50.00 50.00 1000.000
1:T_3B:H3          1:A_4:H2            2.300  2.900 50.00 50.00 1000.000
1:T_3B:H3          1:C_4B:H42          4.000  6.000 50.00 50.00 1000.000
1:T_3B:H3          1:A_4:H61           2.500  4.000 50.00 50.00 1000.000
1:T_3B:H3          1:C_4B:H41          4.000  6.000 50.00 50.00 1000.000
1:T_3B:H3          1:G_3:H1            3.000  5.000 50.00 50.00 1000.000
1:T_3B:H3          1:C_2B:H42          3.500  6.000 50.00 50.00 1000.000
1:T_3B:H3          1:G_5:H1            3.000  4.500 50.00 50.00 1000.000
1:T_4C:H3          1:A_4:H62           2.000  3.500 50.00 50.00 1000.000
1:T_4C:H3          1:A_4:H8            2.000  4.000 50.00 50.00 1000.000
1:T_4C:H3          1:A_4:H61           3.000  5.000 50.00 50.00 1000.000
1:T_4C:H3          1:C_5C:H42          3.000  6.000 50.00 50.00 1000.000
1:T_4C:H3          1:C_5C:H5           3.000  6.000 50.00 50.00 1000.000
1:T_4C:H3          1:G_3:H1'           3.000  6.000 50.00 50.00 1000.000
1:T_4C:H3          1:G_3:H2'1          3.000  6.000 50.00 50.00 1000.000
1:T_4C:H3          1:C_5C:H41          3.000  6.000 50.00 50.00 1000.000
1:T_4C:H3          1:G_3:H2'2          3.000  6.000 50.00 50.00 1000.000
1:T_2C:H3          1:C_1C:H1'          3.000  6.000 50.00 50.00 1000.000
1:T_2C:H3          1:T_2C:H1'          3.000  6.000 50.00 50.00 1000.000
1:T_2C:H3          1:G_1:H2'1          3.000  6.000 50.00 50.00 1000.000
1:T_2C:H3          1:CH_3C:H5          3.000  6.000 50.00 50.00 1000.000
1:T_2C:H3          1:G_1:H2'2          3.000  6.000 50.00 50.00 1000.000
1:T_2C:H3          1:A_2:H62           2.000  4.000 50.00 50.00 1000.000
1:T_2C:H3          1:A_2:H61           3.000  5.000 50.00 50.00 1000.000
1:T_2C:H3          1:A_2:H8            2.000  4.000 50.00 50.00 1000.000
1:T_2C:H3          1:CH_3C:H42         3.000  6.000 50.00 50.00 1000.000
1:G_5:H1           1:C_2B:H42          2.000  5.000 50.00 50.00 1000.000
1:G_5:H1           1:C_2B:H41          3.000  5.000 50.00 50.00 1000.000
1:G_5:H1           1:G_5:H1'           3.000  6.000 50.00 50.00 1000.000
1:G_5:H1           1:A_4:H61           3.000  4.500 50.00 50.00 1000.000
1:G_5:H1           1:A_6:H2            3.000  5.000 50.00 50.00 1000.000
1:G_5:H1           1:A_6:H61           3.000  5.000 50.00 50.00 1000.000
1:G_5:H1           1:C_2B:H5           3.000  6.000 50.00 50.00 1000.000
1:G_1:H1           1:A_2:H2            3.000  5.000 50.00 50.00 1000.000
1:G_1:H1           1:C_6B:H41          3.000  5.000 50.00 50.00 1000.000
1:G_1:H1           1:C_6B:H42          2.000  5.000 50.00 50.00 1000.000
1:T_6C:H3          1:A_6:H62           2.000  5.000 50.00 50.00 1000.000
1:T_6C:H3          1:A_6:H8            1.800  4.500 50.00 50.00 1000.000
1:T_6C:H3          1:G_5:H1'           3.000  6.000 50.00 50.00 1000.000
1:T_6C:H3          1:G_5:H2'2          3.000  6.000 50.00 50.00 1000.000
1:T_6C:H3          1:G_5:H2'1          3.000  6.000 50.00 50.00 1000.000
1:T_6C:H3          1:A_6:H1'           3.000  7.000 50.00 50.00 1000.000
1:G_3:H1           1:C_4B:H41          3.000  4.000 50.00 50.00 1000.000
1:G_3:H1           1:C_4B:H42          2.000  4.500 50.00 50.00 1000.000
1:G_3:H1           1:C_4B:H5           3.000  6.000 50.00 50.00 1000.000
1:G_3:H1           1:A_2:H62           3.000  5.000 50.00 50.00 1000.000
1:G_3:H1           1:A_2:H61           3.000  5.000 50.00 50.00 1000.000
1:G_3:H1           1:A_4:H2            3.000  5.000 50.00 50.00 1000.000
1:C_1C:H42         1:C_6B:H42          2.000  6.000 50.00 50.00 1000.000
1:CH_3C:H42        1:C_4B:H41          3.000  6.000 50.00 50.00 1000.000
1:CH_3C:H42        1:A_4:H62           2.000  4.000 50.00 50.00 1000.000
1:CH_3C:H42        1:C_4B:H42          3.000  5.000 50.00 50.00 1000.000
1:C_5C:H41         1:C_2B:H41          3.000  5.000 50.00 50.00 1000.000
1:C_5C:H41         1:C_2B:H42          3.000  6.000 50.00 50.00 1000.000
1:C_1C:H41         1:C_6B:H42          3.500  6.000 50.00 50.00 1000.000
1:CH_3C:H41        1:A_4:H62           3.000  5.000 50.00 50.00 1000.000
1:CH_3C:H41        1:A_2:H61           3.000  6.000 50.00 50.00 1000.000
1:CH_3C:H41        1:A_4:H61           3.000  6.000 50.00 50.00 1000.000
1:CH_3C:H41        1:C_4B:H42          3.000  6.000 50.00 50.00 1000.000
1:C_2B:H42         1:A_6:H61           3.000  6.000 50.00 50.00 1000.000
1:C_2B:H42         1:A_4:H61           3.000  5.000 50.00 50.00 1000.000
1:A_6:H2           1:C_2B:H41          3.000  5.000 50.00 50.00 1000.000
!								
#NMR_dihedral								
!								
!DELTA								
1:G_1:C5'	1:G_1:C4'	1:G_1:C3'	1:G_1:O3'	120	150	50     50	1000
1:A_2:C5'	1:A_2:C4'	1:A_2:C3'	1:A_2:O3'	120	150	50     50	1000
1:G_3:C5'	1:G_3:C4'	1:G_3:C3'	1:G_3:O3'	120	150	50     50	1000
1:A_4:C5'	1:A_4:C4'	1:A_4:C3'	1:A_4:O3'	125	155	50     50	1000
1:G_5:C5'	1:G_5:C4'	1:G_5:C3'	1:G_5:O3'	125	150	50     50	1000
1:A_6:C5'	1:A_6:C4'	1:A_6:C3'	1:A_6:O3'	110	155	50     50	1000
!								
1:T_1B:C5'	1:T_1B:C4'	1:T_1B:C3'	1:T_1B:O3'	115	155	50     50	1000
1:C_2B:C5'	1:C_2B:C4'	1:C_2B:C3'	1:C_2B:O3'	110	160	50     50	1000
1:T_3B:C5'	1:T_3B:C4'	1:T_3B:C3'	1:T_3B:O3'	110	150	50     50	1000
1:C_4B:C5'	1:C_4B:C4'	1:C_4B:C3'	1:C_4B:O3'	100	140	50     50	1000
1:T_5B:C5'	1:T_5B:C4'	1:T_5B:C3'	1:T_5B:O3'	110	150	50     50	1000
1:C_6B:C5'	1:C_6B:C4'	1:C_6B:C3'	1:C_6B:O3'	105	150	50     50	1000
!								
1:C_1C:C5'	1:C_1C:C4'	1:C_1C:C3'	1:C_1C:O3'	110	160	50     50	1000
1:T_2C:C5'	1:T_2C:C4'	1:T_2C:C3'	1:T_2C:O3'	110	150	50     50	1000
1:CH_3C:C5'	1:CH_3C:C4'	1:CH_3C:C3'	1:CH_3C:O3'	110	140	50     50	1000
1:T_4C:C5'	1:T_4C:C4'	1:T_4C:C3'	1:T_4C:O3'	120	155	50     50	1000
1:C_5C:C5'	1:C_5C:C4'	1:C_5C:C3'	1:C_5C:O3'	105	140     50     50	1000
1:T_6C:C5'	1:T_6C:C4'	1:T_6C:C3'	1:T_6C:O3'	115	150	50     50	1000
!								
!CHI								
1:G_1:O4'	1:G_1:C1'	1:G_1:N9	1:G_1:C4	-120	-100	50     50	1000
1:A_2:O4'	1:A_2:C1'	1:A_2:N9	1:A_2:C4	-135	-115	50     50	1000
1:G_3:O4'	1:G_3:C1'	1:G_3:N9	1:G_3:C4	-120	-100	50     50	1000
1:A_4:O4'	1:A_4:C1'	1:A_4:N9	1:A_4:C4	-145	-123	50     50	1000
1:G_5:O4'	1:G_5:C1'	1:G_5:N9	1:G_5:C4	-120	-99	50     50	1000
1:A_6:O4'	1:A_6:C1'	1:A_6:N9	1:A_6:C4	-120	-100	50     50	1000
!								
1:T_1B:O4'	1:T_1B:C1'	1:T_1B:N1	1:T_1B:C2	-120	-100	50     50	1000
1:C_2B:O4'	1:C_2B:C1'	1:C_2B:N1	1:C_2B:C2	-130	-105	50     50	1000
1:T_3B:O4'	1:T_3B:C1'	1:T_3B:N1	1:T_3B:C2	-130	-100	50     50	1000
1:C_4B:O4'	1:C_4B:C1'	1:C_4B:N1	1:C_4B:C2	-130	-110	50     50	1000
1:T_5B:O4'	1:T_5B:C1'	1:T_5B:N1	1:T_5B:C2	-120	-99	50     50	1000
1:C_6B:O4'	1:C_6B:C1'	1:C_6B:N1	1:C_6B:C2	-120	-99	50     50	1000
!								
1:C_1C:O4'	1:C_1C:C1'	1:C_1C:N1	1:C_1C:C2	-120	-100	50     50	1000
1:T_2C:O4'	1:T_2C:C1'	1:T_2C:N1	1:T_2C:C2	-115	-95	50     50	1000
1:CH_3C:O4'	1:CH_3C:C1'	1:CH_3C:N1	1:CH_3C:C2	-140	-110	50     50	1000
1:T_4C:O4'	1:T_4C:C1'	1:T_4C:N1	1:T_4C:C2	-125	-100	50     50	1000
1:C_5C:O4'	1:C_5C:C1'	1:C_5C:N1	1:C_5C:C2	-135	-110	50     50	1000
1:T_6C:O4'	1:T_6C:C1'	1:T_6C:N1	1:T_6C:C2	-130	-110	50     50	1000
!
! Gamma
1:G_1:O5'	1:G_1:C5'	1:G_1:C4'	1:G_1:C3'	20	100	50     50	1000
1:A_2:O5'	1:A_2:C5'	1:A_2:C4'	1:A_2:C3'	20	100	50     50	1000
1:G_3:O5'	1:G_3:C5'	1:G_3:C4'	1:G_3:C3'	20	100	50     50	1000
1:A_4:O5'	1:A_4:C5'	1:A_4:C4'	1:A_4:C3'	20	100	50     50	1000
1:G_5:O5'	1:G_5:C5'	1:G_5:C4'	1:G_5:C3'	20	100	50     50	1000
!								
1:C_2B:O5'	1:C_2B:C5'	1:C_2B:C4'	1:C_2B:C3'	20	100	50     50	1000
1:T_3B:O5'	1:T_3B:C5'	1:T_3B:C4'	1:T_3B:C3'	20	100	50     50	1000
1:C_4B:O5'	1:C_4B:C5'	1:C_4B:C4'	1:C_4B:C3'	20	100	50     50	1000
1:C_6B:O5'	1:C_6B:C5'	1:C_6B:C4'	1:C_6B:C3'	20	100	50     50	1000
!								
1:C_1C:O5'	1:C_1C:C5'	1:C_1C:C4'	1:C_1C:C3'	20	100	50     50	1000
1:T_2C:O5'	1:T_2C:C5'	1:T_2C:C4'	1:T_2C:C3'	20	100	50     50	1000
1:C_5C:O5'	1:C_5C:C5'	1:C_5C:C4'	1:C_5C:C3'	20	100	50     50	1000	
!


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1           H5'        G   1  -5.293 -10.484  -1.020
    2   2H5*    G   1          2H5'        G   1  -3.418 -11.586  -1.734
    3    H4*    G   1           H4'        G   1  -1.523 -10.175  -2.490
    4    H3*    G   1           H3'        G   1  -1.857 -11.094   0.102
    5   1H2*    G   1          1H2'        G   1  -1.102  -8.773   1.320
    6   2H2*    G   1          2H2'        G   1  -2.818  -9.035   0.887
    7    H1*    G   1           H1'        G   1  -0.689  -7.628  -0.767
    8    H8     G   1           H8         G   1  -4.541  -7.272  -0.231
    9    H1     G   1           H1         G   1  -1.100  -1.983   1.009
   10   1H2     G   1          1H2         G   1   1.610  -4.147   0.241
   11   2H2     G   1          2H2         G   1   1.169  -2.529   0.763
   12   1H5*    A   2          1H5'        A   2   1.968  -8.319  -0.490
   13   2H5*    A   2          2H5'        A   2   3.340  -9.190   0.217
   14    H4*    A   2           H4'        A   2   3.499  -6.801   0.520
   15    H3*    A   2           H3'        A   2   3.650  -8.665   2.767
   16   1H2*    A   2          1H2'        A   2   3.457  -6.303   4.281
   17   2H2*    A   2          2H2'        A   2   2.133  -7.471   4.070
   18    H1*    A   2           H1'        A   2   2.718  -4.971   2.448
   19    H8     A   2           H8         A   2  -0.440  -7.070   3.438
   20   1H6     A   2          1H6         A   2  -2.991  -1.561   4.613
   21   2H6     A   2          2H6         A   2  -3.230  -3.301   4.640
   22    H2     A   2           H2         A   2   1.312  -0.891   3.670
   23   1H5*    G   3          1H5'        G   3   5.885  -4.567   2.823
   24   2H5*    G   3          2H5'        G   3   7.418  -4.655   3.712
   25    H4*    G   3           H4'        G   3   6.106  -2.640   4.249
   26    H3*    G   3           H3'        G   3   7.097  -4.471   6.285
   27   1H2*    G   3          1H2'        G   3   5.270  -3.242   7.975
   28   2H2*    G   3          2H2'        G   3   4.958  -4.796   7.151
   29    H1*    G   3           H1'        G   3   4.280  -2.017   6.102
   30    H8     G   3           H8         G   3   2.644  -5.584   6.372
   31    H1     G   3           H1         G   3  -1.331  -0.638   7.409
   32   1H2     G   3          1H2         G   3   1.602   1.269   6.964
   33   2H2     G   3          2H2         G   3  -0.092   1.319   7.410
   34   1H5*    A   4          1H5'        A   4   6.452   0.214   7.095
   35   2H5*    A   4          2H5'        A   4   7.664   0.749   8.273
   36    H4*    A   4           H4'        A   4   5.517   1.853   8.542
   37    H3*    A   4           H3'        A   4   6.892   0.521  10.720
   38   1H2*    A   4          1H2'        A   4   4.442   0.680  12.038
   39   2H2*    A   4          2H2'        A   4   5.076  -0.815  11.309
   40    H1*    A   4           H1'        A   4   3.189   1.222  10.087
   41    H8     A   4           H8         A   4   3.858  -2.645   9.896
   42   1H6     A   4          1H6         A   4  -2.273  -3.119  10.348
   43   2H6     A   4          2H6         A   4  -0.745  -3.974  10.396
   44    H2     A   4           H2         A   4  -1.240   1.203  10.607
   45   1H5*    G   5          1H5'        G   5   3.935   4.209  11.920
   46   2H5*    G   5          2H5'        G   5   4.633   4.954  13.370
   47    H4*    G   5           H4'        G   5   2.217   4.716  13.538
   48    H3*    G   5           H3'        G   5   4.001   3.664  15.572
   49   1H2*    G   5          1H2'        G   5   1.908   2.052  16.369
   50   2H2*    G   5          2H2'        G   5   3.225   1.494  15.296
   51    H1*    G   5           H1'        G   5   0.546   2.674  14.444
   52    H8     G   5           H8         G   5   3.019  -0.242  13.444
   53    H1     G   5           H1         G   5  -3.163  -1.935  13.707
   54   1H2     G   5          1H2         G   5  -3.642   1.457  14.614
   55   2H2     G   5          2H2         G   5  -4.418  -0.104  14.412
   56   1H5*    A   6          1H5'        A   6  -0.524   4.376  16.505
   57   2H5*    A   6          2H5'        A   6  -0.722   5.039  18.140
   58    H4*    A   6           H4'        A   6  -2.435   3.385  17.696
   59    H3*    A   6           H3'        A   6  -0.615   3.110  19.951
   60   1H2*    A   6          1H2'        A   6  -1.379   0.466  20.027
   61   2H2*    A   6          2H2'        A   6   0.129   1.008  19.216
   62    H1*    A   6           H1'        A   6  -2.625   0.709  17.935
   63    H8     A   6           H8         A   6   1.117  -0.146  17.091
   64   1H6     A   6          1H6         A   6  -1.176  -5.688  15.435
   65   2H6     A   6          2H6         A   6   0.296  -4.763  15.705
   66    H2     A   6           H2         A   6  -4.550  -3.163  16.790
   67    H3T    A   6          3HO'        A   6  -2.551   2.279  20.870
   68   1H5*    T   8           H5'        T   1  -7.611 -11.475  18.443
   69   2H5*    T   8          2H5'        T   1  -8.552 -11.367  16.344
   70    H4*    T   8           H4'        T   1  -9.322  -9.159  18.304
   71    H3*    T   8           H3'        T   1 -10.051  -9.429  15.522
   72   1H2*    T   8          1H2'        T   1  -8.602  -7.124  15.046
   73   2H2*    T   8          2H2'        T   1  -7.973  -8.764  14.735
   74    H1*    T   8           H1'        T   1  -7.689  -7.126  17.299
   75    H3     T   8           H3         T   1  -3.543  -5.580  16.110
   76   1H5M    T   8          1H5M        T   1  -3.861  -9.920  13.319
   77   2H5M    T   8          2H5M        T   1  -2.337  -9.647  14.184
   78   3H5M    T   8          3H5M        T   1  -3.546 -10.748  14.861
   79    H6     T   8           H6         T   1  -5.852  -9.722  15.354
   80   1H5*    C   9          1H5'        C   2 -10.316  -4.895  17.314
   81   2H5*    C   9          2H5'        C   2 -11.771  -4.231  16.546
   82    H4*    C   9           H4'        C   2 -10.041  -2.572  16.678
   83    H3*    C   9           H3'        C   2 -11.226  -3.330  14.114
   84   1H2*    C   9          1H2'        C   2  -9.102  -1.935  13.017
   85   2H2*    C   9          2H2'        C   2  -9.216  -3.710  13.115
   86    H1*    C   9           H1'        C   2  -7.899  -1.807  15.093
   87   1H4     C   9          1H4         C   2  -3.164  -6.024  12.913
   88   2H4     C   9          2H4         C   2  -2.458  -4.437  13.021
   89    H5     C   9           H5         C   2  -5.612  -6.381  13.160
   90    H6     C   9           H6         C   2  -7.652  -5.340  13.931
   91   1H5*    T  10          1H5'        T   3  -9.521   1.024  14.941
   92   2H5*    T  10          2H5'        T   3 -10.543   2.210  14.104
   93    H4*    T  10           H4'        T   3  -8.147   2.799  14.025
   94    H3*    T  10           H3'        T   3  -9.840   2.603  11.663
   95   1H2*    T  10          1H2'        T   3  -7.441   2.541  10.257
   96   2H2*    T  10          2H2'        T   3  -8.444   1.116  10.610
   97    H1*    T  10           H1'        T   3  -6.127   2.223  12.268
   98    H3     T  10           H3         T   3  -3.112  -0.830  10.699
   99   1H5M    T  10          1H5M        T   3  -7.284  -3.357   9.490
  100   2H5M    T  10          2H5M        T   3  -6.423  -4.216  10.781
  101   3H5M    T  10          3H5M        T   3  -7.918  -3.334  11.145
  102    H6     T  10           H6         T   3  -7.863  -0.956  11.417
  103   1H5*    C  11          1H5'        C   4  -6.002   5.247  11.779
  104   2H5*    C  11          2H5'        C   4  -6.205   6.729  10.826
  105    H4*    C  11           H4'        C   4  -3.965   5.741  10.606
  106    H3*    C  11           H3'        C   4  -5.706   6.248   8.272
  107   1H2*    C  11          1H2'        C   4  -3.540   4.908   7.020
  108   2H2*    C  11          2H2'        C   4  -5.193   4.286   7.272
  109    H1*    C  11           H1'        C   4  -2.753   3.928   9.055
  110   1H4     C  11          1H4         C   4  -5.050  -2.070   7.050
  111   2H4     C  11          2H4         C   4  -3.322  -2.108   6.927
  112    H5     C  11           H5         C   4  -6.281  -0.056   7.847
  113    H6     C  11           H6         C   4  -6.026   2.249   8.530
  114   1H5*    T  12          1H5'        T   5  -1.508   8.524   5.256
  115   2H5*    T  12          2H5'        T   5  -2.395   7.089   4.696
  116    H4*    T  12           H4'        T   5   0.443   7.180   5.799
  117    H3*    T  12           H3'        T   5  -0.453   7.601   3.193
  118   1H2*    T  12          1H2'        T   5   0.104   5.089   2.338
  119   2H2*    T  12          2H2'        T   5  -1.504   5.517   2.966
  120    H1*    T  12           H1'        T   5   0.836   4.245   4.451
  121    H3     T  12           H3         T   5  -1.144   0.093   4.313
  122   1H5M    T  12          1H5M        T   5  -5.320   2.564   3.679
  123   2H5M    T  12          2H5M        T   5  -5.308   2.138   5.397
  124   3H5M    T  12          3H5M        T   5  -5.074   3.827   4.902
  125    H6     T  12           H6         T   5  -2.862   4.572   4.660
  126   1H5*    C  13          1H5'        C   6   3.305   4.879   3.411
  127   2H5*    C  13          2H5'        C   6   4.483   5.387   2.183
  128    H4*    C  13           H4'        C   6   4.376   2.951   2.369
  129    H3*    C  13           H3'        C   6   3.999   4.350  -0.152
  130   1H2*    C  13          1H2'        C   6   2.794   2.051  -1.083
  131   2H2*    C  13          2H2'        C   6   1.872   3.471  -0.499
  132    H1*    C  13           H1'        C   6   2.773   1.047   1.126
  133   1H4     C  13          1H4         C   6  -3.947   1.104   1.133
  134   2H4     C  13          2H4         C   6  -3.418  -0.569   1.107
  135    H5     C  13           H5         C   6  -2.340   2.979   1.021
  136    H6     C  13           H6         C   6   0.005   3.536   0.885
  137    H3T    C  13          3HO'        C   6   5.737   2.939   0.445
  138   1H5*    C  15           H5'        C   1 -11.211  -7.023   0.180
  139   2H5*    C  15           H7         C   1 -12.094  -7.802   1.514
  140    H4*    C  15           H4'        C   1  -9.804  -8.771   1.081
  141    H3*    C  15           H3'        C   1 -10.828  -7.849   3.666
  142   1H2*    C  15          1H2'        C   1  -8.054  -8.353   4.299
  143   2H2*    C  15          2H2'        C   1  -8.944  -6.794   4.372
  144    H1*    C  15           H1'        C   1  -7.156  -7.909   2.210
  145   1H4     C  15          1H4         C   1  -5.940  -1.438   3.368
  146   2H4     C  15          2H4         C   1  -4.438  -2.274   3.019
  147    H5     C  15           H5         C   1  -8.105  -2.658   3.184
  148    H6     C  15           H6         C   1  -9.092  -4.834   2.812
  149   1H5*    T  16          1H5'        T   2  -7.903 -11.439   3.603
  150   2H5*    T  16          2H5'        T   2  -8.177 -12.474   5.019
  151    H4*    T  16           H4'        T   2  -5.768 -12.001   4.488
  152    H3*    T  16           H3'        T   2  -6.976 -11.672   7.142
  153   1H2*    T  16          1H2'        T   2  -4.562 -10.344   7.659
  154   2H2*    T  16          2H2'        T   2  -6.149  -9.588   7.436
  155    H1*    T  16           H1'        T   2  -4.005 -10.148   5.331
  156    H3     T  16           H3         T   2  -2.594  -5.805   5.132
  157   1H5M    T  16          1H5M        T   2  -6.994  -5.120   7.609
  158   2H5M    T  16          2H5M        T   2  -6.842  -4.181   6.110
  159   3H5M    T  16          3H5M        T   2  -7.850  -5.636   6.141
  160    H6     T  16           H6         T   2  -6.800  -7.831   6.197
  161   1H5*    C  17          1H5'       CH   3  -2.566 -13.295   6.236
  162   2H5*    C  17          2H5'       CH   3  -1.971 -14.253   7.611
  163    H4*    C  17           H4'       CH   3  -0.213 -12.856   6.443
  164    H3*    C  17           H3'       CH   3  -0.801 -12.739   9.353
  165   1H2*    C  17          1H2'       CH   3   1.331 -10.791   8.824
  166   2H2*    C  17          2H2'       CH   3  -0.253 -10.548   9.630
  167    H1*    C  17           H1'       CH   3   0.607 -10.097   6.783
  168    H3     C  17           H3        CH   3  -0.422  -5.728   7.521
  169   1H4     C  17          1H4        CH   3  -3.661  -5.387   9.019
  170   2H4     C  17          2H4        CH   3  -2.298  -4.544   8.336
  171    H5     C  17           H5        CH   3  -3.732  -7.913   9.195
  172    H6     C  17           H6        CH   3  -2.532  -9.938   8.648
  173   1H5*    T  18          1H5'        T   4   3.630 -12.266   8.089
  174   2H5*    T  18          2H5'        T   4   4.654 -12.908   9.391
  175    H4*    T  18           H4'        T   4   5.410 -10.655   8.544
  176    H3*    T  18           H3'        T   4   4.643 -11.148  11.391
  177   1H2*    T  18          1H2'        T   4   5.554  -8.387  11.131
  178   2H2*    T  18          2H2'        T   4   4.031  -9.048  11.792
  179    H1*    T  18           H1'        T   4   4.697  -8.034   9.026
  180    H3     T  18           H3         T   4   1.610  -4.745  10.026
  181   1H5M    T  18          1H5M        T   4  -1.469  -8.211  11.302
  182   2H5M    T  18          2H5M        T   4  -0.381  -9.556  11.707
  183   3H5M    T  18          3H5M        T   4  -0.497  -8.148  12.780
  184    H6     T  18           H6         T   4   1.790  -9.499  10.789
  185   1H5*    C  19          1H5'        C   5   8.457  -8.442  10.823
  186   2H5*    C  19          2H5'        C   5   9.557  -8.767  12.179
  187    H4*    C  19           H4'        C   5   9.235  -6.355  11.784
  188    H3*    C  19           H3'        C   5   8.688  -7.626  14.379
  189   1H2*    C  19          1H2'        C   5   7.592  -5.078  14.884
  190   2H2*    C  19          2H2'        C   5   6.680  -6.590  14.632
  191    H1*    C  19           H1'        C   5   7.491  -4.477  12.586
  192   1H4     C  19          1H4         C   5   0.749  -4.894  13.074
  193   2H4     C  19          2H4         C   5   1.229  -3.211  13.097
  194    H5     C  19           H5         C   5   2.522  -6.710  13.142
  195    H6     C  19           H6         C   5   4.911  -7.107  13.063
  196   1H5*    T  20          1H5'        T   6   9.844  -3.174  14.355
  197   2H5*    T  20          2H5'        T   6  10.850  -2.717  15.743
  198    H4*    T  20           H4'        T   6   9.027  -1.104  15.315
  199    H3*    T  20           H3'        T   6   9.333  -2.475  17.919
  200   1H2*    T  20          1H2'        T   6   6.878  -1.119  18.312
  201   2H2*    T  20          2H2'        T   6   7.125  -2.881  18.204
  202    H1*    T  20           H1'        T   6   6.347  -0.915  16.010
  203    H3     T  20           H3         T   6   2.087  -2.659  16.054
  204   1H5M    T  20          1H5M        T   6   3.974  -6.779  17.571
  205   2H5M    T  20          2H5M        T   6   4.209  -7.012  15.832
  206   3H5M    T  20          3H5M        T   6   5.612  -6.738  16.887
  207    H6     T  20           H6         T   6   6.453  -4.563  16.686
  208    H3T    T  20          3HO'        T   6  10.052  -0.339  17.409
   
  No H/Q in entry =         208
  Start of MODEL    2
    1   1H5*    G   1           H5'        G   1  -5.242 -10.321  -1.155
    2   2H5*    G   1          2H5'        G   1  -3.391 -11.393  -1.968
    3    H4*    G   1           H4'        G   1  -1.524  -9.953  -2.738
    4    H3*    G   1           H3'        G   1  -1.772 -10.958  -0.168
    5   1H2*    G   1          1H2'        G   1  -0.980  -8.677   1.100
    6   2H2*    G   1          2H2'        G   1  -2.709  -8.932   0.719
    7    H1*    G   1           H1'        G   1  -0.643  -7.454  -0.954
    8    H8     G   1           H8         G   1  -4.482  -7.151  -0.291
    9    H1     G   1           H1         G   1  -1.054  -1.863   0.987
   10   1H2     G   1          1H2         G   1   1.653  -3.973   0.071
   11   2H2     G   1          2H2         G   1   1.209  -2.374   0.647
   12   1H5*    A   2          1H5'        A   2   2.065  -8.182  -0.787
   13   2H5*    A   2          2H5'        A   2   3.446  -9.075  -0.126
   14    H4*    A   2           H4'        A   2   3.609  -6.690   0.248
   15    H3*    A   2           H3'        A   2   3.807  -8.627   2.426
   16   1H2*    A   2          1H2'        A   2   3.594  -6.333   4.037
   17   2H2*    A   2          2H2'        A   2   2.280  -7.501   3.780
   18    H1*    A   2           H1'        A   2   2.844  -4.933   2.255
   19    H8     A   2           H8         A   2  -0.264  -7.106   3.244
   20   1H6     A   2          1H6         A   2  -2.857  -1.686   4.715
   21   2H6     A   2          2H6         A   2  -3.075  -3.429   4.686
   22    H2     A   2           H2         A   2   1.379  -0.904   3.595
   23   1H5*    G   3          1H5'        G   3   5.960  -4.503   2.652
   24   2H5*    G   3          2H5'        G   3   7.495  -4.593   3.537
   25    H4*    G   3           H4'        G   3   6.143  -2.645   4.174
   26    H3*    G   3           H3'        G   3   7.136  -4.567   6.135
   27   1H2*    G   3          1H2'        G   3   5.290  -3.403   7.855
   28   2H2*    G   3          2H2'        G   3   4.995  -4.926   6.971
   29    H1*    G   3           H1'        G   3   4.316  -2.114   6.018
   30    H8     G   3           H8         G   3   2.695  -5.694   6.167
   31    H1     G   3           H1         G   3  -1.297  -0.817   7.448
   32   1H2     G   3          1H2         G   3   1.590   1.137   6.915
   33   2H2     G   3          2H2         G   3  -0.088   1.158   7.422
   34   1H5*    A   4          1H5'        A   4   6.389   0.039   6.992
   35   2H5*    A   4          2H5'        A   4   7.592   0.615   8.159
   36    H4*    A   4           H4'        A   4   5.442   1.707   8.399
   37    H3*    A   4           H3'        A   4   6.811   0.410  10.608
   38   1H2*    A   4          1H2'        A   4   4.349   0.628  11.910
   39   2H2*    A   4          2H2'        A   4   4.984  -0.891  11.234
   40    H1*    A   4           H1'        A   4   3.105   1.108   9.938
   41    H8     A   4           H8         A   4   3.775  -2.754   9.763
   42   1H6     A   4          1H6         A   4  -2.336  -3.246  10.534
   43   2H6     A   4          2H6         A   4  -0.803  -4.094  10.491
   44    H2     A   4           H2         A   4  -1.303   1.086  10.627
   45   1H5*    G   5          1H5'        G   5   3.878   4.112  11.713
   46   2H5*    G   5          2H5'        G   5   4.593   4.917  13.122
   47    H4*    G   5           H4'        G   5   2.187   4.691  13.344
   48    H3*    G   5           H3'        G   5   4.004   3.680  15.375
   49   1H2*    G   5          1H2'        G   5   1.913   2.111  16.255
   50   2H2*    G   5          2H2'        G   5   3.206   1.512  15.175
   51    H1*    G   5           H1'        G   5   0.523   2.689  14.340
   52    H8     G   5           H8         G   5   2.940  -0.280  13.369
   53    H1     G   5           H1         G   5  -3.254  -1.886  13.864
   54   1H2     G   5          1H2         G   5  -3.653   1.539  14.680
   55   2H2     G   5          2H2         G   5  -4.464  -0.010  14.540
   56   1H5*    A   6          1H5'        A   6  -0.498   4.522  16.395
   57   2H5*    A   6          2H5'        A   6  -0.625   5.237  18.015
   58    H4*    A   6           H4'        A   6  -2.396   3.621  17.678
   59    H3*    A   6           H3'        A   6  -0.502   3.359  19.876
   60   1H2*    A   6          1H2'        A   6  -1.345   0.745  20.060
   61   2H2*    A   6          2H2'        A   6   0.153   1.216  19.187
   62    H1*    A   6           H1'        A   6  -2.646   0.957  17.998
   63    H8     A   6           H8         A   6   1.037  -0.014  17.026
   64   1H6     A   6          1H6         A   6  -1.454  -5.583  15.767
   65   2H6     A   6          2H6         A   6   0.042  -4.663  15.846
   66    H2     A   6           H2         A   6  -4.695  -2.917  17.160
   67    H3T    A   6          3HO'        A   6  -3.178   2.446  19.516
   68   1H5*    T   8           H5'        T   1  -8.729 -10.629  15.843
   69   2H5*    T   8          2H5'        T   1 -10.130 -11.052  17.602
   70    H4*    T   8           H4'        T   1  -9.792  -8.938  18.850
   71    H3*    T   8           H3'        T   1 -10.405  -9.102  16.122
   72   1H2*    T   8          1H2'        T   1  -8.901  -6.911  15.487
   73   2H2*    T   8          2H2'        T   1  -8.245  -8.564  15.381
   74    H1*    T   8           H1'        T   1  -8.063  -6.620  17.726
   75    H3     T   8           H3         T   1  -3.812  -5.362  16.547
   76   1H5M    T   8          1H5M        T   1  -4.241  -9.926  14.173
   77   2H5M    T   8          2H5M        T   1  -2.723  -9.629  15.041
   78   3H5M    T   8          3H5M        T   1  -3.986 -10.621  15.789
   79    H6     T   8           H6         T   1  -6.242  -9.489  16.190
   80   1H5*    C   9          1H5'        C   2 -10.496  -4.469  17.724
   81   2H5*    C   9          2H5'        C   2 -11.930  -3.798  16.923
   82    H4*    C   9           H4'        C   2 -10.156  -2.198  16.954
   83    H3*    C   9           H3'        C   2 -11.342  -3.069  14.422
   84   1H2*    C   9          1H2'        C   2  -9.177  -1.789  13.273
   85   2H2*    C   9          2H2'        C   2  -9.335  -3.552  13.466
   86    H1*    C   9           H1'        C   2  -7.988  -1.577  15.349
   87   1H4     C   9          1H4         C   2  -3.331  -5.981  13.432
   88   2H4     C   9          2H4         C   2  -2.633  -4.389  13.287
   89    H5     C   9           H5         C   2  -5.791  -6.295  13.682
   90    H6     C   9           H6         C   2  -7.803  -5.181  14.423
   91   1H5*    T  10          1H5'        T   3  -9.486   1.233  15.059
   92   2H5*    T  10          2H5'        T   3 -10.472   2.426  14.190
   93    H4*    T  10           H4'        T   3  -8.060   2.941  14.090
   94    H3*    T  10           H3'        T   3  -9.768   2.736  11.749
   95   1H2*    T  10          1H2'        T   3  -7.398   2.524  10.316
   96   2H2*    T  10          2H2'        T   3  -8.440   1.145  10.742
   97    H1*    T  10           H1'        T   3  -6.072   2.247  12.329
   98    H3     T  10           H3         T   3  -3.158  -0.932  10.816
   99   1H5M    T  10          1H5M        T   3  -6.527  -4.240  11.187
  100   2H5M    T  10          2H5M        T   3  -8.004  -3.306  11.491
  101   3H5M    T  10          3H5M        T   3  -7.373  -3.457   9.841
  102    H6     T  10           H6         T   3  -7.892  -0.925  11.643
  103   1H5*    C  11          1H5'        C   4  -5.794   5.334  11.570
  104   2H5*    C  11          2H5'        C   4  -6.093   6.751  10.542
  105    H4*    C  11           H4'        C   4  -3.882   5.818  10.140
  106    H3*    C  11           H3'        C   4  -5.859   6.104   7.996
  107   1H2*    C  11          1H2'        C   4  -4.063   4.508   6.588
  108   2H2*    C  11          2H2'        C   4  -5.599   3.945   7.291
  109    H1*    C  11           H1'        C   4  -2.825   3.918   8.570
  110   1H4     C  11          1H4         C   4  -4.998  -2.334   7.300
  111   2H4     C  11          2H4         C   4  -3.278  -2.337   7.079
  112    H5     C  11           H5         C   4  -6.238  -0.334   8.078
  113    H6     C  11           H6         C   4  -6.032   2.018   8.587
  114   1H5*    T  12          1H5'        T   5  -1.176   6.999   7.459
  115   2H5*    T  12          2H5'        T   5  -1.032   8.290   6.251
  116    H4*    T  12           H4'        T   5   0.886   6.700   6.254
  117    H3*    T  12           H3'        T   5  -0.386   7.688   3.957
  118   1H2*    T  12          1H2'        T   5  -0.149   5.345   2.599
  119   2H2*    T  12          2H2'        T   5  -1.598   5.749   3.536
  120    H1*    T  12           H1'        T   5   0.857   4.171   4.444
  121    H3     T  12           H3         T   5  -1.050   0.005   4.373
  122   1H5M    T  12          1H5M        T   5  -5.073   3.686   4.563
  123   2H5M    T  12          2H5M        T   5  -5.266   2.154   3.690
  124   3H5M    T  12          3H5M        T   5  -5.257   2.161   5.459
  125    H6     T  12           H6         T   5  -2.863   4.443   4.687
  126   1H5*    C  13          1H5'        C   6   3.390   4.919   3.539
  127   2H5*    C  13          2H5'        C   6   4.447   5.533   2.252
  128    H4*    C  13           H4'        C   6   4.442   3.074   2.338
  129    H3*    C  13           H3'        C   6   3.903   4.588  -0.067
  130   1H2*    C  13          1H2'        C   6   2.645   2.337  -1.061
  131   2H2*    C  13          2H2'        C   6   1.760   3.708  -0.326
  132    H1*    C  13           H1'        C   6   2.790   1.202   1.083
  133   1H4     C  13          1H4         C   6  -3.934   1.191   1.324
  134   2H4     C  13          2H4         C   6  -3.397  -0.474   1.186
  135    H5     C  13           H5         C   6  -2.342   3.081   1.338
  136    H6     C  13           H6         C   6  -0.001   3.667   1.206
  137    H3T    C  13          3HO'        C   6   5.004   2.837  -0.971
  138   1H5*    C  15           H5'        C   1 -11.148  -6.925   0.378
  139   2H5*    C  15           H7         C   1 -11.978  -7.769   1.706
  140    H4*    C  15           H4'        C   1  -9.710  -8.716   1.138
  141    H3*    C  15           H3'        C   1 -10.628  -7.922   3.802
  142   1H2*    C  15          1H2'        C   1  -7.832  -8.435   4.304
  143   2H2*    C  15          2H2'        C   1  -8.721  -6.884   4.479
  144    H1*    C  15           H1'        C   1  -7.012  -7.895   2.205
  145   1H4     C  15          1H4         C   1  -5.787  -1.460   3.544
  146   2H4     C  15          2H4         C   1  -4.297  -2.275   3.117
  147    H5     C  15           H5         C   1  -7.952  -2.694   3.418
  148    H6     C  15           H6         C   1  -8.941  -4.862   3.009
  149   1H5*    T  16          1H5'        T   2  -7.721 -11.516   3.422
  150   2H5*    T  16          2H5'        T   2  -7.919 -12.616   4.801
  151    H4*    T  16           H4'        T   2  -5.537 -12.109   4.153
  152    H3*    T  16           H3'        T   2  -6.610 -11.828   6.894
  153   1H2*    T  16          1H2'        T   2  -3.978 -10.774   7.174
  154   2H2*    T  16          2H2'        T   2  -5.519  -9.907   7.322
  155    H1*    T  16           H1'        T   2  -3.716 -10.275   4.893
  156    H3     T  16           H3         T   2  -2.367  -5.921   5.059
  157   1H5M    T  16          1H5M        T   2  -7.583  -6.041   6.476
  158   2H5M    T  16          2H5M        T   2  -6.554  -5.308   7.726
  159   3H5M    T  16          3H5M        T   2  -6.711  -4.536   6.135
  160    H6     T  16           H6         T   2  -6.476  -8.122   6.159
  161   1H5*    C  17          1H5'       CH   3  -2.304 -13.479   5.841
  162   2H5*    C  17          2H5'       CH   3  -1.654 -14.512   7.134
  163    H4*    C  17           H4'       CH   3   0.018 -12.931   6.076
  164    H3*    C  17           H3'       CH   3  -0.534 -13.072   8.994
  165   1H2*    C  17          1H2'       CH   3   1.484 -10.980   8.623
  166   2H2*    C  17          2H2'       CH   3  -0.124 -10.873   9.408
  167    H1*    C  17           H1'       CH   3   0.751 -10.258   6.582
  168    H3     C  17           H3        CH   3  -0.310  -5.917   7.415
  169   1H4     C  17          1H4        CH   3  -3.442  -5.633   9.130
  170   2H4     C  17          2H4        CH   3  -2.126  -4.767   8.385
  171    H5     C  17           H5        CH   3  -3.505  -8.163   9.222
  172    H6     C  17           H6        CH   3  -2.315 -10.165   8.580
  173   1H5*    T  18          1H5'        T   4   3.868 -12.268   7.764
  174   2H5*    T  18          2H5'        T   4   4.923 -12.914   9.039
  175    H4*    T  18           H4'        T   4   5.546 -10.584   8.337
  176    H3*    T  18           H3'        T   4   4.721 -11.218  11.149
  177   1H2*    T  18          1H2'        T   4   5.562  -8.419  10.958
  178   2H2*    T  18          2H2'        T   4   4.057  -9.133  11.599
  179    H1*    T  18           H1'        T   4   4.721  -8.065   8.850
  180    H3     T  18           H3         T   4   1.591  -4.848   9.923
  181   1H5M    T  18          1H5M        T   4  -0.249  -8.570  12.669
  182   2H5M    T  18          2H5M        T   4  -1.417  -8.186  11.396
  183   3H5M    T  18          3H5M        T   4  -0.473  -9.688  11.310
  184    H6     T  18           H6         T   4   1.829  -9.615  10.568
  185   1H5*    C  19          1H5'        C   5   8.453  -8.367  10.752
  186   2H5*    C  19          2H5'        C   5   9.527  -8.691  12.128
  187    H4*    C  19           H4'        C   5   9.155  -6.289  11.780
  188    H3*    C  19           H3'        C   5   8.532  -7.624  14.332
  189   1H2*    C  19          1H2'        C   5   7.438  -5.065  14.833
  190   2H2*    C  19          2H2'        C   5   6.531  -6.579  14.564
  191    H1*    C  19           H1'        C   5   7.362  -4.452  12.544
  192   1H4     C  19          1H4         C   5   0.623  -4.918  12.878
  193   2H4     C  19          2H4         C   5   1.096  -3.240  13.070
  194    H5     C  19           H5         C   5   2.408  -6.735  12.948
  195    H6     C  19           H6         C   5   4.796  -7.118  12.858
  196   1H5*    T  20          1H5'        T   6   9.710  -3.179  14.429
  197   2H5*    T  20          2H5'        T   6  10.686  -2.759  15.850
  198    H4*    T  20           H4'        T   6   8.892  -1.120  15.406
  199    H3*    T  20           H3'        T   6   9.133  -2.529  17.991
  200   1H2*    T  20          1H2'        T   6   6.673  -1.189  18.370
  201   2H2*    T  20          2H2'        T   6   6.917  -2.948  18.208
  202    H1*    T  20           H1'        T   6   6.202  -0.910  16.057
  203    H3     T  20           H3         T   6   1.911  -2.583  16.045
  204   1H5M    T  20          1H5M        T   6   3.997  -6.961  15.657
  205   2H5M    T  20          2H5M        T   6   5.365  -6.741  16.769
  206   3H5M    T  20          3H5M        T   6   3.704  -6.787  17.394
  207    H6     T  20           H6         T   6   6.246  -4.578  16.610
  208    H3T    T  20          3HO'        T   6   8.394   0.124  17.268
   
  No H/Q in entry =         208
  Start of MODEL    3
    1   1H5*    G   1           H5'        G   1  -4.922  -8.564  -1.203
    2   2H5*    G   1          2H5'        G   1  -3.819 -10.987  -2.192
    3    H4*    G   1           H4'        G   1  -1.877  -9.568  -2.766
    4    H3*    G   1           H3'        G   1  -2.332 -10.670  -0.247
    5   1H2*    G   1          1H2'        G   1  -1.439  -8.487   1.126
    6   2H2*    G   1          2H2'        G   1  -3.168  -8.616   0.674
    7    H1*    G   1           H1'        G   1  -0.953  -7.242  -0.893
    8    H8     G   1           H8         G   1  -4.771  -6.651  -0.278
    9    H1     G   1           H1         G   1  -0.954  -1.623   0.959
   10   1H2     G   1          1H2         G   1   1.590  -3.979   0.195
   11   2H2     G   1          2H2         G   1   1.266  -2.343   0.742
   12   1H5*    A   2          1H5'        A   2   1.785  -8.272  -0.712
   13   2H5*    A   2          2H5'        A   2   3.062  -9.251   0.033
   14    H4*    A   2           H4'        A   2   3.320  -6.827   0.365
   15    H3*    A   2           H3'        A   2   3.416  -8.767   2.550
   16   1H2*    A   2          1H2'        A   2   3.276  -6.435   4.126
   17   2H2*    A   2          2H2'        A   2   1.939  -7.582   3.902
   18    H1*    A   2           H1'        A   2   2.537  -5.042   2.350
   19    H8     A   2           H8         A   2  -0.609  -7.205   3.223
   20   1H6     A   2          1H6         A   2  -3.205  -1.733   4.550
   21   2H6     A   2          2H6         A   2  -3.571  -3.414   4.197
   22    H2     A   2           H2         A   2   1.088  -1.035   3.764
   23   1H5*    G   3          1H5'        G   3   5.722  -4.719   2.700
   24   2H5*    G   3          2H5'        G   3   7.256  -4.844   3.581
   25    H4*    G   3           H4'        G   3   5.978  -2.810   4.136
   26    H3*    G   3           H3'        G   3   6.981  -4.649   6.148
   27   1H2*    G   3          1H2'        G   3   5.164  -3.465   7.873
   28   2H2*    G   3          2H2'        G   3   4.841  -4.999   7.016
   29    H1*    G   3           H1'        G   3   4.162  -2.194   6.040
   30    H8     G   3           H8         G   3   2.528  -5.766   6.248
   31    H1     G   3           H1         G   3  -1.466  -0.857   7.366
   32   1H2     G   3          1H2         G   3   1.447   1.080   6.912
   33   2H2     G   3          2H2         G   3  -0.245   1.112   7.366
   34   1H5*    A   4          1H5'        A   4   6.360   0.041   6.941
   35   2H5*    A   4          2H5'        A   4   7.584   0.583   8.104
   36    H4*    A   4           H4'        A   4   5.437   1.714   8.349
   37    H3*    A   4           H3'        A   4   6.830   0.443  10.551
   38   1H2*    A   4          1H2'        A   4   4.392   0.645  11.887
   39   2H2*    A   4          2H2'        A   4   5.019  -0.870  11.196
   40    H1*    A   4           H1'        A   4   3.119   1.128   9.931
   41    H8     A   4           H8         A   4   3.802  -2.738   9.823
   42   1H6     A   4          1H6         A   4  -2.327  -3.231  10.337
   43   2H6     A   4          2H6         A   4  -0.795  -4.080  10.416
   44    H2     A   4           H2         A   4  -1.308   1.100  10.489
   45   1H5*    G   5          1H5'        G   5   3.884   4.163  11.659
   46   2H5*    G   5          2H5'        G   5   4.590   4.956  13.079
   47    H4*    G   5           H4'        G   5   2.175   4.720  13.268
   48    H3*    G   5           H3'        G   5   3.972   3.744  15.327
   49   1H2*    G   5          1H2'        G   5   1.890   2.151  16.190
   50   2H2*    G   5          2H2'        G   5   3.202   1.562  15.127
   51    H1*    G   5           H1'        G   5   0.515   2.706  14.254
   52    H8     G   5           H8         G   5   2.986  -0.239  13.337
   53    H1     G   5           H1         G   5  -3.192  -1.927  13.687
   54   1H2     G   5          1H2         G   5  -3.670   1.491  14.489
   55   2H2     G   5          2H2         G   5  -4.445  -0.077  14.346
   56   1H5*    A   6          1H5'        A   6  -0.551   4.463  16.268
   57   2H5*    A   6          2H5'        A   6  -0.741   5.176  17.883
   58    H4*    A   6           H4'        A   6  -2.444   3.498  17.507
   59    H3*    A   6           H3'        A   6  -0.600   3.302  19.753
   60   1H2*    A   6          1H2'        A   6  -1.356   0.661  19.919
   61   2H2*    A   6          2H2'        A   6   0.145   1.181  19.080
   62    H1*    A   6           H1'        A   6  -2.618   0.830  17.829
   63    H8     A   6           H8         A   6   1.123  -0.032  16.989
   64   1H6     A   6          1H6         A   6  -1.153  -5.627  15.499
   65   2H6     A   6          2H6         A   6   0.316  -4.687  15.729
   66    H2     A   6           H2         A   6  -4.531  -3.082  16.806
   67    H3T    A   6          3HO'        A   6  -2.870   3.738  19.831
   68   1H5*    T   8           H5'        T   1  -8.615 -12.498  18.545
   69   2H5*    T   8          2H5'        T   1  -8.500 -11.312  16.585
   70    H4*    T   8           H4'        T   1  -9.284  -9.050  18.477
   71    H3*    T   8           H3'        T   1 -10.016  -9.413  15.707
   72   1H2*    T   8          1H2'        T   1  -8.579  -7.119  15.151
   73   2H2*    T   8          2H2'        T   1  -7.940  -8.765  14.897
   74    H1*    T   8           H1'        T   1  -7.667  -7.039  17.404
   75    H3     T   8           H3         T   1  -3.528  -5.505  16.167
   76   1H5M    T   8          1H5M        T   1  -3.505 -10.711  15.083
   77   2H5M    T   8          2H5M        T   1  -3.812  -9.930  13.515
   78   3H5M    T   8          3H5M        T   1  -2.295  -9.626  14.381
   79    H6     T   8           H6         T   1  -5.812  -9.683  15.544
   80   1H5*    C   9          1H5'        C   2 -10.307  -4.854  17.412
   81   2H5*    C   9          2H5'        C   2 -11.767  -4.206  16.641
   82    H4*    C   9           H4'        C   2 -10.036  -2.533  16.767
   83    H3*    C   9           H3'        C   2 -11.257  -3.288  14.226
   84   1H2*    C   9          1H2'        C   2  -9.137  -1.948  13.072
   85   2H2*    C   9          2H2'        C   2  -9.260  -3.720  13.216
   86    H1*    C   9           H1'        C   2  -7.916  -1.779  15.140
   87   1H4     C   9          1H4         C   2  -3.203  -6.029  12.972
   88   2H4     C   9          2H4         C   2  -2.492  -4.443  13.060
   89    H5     C   9           H5         C   2  -5.647  -6.381  13.249
   90    H6     C   9           H6         C   2  -7.679  -5.326  14.023
   91   1H5*    T  10          1H5'        T   3  -9.456   1.046  14.970
   92   2H5*    T  10          2H5'        T   3 -10.478   2.238  14.143
   93    H4*    T  10           H4'        T   3  -8.076   2.791  14.003
   94    H3*    T  10           H3'        T   3  -9.826   2.600  11.688
   95   1H2*    T  10          1H2'        T   3  -7.470   2.467  10.217
   96   2H2*    T  10          2H2'        T   3  -8.486   1.062  10.622
   97    H1*    T  10           H1'        T   3  -6.113   2.166  12.202
   98    H3     T  10           H3         T   3  -3.166  -0.931  10.610
   99   1H5M    T  10          1H5M        T   3  -6.475  -4.302  10.806
  100   2H5M    T  10          2H5M        T   3  -7.938  -3.422  11.281
  101   3H5M    T  10          3H5M        T   3  -7.426  -3.434   9.585
  102    H6     T  10           H6         T   3  -7.895  -1.014  11.448
  103   1H5*    C  11          1H5'        C   4  -5.907   5.238  11.499
  104   2H5*    C  11          2H5'        C   4  -6.216   6.676  10.505
  105    H4*    C  11           H4'        C   4  -4.009   5.742  10.064
  106    H3*    C  11           H3'        C   4  -5.986   6.128   7.950
  107   1H2*    C  11          1H2'        C   4  -4.317   4.488   6.463
  108   2H2*    C  11          2H2'        C   4  -5.825   3.947   7.239
  109    H1*    C  11           H1'        C   4  -3.001   3.885   8.407
  110   1H4     C  11          1H4         C   4  -5.170  -2.352   7.068
  111   2H4     C  11          2H4         C   4  -3.450  -2.384   6.903
  112    H5     C  11           H5         C   4  -6.413  -0.364   7.859
  113    H6     C  11           H6         C   4  -6.213   1.979   8.399
  114   1H5*    T  12          1H5'        T   5  -1.286   7.007   7.428
  115   2H5*    T  12          2H5'        T   5  -1.109   8.273   6.198
  116    H4*    T  12           H4'        T   5   0.782   6.643   6.274
  117    H3*    T  12           H3'        T   5  -0.371   7.644   3.932
  118   1H2*    T  12          1H2'        T   5  -0.290   5.294   2.599
  119   2H2*    T  12          2H2'        T   5  -1.694   5.750   3.571
  120    H1*    T  12           H1'        T   5   0.735   4.118   4.461
  121    H3     T  12           H3         T   5  -1.212  -0.036   4.349
  122   1H5M    T  12          1H5M        T   5  -5.415   2.186   5.288
  123   2H5M    T  12          2H5M        T   5  -5.191   3.687   4.362
  124   3H5M    T  12          3H5M        T   5  -5.377   2.137   3.520
  125    H6     T  12           H6         T   5  -2.984   4.419   4.650
  126   1H5*    C  13          1H5'        C   6   3.484   4.920   3.957
  127   2H5*    C  13          2H5'        C   6   4.628   5.524   2.743
  128    H4*    C  13           H4'        C   6   4.812   3.087   3.125
  129    H3*    C  13           H3'        C   6   4.740   4.306   0.569
  130   1H2*    C  13          1H2'        C   6   3.459   2.168  -0.540
  131   2H2*    C  13          2H2'        C   6   2.565   3.596   0.060
  132    H1*    C  13           H1'        C   6   3.192   1.019   1.565
  133   1H4     C  13          1H4         C   6  -3.477   1.704   0.979
  134   2H4     C  13          2H4         C   6  -3.109  -0.008   0.855
  135    H5     C  13           H5         C   6  -1.716   3.414   1.241
  136    H6     C  13           H6         C   6   0.677   3.751   1.417
  137    H3T    C  13          3HO'        C   6   5.341   1.663   1.426
  138   1H5*    C  15           H5'        C   1 -10.730  -7.606   0.720
  139   2H5*    C  15           H7         C   1 -11.502  -8.081   2.250
  140    H4*    C  15           H4'        C   1  -9.144  -8.933   1.988
  141    H3*    C  15           H3'        C   1 -10.266  -7.685   4.346
  142   1H2*    C  15          1H2'        C   1  -7.842  -6.748   5.053
  143   2H2*    C  15          2H2'        C   1  -9.033  -5.747   4.164
  144    H1*    C  15           H1'        C   1  -6.715  -7.387   3.026
  145   1H4     C  15          1H4         C   1  -6.146  -0.755   2.606
  146   2H4     C  15          2H4         C   1  -4.545  -1.380   2.932
  147    H5     C  15           H5         C   1  -8.030  -2.215   2.063
  148    H6     C  15           H6         C   1  -8.801  -4.513   2.058
  149   1H5*    T  16          1H5'        T   2  -7.689 -11.824   3.511
  150   2H5*    T  16          2H5'        T   2  -7.746 -13.073   4.754
  151    H4*    T  16           H4'        T   2  -5.520 -12.279   4.443
  152    H3*    T  16           H3'        T   2  -6.819 -12.054   7.087
  153   1H2*    T  16          1H2'        T   2  -4.424 -10.690   7.640
  154   2H2*    T  16          2H2'        T   2  -6.037  -9.976   7.463
  155    H1*    T  16           H1'        T   2  -3.889 -10.384   5.340
  156    H3     T  16           H3         T   2  -2.552  -6.052   5.151
  157   1H5M    T  16          1H5M        T   2  -7.550  -6.109   7.275
  158   2H5M    T  16          2H5M        T   2  -6.358  -4.895   7.771
  159   3H5M    T  16          3H5M        T   2  -7.088  -4.801   6.160
  160    H6     T  16           H6         T   2  -6.675  -8.121   6.394
  161   1H5*    C  17          1H5'       CH   3  -2.373 -13.524   6.274
  162   2H5*    C  17          2H5'       CH   3  -1.767 -14.492   7.637
  163    H4*    C  17           H4'       CH   3  -0.051 -12.985   6.549
  164    H3*    C  17           H3'       CH   3  -0.703 -12.972   9.449
  165   1H2*    C  17          1H2'       CH   3   1.345 -10.917   9.035
  166   2H2*    C  17          2H2'       CH   3  -0.282 -10.758   9.775
  167    H1*    C  17           H1'       CH   3   0.667 -10.259   6.956
  168    H3     C  17           H3        CH   3  -0.446  -5.906   7.612
  169   1H4     C  17          1H4        CH   3  -3.679  -5.587   9.125
  170   2H4     C  17          2H4        CH   3  -2.340  -4.735   8.409
  171    H5     C  17           H5        CH   3  -3.734  -8.114   9.295
  172    H6     C  17           H6        CH   3  -2.511 -10.130   8.764
  173   1H5*    T  18          1H5'        T   4   3.721 -12.358   8.209
  174   2H5*    T  18          2H5'        T   4   4.768 -12.962   9.511
  175    H4*    T  18           H4'        T   4   5.457 -10.697   8.642
  176    H3*    T  18           H3'        T   4   4.707 -11.174  11.499
  177   1H2*    T  18          1H2'        T   4   5.570  -8.401  11.187
  178   2H2*    T  18          2H2'        T   4   4.065  -9.075  11.872
  179    H1*    T  18           H1'        T   4   4.696  -8.106   9.080
  180    H3     T  18           H3         T   4   1.578  -4.835  10.027
  181   1H5M    T  18          1H5M        T   4  -0.445  -8.226  12.889
  182   2H5M    T  18          2H5M        T   4  -1.451  -8.273  11.433
  183   3H5M    T  18          3H5M        T   4  -0.363  -9.627  11.804
  184    H6     T  18           H6         T   4   1.819  -9.567  10.900
  185   1H5*    C  19          1H5'        C   5   8.480  -8.419  10.870
  186   2H5*    C  19          2H5'        C   5   9.588  -8.700  12.229
  187    H4*    C  19           H4'        C   5   9.229  -6.303  11.785
  188    H3*    C  19           H3'        C   5   8.695  -7.526  14.408
  189   1H2*    C  19          1H2'        C   5   7.600  -4.961  14.848
  190   2H2*    C  19          2H2'        C   5   6.692  -6.485  14.655
  191    H1*    C  19           H1'        C   5   7.463  -4.429  12.540
  192   1H4     C  19          1H4         C   5   0.731  -4.905  13.066
  193   2H4     C  19          2H4         C   5   1.197  -3.218  13.078
  194    H5     C  19           H5         C   5   2.525  -6.705  13.165
  195    H6     C  19           H6         C   5   4.918  -7.079  13.077
  196   1H5*    T  20          1H5'        T   6   9.850  -3.074  14.292
  197   2H5*    T  20          2H5'        T   6  10.858  -2.589  15.669
  198    H4*    T  20           H4'        T   6   9.028  -0.989  15.210
  199    H3*    T  20           H3'        T   6   9.354  -2.298  17.841
  200   1H2*    T  20          1H2'        T   6   6.891  -0.956  18.222
  201   2H2*    T  20          2H2'        T   6   7.150  -2.718  18.143
  202    H1*    T  20           H1'        T   6   6.350  -0.797  15.918
  203    H3     T  20           H3         T   6   2.099  -2.565  16.015
  204   1H5M    T  20          1H5M        T   6   4.258  -6.909  15.862
  205   2H5M    T  20          2H5M        T   6   5.650  -6.604  16.923
  206   3H5M    T  20          3H5M        T   6   4.008  -6.646  17.596
  207    H6     T  20           H6         T   6   6.479  -4.430  16.662
  208    H3T    T  20          3HO'        T   6   8.574   0.320  17.037
   
  No H/Q in entry =         208
  Start of MODEL    4
    1   1H5*    G   1           H5'        G   1  -4.666 -10.352  -1.940
    2   2H5*    G   1          2H5'        G   1  -2.490 -11.024  -1.694
    3    H4*    G   1           H4'        G   1  -0.804  -9.260  -1.328
    4    H3*    G   1           H3'        G   1  -2.350 -10.462   0.760
    5   1H2*    G   1          1H2'        G   1  -2.415  -8.192   2.218
    6   2H2*    G   1          2H2'        G   1  -3.689  -8.490   0.991
    7    H1*    G   1           H1'        G   1  -1.025  -7.046   0.518
    8    H8     G   1           H8         G   1  -4.885  -6.539   0.343
    9    H1     G   1           H1         G   1  -1.378  -1.175   0.880
   10   1H2     G   1          1H2         G   1   1.300  -3.445   0.394
   11   2H2     G   1          2H2         G   1   0.861  -1.761   0.569
   12   1H5*    A   2          1H5'        A   2   2.030  -8.945  -0.280
   13   2H5*    A   2          2H5'        A   2   3.488  -9.724   0.351
   14    H4*    A   2           H4'        A   2   3.590  -7.316   0.512
   15    H3*    A   2           H3'        A   2   3.879  -8.973   2.898
   16   1H2*    A   2          1H2'        A   2   3.557  -6.534   4.248
   17   2H2*    A   2          2H2'        A   2   2.287  -7.776   4.117
   18    H1*    A   2           H1'        A   2   2.761  -5.378   2.314
   19    H8     A   2           H8         A   2  -0.378  -7.466   3.401
   20   1H6     A   2          1H6         A   2  -2.917  -1.903   4.361
   21   2H6     A   2          2H6         A   2  -3.216  -3.625   4.403
   22    H2     A   2           H2         A   2   1.389  -1.286   3.480
   23   1H5*    G   3          1H5'        G   3   5.938  -4.751   2.773
   24   2H5*    G   3          2H5'        G   3   7.482  -4.789   3.647
   25    H4*    G   3           H4'        G   3   6.148  -2.806   4.192
   26    H3*    G   3           H3'        G   3   7.155  -4.617   6.237
   27   1H2*    G   3          1H2'        G   3   5.301  -3.418   7.918
   28   2H2*    G   3          2H2'        G   3   5.012  -4.973   7.087
   29    H1*    G   3           H1'        G   3   4.313  -2.198   6.044
   30    H8     G   3           H8         G   3   2.719  -5.782   6.342
   31    H1     G   3           H1         G   3  -1.351  -0.893   7.244
   32   1H2     G   3          1H2         G   3   1.556   1.065   6.825
   33   2H2     G   3          2H2         G   3  -0.142   1.086   7.264
   34   1H5*    A   4          1H5'        A   4   6.467   0.073   6.975
   35   2H5*    A   4          2H5'        A   4   7.665   0.636   8.154
   36    H4*    A   4           H4'        A   4   5.512   1.745   8.371
   37    H3*    A   4           H3'        A   4   6.868   0.470  10.594
   38   1H2*    A   4          1H2'        A   4   4.405   0.657  11.884
   39   2H2*    A   4          2H2'        A   4   5.051  -0.853  11.199
   40    H1*    A   4           H1'        A   4   3.169   1.145   9.906
   41    H8     A   4           H8         A   4   3.862  -2.720   9.818
   42   1H6     A   4          1H6         A   4  -2.263  -3.230  10.289
   43   2H6     A   4          2H6         A   4  -0.727  -4.067  10.381
   44    H2     A   4           H2         A   4  -1.270   1.107  10.380
   45   1H5*    G   5          1H5'        G   5   3.886   4.167  11.661
   46   2H5*    G   5          2H5'        G   5   4.564   4.960  13.094
   47    H4*    G   5           H4'        G   5   2.149   4.715  13.248
   48    H3*    G   5           H3'        G   5   3.920   3.727  15.326
   49   1H2*    G   5          1H2'        G   5   1.825   2.128  16.148
   50   2H2*    G   5          2H2'        G   5   3.154   1.546  15.103
   51    H1*    G   5           H1'        G   5   0.479   2.692  14.195
   52    H8     G   5           H8         G   5   2.970  -0.242  13.299
   53    H1     G   5           H1         G   5  -3.205  -1.955  13.580
   54   1H2     G   5          1H2         G   5  -3.711   1.467  14.352
   55   2H2     G   5          2H2         G   5  -4.477  -0.105  14.201
   56   1H5*    A   6          1H5'        A   6  -0.612   4.427  16.216
   57   2H5*    A   6          2H5'        A   6  -0.825   5.130  17.832
   58    H4*    A   6           H4'        A   6  -2.514   3.448  17.427
   59    H3*    A   6           H3'        A   6  -0.686   3.237  19.689
   60   1H2*    A   6          1H2'        A   6  -1.469   0.599  19.832
   61   2H2*    A   6          2H2'        A   6   0.050   1.116  19.024
   62    H1*    A   6           H1'        A   6  -2.689   0.778  17.721
   63    H8     A   6           H8         A   6   1.060  -0.073  16.911
   64   1H6     A   6          1H6         A   6  -1.197  -5.680  15.424
   65   2H6     A   6          2H6         A   6   0.268  -4.732  15.648
   66    H2     A   6           H2         A   6  -4.583  -3.141  16.726
   67    H3T    A   6          3HO'        A   6  -3.323   2.252  19.235
   68   1H5*    T   8           H5'        T   1  -9.000 -11.290  19.279
   69   2H5*    T   8          2H5'        T   1  -8.549 -11.365  16.471
   70    H4*    T   8           H4'        T   1  -9.322  -9.116  18.385
   71    H3*    T   8           H3'        T   1 -10.053  -9.450  15.611
   72   1H2*    T   8          1H2'        T   1  -8.605  -7.158  15.078
   73   2H2*    T   8          2H2'        T   1  -7.974  -8.804  14.809
   74    H1*    T   8           H1'        T   1  -7.694  -7.104  17.332
   75    H3     T   8           H3         T   1  -3.557  -5.571  16.100
   76   1H5M    T   8          1H5M        T   1  -3.527 -10.763  14.982
   77   2H5M    T   8          2H5M        T   1  -3.874  -9.987  13.420
   78   3H5M    T   8          3H5M        T   1  -2.341  -9.670  14.253
   79    H6     T   8           H6         T   1  -5.849  -9.739  15.449
   80   1H5*    C   9          1H5'        C   2 -10.320  -4.868  17.289
   81   2H5*    C   9          2H5'        C   2 -11.779  -4.230  16.506
   82    H4*    C   9           H4'        C   2 -10.055  -2.561  16.590
   83    H3*    C   9           H3'        C   2 -11.240  -3.390  14.048
   84   1H2*    C   9          1H2'        C   2  -9.125  -2.033  12.905
   85   2H2*    C   9          2H2'        C   2  -9.234  -3.804  13.066
   86    H1*    C   9           H1'        C   2  -7.922  -1.831  14.977
   87   1H4     C   9          1H4         C   2  -3.164  -6.087  12.927
   88   2H4     C   9          2H4         C   2  -2.469  -4.492  12.984
   89    H5     C   9           H5         C   2  -5.612  -6.450  13.182
   90    H6     C   9           H6         C   2  -7.655  -5.397  13.928
   91   1H5*    T  10          1H5'        T   3  -9.526   0.994  14.727
   92   2H5*    T  10          2H5'        T   3 -10.560   2.147  13.858
   93    H4*    T  10           H4'        T   3  -8.170   2.743  13.729
   94    H3*    T  10           H3'        T   3  -9.882   2.434  11.390
   95   1H2*    T  10          1H2'        T   3  -7.482   2.357   9.976
   96   2H2*    T  10          2H2'        T   3  -8.470   0.934  10.379
   97    H1*    T  10           H1'        T   3  -6.161   2.120  11.992
   98    H3     T  10           H3         T   3  -3.135  -0.939  10.462
   99   1H5M    T  10          1H5M        T   3  -7.834  -3.534  11.198
  100   2H5M    T  10          2H5M        T   3  -7.396  -3.522   9.483
  101   3H5M    T  10          3H5M        T   3  -6.374  -4.377  10.656
  102    H6     T  10           H6         T   3  -7.867  -1.109  11.285
  103   1H5*    C  11          1H5'        C   4  -6.067   5.136  11.284
  104   2H5*    C  11          2H5'        C   4  -6.336   6.563  10.263
  105    H4*    C  11           H4'        C   4  -4.104   5.631   9.965
  106    H3*    C  11           H3'        C   4  -5.967   5.963   7.718
  107   1H2*    C  11          1H2'        C   4  -4.042   4.444   6.380
  108   2H2*    C  11          2H2'        C   4  -5.619   3.844   6.946
  109    H1*    C  11           H1'        C   4  -2.946   3.776   8.420
  110   1H4     C  11          1H4         C   4  -5.032  -2.433   6.849
  111   2H4     C  11          2H4         C   4  -3.303  -2.453   6.770
  112    H5     C  11           H5         C   4  -6.319  -0.456   7.609
  113    H6     C  11           H6         C   4  -6.148   1.880   8.193
  114   1H5*    T  12          1H5'        T   5  -1.295   6.704   7.574
  115   2H5*    T  12          2H5'        T   5  -0.966   8.035   6.447
  116    H4*    T  12           H4'        T   5   0.848   6.322   6.525
  117    H3*    T  12           H3'        T   5  -0.359   7.376   4.139
  118   1H2*    T  12          1H2'        T   5   0.509   5.063   2.872
  119   2H2*    T  12          2H2'        T   5  -1.168   5.377   3.373
  120    H1*    T  12           H1'        T   5   1.038   3.871   4.848
  121    H3     T  12           H3         T   5  -0.923  -0.223   4.007
  122   1H5M    T  12          1H5M        T   5  -5.123   1.973   5.132
  123   2H5M    T  12          2H5M        T   5  -4.874   3.513   4.279
  124   3H5M    T  12          3H5M        T   5  -5.062   2.004   3.365
  125    H6     T  12           H6         T   5  -2.656   4.215   4.649
  126   1H5*    C  13          1H5'        C   6   3.519   5.032   3.764
  127   2H5*    C  13          2H5'        C   6   4.662   5.697   2.580
  128    H4*    C  13           H4'        C   6   4.458   3.238   2.430
  129    H3*    C  13           H3'        C   6   4.149   5.008   0.157
  130   1H2*    C  13          1H2'        C   6   2.745   2.995  -1.090
  131   2H2*    C  13          2H2'        C   6   1.954   4.366  -0.254
  132    H1*    C  13           H1'        C   6   2.727   1.659   0.921
  133   1H4     C  13          1H4         C   6  -3.987   2.010   1.015
  134   2H4     C  13          2H4         C   6  -3.531   0.314   1.026
  135    H5     C  13           H5         C   6  -2.310   3.817   0.939
  136    H6     C  13           H6         C   6   0.044   4.292   0.883
  137    H3T    C  13          3HO'        C   6   5.771   3.385   0.490
  138   1H5*    C  15           H5'        C   1 -11.203  -7.211   1.409
  139   2H5*    C  15           H7         C   1 -11.822  -7.751   2.987
  140    H4*    C  15           H4'        C   1  -9.500  -8.584   2.445
  141    H3*    C  15           H3'        C   1 -10.387  -7.449   4.959
  142   1H2*    C  15          1H2'        C   1  -7.876  -6.597   5.475
  143   2H2*    C  15          2H2'        C   1  -9.145  -5.528   4.794
  144    H1*    C  15           H1'        C   1  -6.972  -7.080   3.309
  145   1H4     C  15          1H4         C   1  -6.401  -0.434   2.932
  146   2H4     C  15          2H4         C   1  -4.783  -1.108   3.055
  147    H5     C  15           H5         C   1  -8.388  -1.876   2.701
  148    H6     C  15           H6         C   1  -9.168  -4.171   2.761
  149   1H5*    T  16          1H5'        T   2  -8.020 -11.705   3.765
  150   2H5*    T  16          2H5'        T   2  -8.076 -12.963   5.000
  151    H4*    T  16           H4'        T   2  -5.827 -12.298   4.552
  152    H3*    T  16           H3'        T   2  -6.927 -12.111   7.266
  153   1H2*    T  16          1H2'        T   2  -4.600 -10.689   7.790
  154   2H2*    T  16          2H2'        T   2  -6.211  -9.982   7.554
  155    H1*    T  16           H1'        T   2  -4.067 -10.512   5.451
  156    H3     T  16           H3         T   2  -2.449  -6.290   5.051
  157   1H5M    T  16          1H5M        T   2  -7.220  -5.965   7.635
  158   2H5M    T  16          2H5M        T   2  -5.910  -4.802   7.913
  159   3H5M    T  16          3H5M        T   2  -6.844  -4.728   6.411
  160    H6     T  16           H6         T   2  -6.615  -8.037   6.653
  161   1H5*    C  17          1H5'       CH   3  -2.472 -13.519   6.180
  162   2H5*    C  17          2H5'       CH   3  -1.821 -14.502   7.511
  163    H4*    C  17           H4'       CH   3  -0.129 -13.009   6.381
  164    H3*    C  17           H3'       CH   3  -0.696 -12.978   9.300
  165   1H2*    C  17          1H2'       CH   3   1.363 -10.946   8.815
  166   2H2*    C  17          2H2'       CH   3  -0.240 -10.769   9.602
  167    H1*    C  17           H1'       CH   3   0.627 -10.293   6.751
  168    H3     C  17           H3        CH   3  -0.355  -5.923   7.551
  169   1H4     C  17          1H4        CH   3  -3.591  -5.581   9.061
  170   2H4     C  17          2H4        CH   3  -2.224  -4.732   8.394
  171    H5     C  17           H5        CH   3  -3.687  -8.098   9.197
  172    H6     C  17           H6        CH   3  -2.522 -10.128   8.598
  173   1H5*    T  18          1H5'        T   4   3.723 -12.339   8.031
  174   2H5*    T  18          2H5'        T   4   4.762 -12.970   9.327
  175    H4*    T  18           H4'        T   4   5.459 -10.689   8.520
  176    H3*    T  18           H3'        T   4   4.666 -11.213  11.360
  177   1H2*    T  18          1H2'        T   4   5.552  -8.440  11.098
  178   2H2*    T  18          2H2'        T   4   4.035  -9.113  11.758
  179    H1*    T  18           H1'        T   4   4.703  -8.112   8.986
  180    H3     T  18           H3         T   4   1.618  -4.827   9.989
  181   1H5M    T  18          1H5M        T   4  -1.459  -8.230  11.338
  182   2H5M    T  18          2H5M        T   4  -0.409  -9.637  11.613
  183   3H5M    T  18          3H5M        T   4  -0.427  -8.296  12.774
  184    H6     T  18           H6         T   4   1.796  -9.583  10.742
  185   1H5*    C  19          1H5'        C   5   8.458  -8.468  10.813
  186   2H5*    C  19          2H5'        C   5   9.549  -8.769  12.181
  187    H4*    C  19           H4'        C   5   9.211  -6.366  11.754
  188    H3*    C  19           H3'        C   5   8.650  -7.608  14.362
  189   1H2*    C  19          1H2'        C   5   7.552  -5.050  14.821
  190   2H2*    C  19          2H2'        C   5   6.642  -6.568  14.593
  191    H1*    C  19           H1'        C   5   7.452  -4.488  12.515
  192   1H4     C  19          1H4         C   5   0.711  -4.908  12.969
  193   2H4     C  19          2H4         C   5   1.194  -3.226  13.026
  194    H5     C  19           H5         C   5   2.489  -6.727  13.081
  195    H6     C  19           H6         C   5   4.877  -7.124  12.989
  196   1H5*    T  20          1H5'        T   6   9.815  -3.154  14.281
  197   2H5*    T  20          2H5'        T   6  10.817  -2.682  15.667
  198    H4*    T  20           H4'        T   6   9.001  -1.065  15.202
  199    H3*    T  20           H3'        T   6   9.295  -2.391  17.830
  200   1H2*    T  20          1H2'        T   6   6.843  -1.015  18.189
  201   2H2*    T  20          2H2'        T   6   7.084  -2.780  18.118
  202    H1*    T  20           H1'        T   6   6.317  -0.857  15.883
  203    H3     T  20           H3         T   6   2.055  -2.605  15.963
  204   1H5M    T  20          1H5M        T   6   4.198  -6.955  15.796
  205   2H5M    T  20          2H5M        T   6   5.586  -6.662  16.864
  206   3H5M    T  20          3H5M        T   6   3.941  -6.702  17.530
  207    H6     T  20           H6         T   6   6.425  -4.491  16.619
  208    H3T    T  20          3HO'        T   6   9.004  -0.209  18.473
   
  No H/Q in entry =         208
  Start of MODEL    5
    1   1H5*    G   1           H5'        G   1  -4.705  -9.783  -0.372
    2   2H5*    G   1          2H5'        G   1  -4.030 -10.949  -2.203
    3    H4*    G   1           H4'        G   1  -2.085  -9.569  -2.870
    4    H3*    G   1           H3'        G   1  -2.448 -10.626  -0.330
    5   1H2*    G   1          1H2'        G   1  -1.554  -8.417   1.000
    6   2H2*    G   1          2H2'        G   1  -3.290  -8.565   0.591
    7    H1*    G   1           H1'        G   1  -1.126  -7.170  -1.023
    8    H8     G   1           H8         G   1  -4.951  -6.677  -0.426
    9    H1     G   1           H1         G   1  -1.259  -1.611   1.024
   10   1H2     G   1          1H2         G   1   1.337  -3.876   0.156
   11   2H2     G   1          2H2         G   1   0.981  -2.267   0.761
   12   1H5*    A   2          1H5'        A   2   1.631  -8.128  -0.866
   13   2H5*    A   2          2H5'        A   2   2.921  -9.127  -0.173
   14    H4*    A   2           H4'        A   2   3.229  -6.728   0.222
   15    H3*    A   2           H3'        A   2   3.284  -8.716   2.365
   16   1H2*    A   2          1H2'        A   2   3.195  -6.418   3.994
   17   2H2*    A   2          2H2'        A   2   1.834  -7.530   3.737
   18    H1*    A   2           H1'        A   2   2.484  -4.963   2.247
   19    H8     A   2           H8         A   2  -0.694  -7.105   3.039
   20   1H6     A   2          1H6         A   2  -3.255  -1.737   4.655
   21   2H6     A   2          2H6         A   2  -3.587  -3.416   4.232
   22    H2     A   2           H2         A   2   1.045  -0.969   3.817
   23   1H5*    G   3          1H5'        G   3   5.685  -4.748   2.656
   24   2H5*    G   3          2H5'        G   3   7.203  -4.924   3.556
   25    H4*    G   3           H4'        G   3   5.917  -2.902   4.159
   26    H3*    G   3           H3'        G   3   6.870  -4.826   6.135
   27   1H2*    G   3          1H2'        G   3   5.089  -3.561   7.856
   28   2H2*    G   3          2H2'        G   3   4.731  -5.098   7.019
   29    H1*    G   3           H1'        G   3   4.120  -2.291   6.007
   30    H8     G   3           H8         G   3   2.383  -5.816   6.166
   31    H1     G   3           H1         G   3  -1.427  -0.796   7.428
   32   1H2     G   3          1H2         G   3   1.553   1.043   6.990
   33   2H2     G   3          2H2         G   3  -0.133   1.130   7.452
   34   1H5*    A   4          1H5'        A   4   6.437  -0.127   6.956
   35   2H5*    A   4          2H5'        A   4   7.673   0.370   8.125
   36    H4*    A   4           H4'        A   4   5.550   1.572   8.347
   37    H3*    A   4           H3'        A   4   6.920   0.307  10.562
   38   1H2*    A   4          1H2'        A   4   4.492   0.551  11.902
   39   2H2*    A   4          2H2'        A   4   5.089  -0.978  11.214
   40    H1*    A   4           H1'        A   4   3.222   1.051   9.946
   41    H8     A   4           H8         A   4   3.838  -2.825   9.845
   42   1H6     A   4          1H6         A   4  -2.291  -3.220  10.360
   43   2H6     A   4          2H6         A   4  -0.774  -4.094  10.414
   44    H2     A   4           H2         A   4  -1.205   1.092  10.568
   45   1H5*    G   5          1H5'        G   5   4.009   4.062  11.618
   46   2H5*    G   5          2H5'        G   5   4.719   4.873  13.026
   47    H4*    G   5           H4'        G   5   2.299   4.656  13.214
   48    H3*    G   5           H3'        G   5   4.088   3.705  15.293
   49   1H2*    G   5          1H2'        G   5   1.992   2.143  16.179
   50   2H2*    G   5          2H2'        G   5   3.303   1.527  15.131
   51    H1*    G   5           H1'        G   5   0.624   2.669  14.230
   52    H8     G   5           H8         G   5   3.088  -0.299  13.370
   53    H1     G   5           H1         G   5  -3.102  -1.957  13.680
   54   1H2     G   5          1H2         G   5  -3.574   1.471  14.437
   55   2H2     G   5          2H2         G   5  -4.353  -0.096  14.305
   56   1H5*    A   6          1H5'        A   6  -0.429   4.480  16.199
   57   2H5*    A   6          2H5'        A   6  -0.628   5.218  17.801
   58    H4*    A   6           H4'        A   6  -2.340   3.544  17.431
   59    H3*    A   6           H3'        A   6  -0.525   3.378  19.701
   60   1H2*    A   6          1H2'        A   6  -1.291   0.741  19.901
   61   2H2*    A   6          2H2'        A   6   0.220   1.244  19.070
   62    H1*    A   6           H1'        A   6  -2.530   0.882  17.795
   63    H8     A   6           H8         A   6   1.219  -0.019  17.035
   64   1H6     A   6          1H6         A   6  -1.069  -5.616  15.585
   65   2H6     A   6          2H6         A   6   0.403  -4.687  15.843
   66    H2     A   6           H2         A   6  -4.457  -3.020  16.754
   67    H3T    A   6          3HO'        A   6  -2.463   2.592  20.655
   68   1H5*    T   8           H5'        T   1  -8.913 -11.121  19.445
   69   2H5*    T   8          2H5'        T   1  -8.440 -11.263  16.644
   70    H4*    T   8           H4'        T   1  -9.248  -8.973  18.495
   71    H3*    T   8           H3'        T   1  -9.954  -9.385  15.723
   72   1H2*    T   8          1H2'        T   1  -8.524  -7.090  15.147
   73   2H2*    T   8          2H2'        T   1  -7.876  -8.736  14.921
   74    H1*    T   8           H1'        T   1  -7.628  -6.972  17.404
   75    H3     T   8           H3         T   1  -3.476  -5.454  16.187
   76   1H5M    T   8          1H5M        T   1  -3.682  -9.895  13.595
   77   2H5M    T   8          2H5M        T   1  -2.209  -9.628  14.546
   78   3H5M    T   8          3H5M        T   1  -3.479 -10.689  15.173
   79    H6     T   8           H6         T   1  -5.753  -9.643  15.605
   80   1H5*    C   9          1H5'        C   2 -10.261  -4.815  17.362
   81   2H5*    C   9          2H5'        C   2 -11.719  -4.174  16.582
   82    H4*    C   9           H4'        C   2  -9.989  -2.501  16.693
   83    H3*    C   9           H3'        C   2 -11.194  -3.295  14.154
   84   1H2*    C   9          1H2'        C   2  -9.072  -1.926  13.013
   85   2H2*    C   9          2H2'        C   2  -9.187  -3.699  13.143
   86    H1*    C   9           H1'        C   2  -7.855  -1.762  15.079
   87   1H4     C   9          1H4         C   2  -3.145  -6.045  12.974
   88   2H4     C   9          2H4         C   2  -2.421  -4.465  13.070
   89    H5     C   9           H5         C   2  -5.588  -6.385  13.245
   90    H6     C   9           H6         C   2  -7.624  -5.316  13.984
   91   1H5*    T  10          1H5'        T   3  -9.467   1.068  14.880
   92   2H5*    T  10          2H5'        T   3 -10.495   2.241  14.033
   93    H4*    T  10           H4'        T   3  -8.097   2.820  13.910
   94    H3*    T  10           H3'        T   3  -9.821   2.573  11.574
   95   1H2*    T  10          1H2'        T   3  -7.433   2.494  10.148
   96   2H2*    T  10          2H2'        T   3  -8.436   1.075  10.526
   97    H1*    T  10           H1'        T   3  -6.101   2.201  12.147
   98    H3     T  10           H3         T   3  -3.107  -0.910  10.657
   99   1H5M    T  10          1H5M        T   3  -7.226  -3.475   9.478
  100   2H5M    T  10          2H5M        T   3  -6.462  -4.261  10.871
  101   3H5M    T  10          3H5M        T   3  -7.964  -3.341  11.085
  102    H6     T  10           H6         T   3  -7.861  -0.983  11.364
  103   1H5*    C  11          1H5'        C   4  -6.004   5.334  11.553
  104   2H5*    C  11          2H5'        C   4  -6.267   6.750  10.518
  105    H4*    C  11           H4'        C   4  -3.995   5.813  10.294
  106    H3*    C  11           H3'        C   4  -5.839   6.026   7.968
  107   1H2*    C  11          1H2'        C   4  -3.444   4.825   6.910
  108   2H2*    C  11          2H2'        C   4  -5.093   4.143   6.988
  109    H1*    C  11           H1'        C   4  -2.772   3.865   8.923
  110   1H4     C  11          1H4         C   4  -5.180  -2.118   6.977
  111   2H4     C  11          2H4         C   4  -3.458  -2.229   6.915
  112    H5     C  11           H5         C   4  -6.370  -0.069   7.733
  113    H6     C  11           H6         C   4  -6.070   2.242   8.377
  114   1H5*    T  12          1H5'        T   5  -1.280   7.038   7.620
  115   2H5*    T  12          2H5'        T   5  -1.023   8.352   6.454
  116    H4*    T  12           H4'        T   5   0.700   6.570   6.319
  117    H3*    T  12           H3'        T   5  -0.598   7.714   4.084
  118   1H2*    T  12          1H2'        T   5  -0.593   5.386   2.693
  119   2H2*    T  12          2H2'        T   5  -1.950   5.845   3.736
  120    H1*    T  12           H1'        T   5   0.506   4.200   4.527
  121    H3     T  12           H3         T   5  -1.333   0.004   4.415
  122   1H5M    T  12          1H5M        T   5  -5.521   2.221   3.485
  123   2H5M    T  12          2H5M        T   5  -5.618   1.975   5.236
  124   3H5M    T  12          3H5M        T   5  -5.416   3.613   4.582
  125    H6     T  12           H6         T   5  -3.229   4.413   4.684
  126   1H5*    C  13          1H5'        C   6   3.262   5.010   3.796
  127   2H5*    C  13          2H5'        C   6   4.326   5.632   2.519
  128    H4*    C  13           H4'        C   6   4.497   3.171   2.808
  129    H3*    C  13           H3'        C   6   4.200   4.488   0.302
  130   1H2*    C  13          1H2'        C   6   2.878   2.316  -0.734
  131   2H2*    C  13          2H2'        C   6   2.011   3.727  -0.055
  132    H1*    C  13           H1'        C   6   2.829   1.165   1.396
  133   1H4     C  13          1H4         C   6  -3.888   1.636   1.178
  134   2H4     C  13          2H4         C   6  -3.470  -0.065   1.058
  135    H5     C  13           H5         C   6  -2.168   3.402   1.355
  136    H6     C  13           H6         C   6   0.217   3.814   1.408
  137    H3T    C  13          3HO'        C   6   5.242   2.615  -0.435
  138   1H5*    C  15           H5'        C   1  -9.986  -7.427  -0.739
  139   2H5*    C  15           H7         C   1 -11.007  -8.314   0.418
  140    H4*    C  15           H4'        C   1  -8.563  -8.916   0.542
  141    H3*    C  15           H3'        C   1 -10.226  -8.050   2.812
  142   1H2*    C  15          1H2'        C   1  -7.578  -8.210   3.975
  143   2H2*    C  15          2H2'        C   1  -8.639  -6.764   3.828
  144    H1*    C  15           H1'        C   1  -6.357  -7.673   2.071
  145   1H4     C  15          1H4         C   1  -6.293  -1.099   3.184
  146   2H4     C  15          2H4         C   1  -4.636  -1.640   3.198
  147    H5     C  15           H5         C   1  -8.138  -2.589   2.660
  148    H6     C  15           H6         C   1  -8.740  -4.869   2.177
  149   1H5*    T  16          1H5'        T   2  -7.242 -11.648   3.334
  150   2H5*    T  16          2H5'        T   2  -7.676 -12.588   4.775
  151    H4*    T  16           H4'        T   2  -5.181 -12.161   4.423
  152    H3*    T  16           H3'        T   2  -6.652 -11.562   6.946
  153   1H2*    T  16          1H2'        T   2  -3.911 -10.703   7.350
  154   2H2*    T  16          2H2'        T   2  -5.411  -9.763   7.476
  155    H1*    T  16           H1'        T   2  -3.481 -10.159   5.174
  156    H3     T  16           H3         T   2  -2.546  -5.700   5.239
  157   1H5M    T  16          1H5M        T   2  -7.036  -5.378   7.468
  158   2H5M    T  16          2H5M        T   2  -7.031  -4.645   5.851
  159   3H5M    T  16          3H5M        T   2  -7.822  -6.211   6.109
  160    H6     T  16           H6         T   2  -6.522  -8.203   6.026
  161   1H5*    C  17          1H5'       CH   3  -2.441 -13.506   6.578
  162   2H5*    C  17          2H5'       CH   3  -1.923 -14.435   8.002
  163    H4*    C  17           H4'       CH   3  -0.136 -12.989   6.920
  164    H3*    C  17           H3'       CH   3  -0.873 -12.894   9.798
  165   1H2*    C  17          1H2'       CH   3   1.236 -10.899   9.389
  166   2H2*    C  17          2H2'       CH   3  -0.402 -10.683  10.088
  167    H1*    C  17           H1'       CH   3   0.626 -10.266   7.285
  168    H3     C  17           H3        CH   3  -0.490  -5.886   7.678
  169   1H4     C  17          1H4        CH   3  -3.755  -5.482   9.103
  170   2H4     C  17          2H4        CH   3  -2.400  -4.670   8.373
  171    H5     C  17           H5        CH   3  -3.794  -7.988   9.461
  172    H6     C  17           H6        CH   3  -2.566 -10.030   9.070
  173   1H5*    T  18          1H5'        T   4   3.595 -12.490   8.595
  174   2H5*    T  18          2H5'        T   4   4.611 -13.080   9.927
  175    H4*    T  18           H4'        T   4   5.392 -10.882   8.954
  176    H3*    T  18           H3'        T   4   4.657 -11.233  11.827
  177   1H2*    T  18          1H2'        T   4   5.578  -8.494  11.442
  178   2H2*    T  18          2H2'        T   4   4.054  -9.118  12.137
  179    H1*    T  18           H1'        T   4   4.713  -8.226   9.327
  180    H3     T  18           H3         T   4   1.615  -4.889  10.111
  181   1H5M    T  18          1H5M        T   4  -1.451  -8.268  11.614
  182   2H5M    T  18          2H5M        T   4  -0.360  -9.582  12.104
  183   3H5M    T  18          3H5M        T   4  -0.478  -8.109  13.085
  184    H6     T  18           H6         T   4   1.820  -9.574  11.209
  185   1H5*    C  19          1H5'        C   5   8.494  -8.599  11.085
  186   2H5*    C  19          2H5'        C   5   9.605  -8.861  12.445
  187    H4*    C  19           H4'        C   5   9.287  -6.468  11.929
  188    H3*    C  19           H3'        C   5   8.772  -7.604  14.591
  189   1H2*    C  19          1H2'        C   5   7.683  -5.033  14.980
  190   2H2*    C  19          2H2'        C   5   6.768  -6.555  14.818
  191    H1*    C  19           H1'        C   5   7.553  -4.549  12.658
  192   1H4     C  19          1H4         C   5   0.819  -4.954  13.260
  193   2H4     C  19          2H4         C   5   1.289  -3.272  13.145
  194    H5     C  19           H5         C   5   2.594  -6.756  13.391
  195    H6     C  19           H6         C   5   4.985  -7.150  13.324
  196   1H5*    T  20          1H5'        T   6   9.922  -3.160  14.329
  197   2H5*    T  20          2H5'        T   6  10.944  -2.632  15.681
  198    H4*    T  20           H4'        T   6   9.112  -1.047  15.196
  199    H3*    T  20           H3'        T   6   9.451  -2.287  17.859
  200   1H2*    T  20          1H2'        T   6   6.994  -0.922  18.215
  201   2H2*    T  20          2H2'        T   6   7.247  -2.686  18.188
  202    H1*    T  20           H1'        T   6   6.439  -0.830  15.911
  203    H3     T  20           H3         T   6   2.184  -2.577  16.081
  204   1H5M    T  20          1H5M        T   6   5.725  -6.604  17.082
  205   2H5M    T  20          2H5M        T   6   4.099  -6.607  17.795
  206   3H5M    T  20          3H5M        T   6   4.306  -6.934  16.067
  207    H6     T  20           H6         T   6   6.559  -4.439  16.768
  208    H3T    T  20          3HO'        T   6   9.151  -0.089  18.439
   
  No H/Q in entry =         208
  Start of MODEL    6
    1   1H5*    G   1           H5'        G   1  -4.177 -10.249  -0.105
    2   2H5*    G   1          2H5'        G   1  -3.439 -11.470  -1.879
    3    H4*    G   1           H4'        G   1  -1.545 -10.039  -2.586
    4    H3*    G   1           H3'        G   1  -1.896 -11.003  -0.004
    5   1H2*    G   1          1H2'        G   1  -1.080  -8.707   1.231
    6   2H2*    G   1          2H2'        G   1  -2.806  -8.944   0.828
    7    H1*    G   1           H1'        G   1  -0.694  -7.529  -0.841
    8    H8     G   1           H8         G   1  -4.541  -7.179  -0.267
    9    H1     G   1           H1         G   1  -1.106  -1.885   0.966
   10   1H2     G   1          1H2         G   1   1.608  -4.033   0.163
   11   2H2     G   1          2H2         G   1   1.160  -2.417   0.684
   12   1H5*    A   2          1H5'        A   2   1.983  -8.323  -0.598
   13   2H5*    A   2          2H5'        A   2   3.346  -9.207   0.110
   14    H4*    A   2           H4'        A   2   3.508  -6.807   0.416
   15    H3*    A   2           H3'        A   2   3.681  -8.686   2.647
   16   1H2*    A   2          1H2'        A   2   3.474  -6.340   4.185
   17   2H2*    A   2          2H2'        A   2   2.158  -7.515   3.966
   18    H1*    A   2           H1'        A   2   2.725  -4.997   2.364
   19    H8     A   2           H8         A   2  -0.406  -7.132   3.366
   20   1H6     A   2          1H6         A   2  -2.997  -1.655   4.605
   21   2H6     A   2          2H6         A   2  -3.229  -3.395   4.605
   22    H2     A   2           H2         A   2   1.285  -0.938   3.615
   23   1H5*    G   3          1H5'        G   3   5.864  -4.569   2.752
   24   2H5*    G   3          2H5'        G   3   7.401  -4.648   3.636
   25    H4*    G   3           H4'        G   3   6.067  -2.662   4.210
   26    H3*    G   3           H3'        G   3   7.064  -4.524   6.222
   27   1H2*    G   3          1H2'        G   3   5.241  -3.291   7.920
   28   2H2*    G   3          2H2'        G   3   4.932  -4.846   7.096
   29    H1*    G   3           H1'        G   3   4.244  -2.067   6.054
   30    H8     G   3           H8         G   3   2.627  -5.645   6.293
   31    H1     G   3           H1         G   3  -1.381  -0.737   7.389
   32   1H2     G   3          1H2         G   3   1.534   1.198   6.951
   33   2H2     G   3          2H2         G   3  -0.160   1.230   7.398
   34   1H5*    A   4          1H5'        A   4   6.434   0.145   7.030
   35   2H5*    A   4          2H5'        A   4   7.647   0.689   8.202
   36    H4*    A   4           H4'        A   4   5.500   1.801   8.459
   37    H3*    A   4           H3'        A   4   6.878   0.488  10.648
   38   1H2*    A   4          1H2'        A   4   4.430   0.671  11.968
   39   2H2*    A   4          2H2'        A   4   5.061  -0.834  11.259
   40    H1*    A   4           H1'        A   4   3.174   1.186  10.012
   41    H8     A   4           H8         A   4   3.839  -2.681   9.849
   42   1H6     A   4          1H6         A   4  -2.295  -3.145  10.342
   43   2H6     A   4          2H6         A   4  -0.768  -4.003  10.399
   44    H2     A   4           H2         A   4  -1.250   1.177  10.548
   45   1H5*    G   5          1H5'        G   5   3.945   4.208  11.822
   46   2H5*    G   5          2H5'        G   5   4.656   4.962  13.261
   47    H4*    G   5           H4'        G   5   2.239   4.740  13.445
   48    H3*    G   5           H3'        G   5   4.029   3.698  15.478
   49   1H2*    G   5          1H2'        G   5   1.935   2.101  16.302
   50   2H2*    G   5          2H2'        G   5   3.243   1.528  15.224
   51    H1*    G   5           H1'        G   5   0.564   2.714  14.381
   52    H8     G   5           H8         G   5   3.011  -0.227  13.390
   53    H1     G   5           H1         G   5  -3.179  -1.873  13.722
   54   1H2     G   5          1H2         G   5  -3.625   1.529  14.610
   55   2H2     G   5          2H2         G   5  -4.415  -0.027  14.428
   56   1H5*    A   6          1H5'        A   6  -0.491   4.438  16.443
   57   2H5*    A   6          2H5'        A   6  -0.669   5.113  18.075
   58    H4*    A   6           H4'        A   6  -2.392   3.464  17.661
   59    H3*    A   6           H3'        A   6  -0.538   3.186  19.895
   60   1H2*    A   6          1H2'        A   6  -1.359   0.558  20.001
   61   2H2*    A   6          2H2'        A   6   0.157   1.067  19.183
   62    H1*    A   6           H1'        A   6  -2.603   0.791  17.908
   63    H8     A   6           H8         A   6   1.126  -0.084  17.032
   64   1H6     A   6          1H6         A   6  -1.205  -5.635  15.456
   65   2H6     A   6          2H6         A   6   0.273  -4.708  15.685
   66    H2     A   6           H2         A   6  -4.549  -3.096  16.859
   67    H3T    A   6          3HO'        A   6  -3.195   2.248  19.459
   68   1H5*    T   8           H5'        T   1  -7.671 -11.355  18.582
   69   2H5*    T   8          2H5'        T   1  -8.617 -11.262  16.485
   70    H4*    T   8           H4'        T   1  -9.365  -9.025  18.422
   71    H3*    T   8           H3'        T   1 -10.102  -9.322  15.645
   72   1H2*    T   8          1H2'        T   1  -8.630  -7.039  15.135
   73   2H2*    T   8          2H2'        T   1  -8.017  -8.689  14.848
   74    H1*    T   8           H1'        T   1  -7.716  -7.018  17.389
   75    H3     T   8           H3         T   1  -3.562  -5.516  16.170
   76   1H5M    T   8          1H5M        T   1  -3.944  -9.896  13.432
   77   2H5M    T   8          2H5M        T   1  -2.401  -9.598  14.252
   78   3H5M    T   8          3H5M        T   1  -3.587 -10.690  14.983
   79    H6     T   8           H6         T   1  -5.902  -9.651  15.470
   80   1H5*    C   9          1H5'        C   2 -10.330  -4.773  17.411
   81   2H5*    C   9          2H5'        C   2 -11.779  -4.100  16.640
   82    H4*    C   9           H4'        C   2 -10.031  -2.453  16.781
   83    H3*    C   9           H3'        C   2 -11.242  -3.179  14.226
   84   1H2*    C   9          1H2'        C   2  -9.101  -1.844  13.101
   85   2H2*    C   9          2H2'        C   2  -9.240  -3.615  13.221
   86    H1*    C   9           H1'        C   2  -7.892  -1.709  15.176
   87   1H4     C   9          1H4         C   2  -3.207  -5.977  12.982
   88   2H4     C   9          2H4         C   2  -2.494  -4.390  13.050
   89    H5     C   9           H5         C   2  -5.658  -6.316  13.254
   90    H6     C   9           H6         C   2  -7.681  -5.252  14.039
   91   1H5*    T  10          1H5'        T   3  -9.412   1.135  15.029
   92   2H5*    T  10          2H5'        T   3 -10.423   2.342  14.208
   93    H4*    T  10           H4'        T   3  -8.018   2.888  14.092
   94    H3*    T  10           H3'        T   3  -9.754   2.735  11.768
   95   1H2*    T  10          1H2'        T   3  -7.402   2.585  10.299
   96   2H2*    T  10          2H2'        T   3  -8.429   1.186  10.698
   97    H1*    T  10           H1'        T   3  -6.048   2.265  12.284
   98    H3     T  10           H3         T   3  -3.115  -0.845  10.685
   99   1H5M    T  10          1H5M        T   3  -7.950  -3.272  11.239
  100   2H5M    T  10          2H5M        T   3  -7.322  -3.336   9.583
  101   3H5M    T  10          3H5M        T   3  -6.471  -4.184  10.887
  102    H6     T  10           H6         T   3  -7.851  -0.895  11.496
  103   1H5*    C  11          1H5'        C   4  -5.808   5.372  11.588
  104   2H5*    C  11          2H5'        C   4  -6.120   6.802  10.584
  105    H4*    C  11           H4'        C   4  -3.914   5.867  10.146
  106    H3*    C  11           H3'        C   4  -5.899   6.224   8.028
  107   1H2*    C  11          1H2'        C   4  -4.191   4.598   6.560
  108   2H2*    C  11          2H2'        C   4  -5.708   4.053   7.315
  109    H1*    C  11           H1'        C   4  -2.897   3.997   8.512
  110   1H4     C  11          1H4         C   4  -5.086  -2.231   7.147
  111   2H4     C  11          2H4         C   4  -3.365  -2.238   6.953
  112    H5     C  11           H5         C   4  -6.324  -0.239   7.964
  113    H6     C  11           H6         C   4  -6.111   2.100   8.519
  114   1H5*    T  12          1H5'        T   5  -1.202   7.006   7.491
  115   2H5*    T  12          2H5'        T   5  -1.014   8.294   6.286
  116    H4*    T  12           H4'        T   5   0.859   6.651   6.307
  117    H3*    T  12           H3'        T   5  -0.371   7.670   3.994
  118   1H2*    T  12          1H2'        T   5  -0.136   5.320   2.640
  119   2H2*    T  12          2H2'        T   5  -1.598   5.745   3.550
  120    H1*    T  12           H1'        T   5   0.817   4.137   4.513
  121    H3     T  12           H3         T   5  -1.157   0.007   4.317
  122   1H5M    T  12          1H5M        T   5  -5.333   2.254   5.439
  123   2H5M    T  12          2H5M        T   5  -5.119   3.752   4.505
  124   3H5M    T  12          3H5M        T   5  -5.341   2.203   3.671
  125    H6     T  12           H6         T   5  -2.897   4.468   4.721
  126   1H5*    C  13          1H5'        C   6   3.344   4.832   3.644
  127   2H5*    C  13          2H5'        C   6   4.448   5.439   2.394
  128    H4*    C  13           H4'        C   6   4.400   2.983   2.454
  129    H3*    C  13           H3'        C   6   3.935   4.525   0.042
  130   1H2*    C  13          1H2'        C   6   2.690   2.297  -0.995
  131   2H2*    C  13          2H2'        C   6   1.791   3.670  -0.276
  132    H1*    C  13           H1'        C   6   2.762   1.143   1.140
  133   1H4     C  13          1H4         C   6  -3.965   1.198   1.227
  134   2H4     C  13          2H4         C   6  -3.441  -0.471   1.085
  135    H5     C  13           H5         C   6  -2.355   3.072   1.300
  136    H6     C  13           H6         C   6  -0.007   3.637   1.227
  137    H3T    C  13          3HO'        C   6   5.687   3.078   0.489
  138   1H5*    C  15           H5'        C   1 -11.098  -7.069   0.119
  139   2H5*    C  15           H7         C   1 -11.988  -7.866   1.438
  140    H4*    C  15           H4'        C   1  -9.684  -8.808   1.029
  141    H3*    C  15           H3'        C   1 -10.744  -7.906   3.607
  142   1H2*    C  15          1H2'        C   1  -7.972  -8.388   4.264
  143   2H2*    C  15          2H2'        C   1  -8.876  -6.836   4.337
  144    H1*    C  15           H1'        C   1  -7.055  -7.921   2.186
  145   1H4     C  15          1H4         C   1  -5.930  -1.435   3.347
  146   2H4     C  15          2H4         C   1  -4.416  -2.248   3.013
  147    H5     C  15           H5         C   1  -8.076  -2.685   3.160
  148    H6     C  15           H6         C   1  -9.033  -4.871   2.781
  149   1H5*    T  16          1H5'        T   2  -7.823 -11.513   3.535
  150   2H5*    T  16          2H5'        T   2  -8.107 -12.552   4.946
  151    H4*    T  16           H4'        T   2  -5.689 -12.091   4.414
  152    H3*    T  16           H3'        T   2  -6.902 -11.766   7.071
  153   1H2*    T  16          1H2'        T   2  -4.445 -10.498   7.578
  154   2H2*    T  16          2H2'        T   2  -6.024  -9.714   7.406
  155    H1*    T  16           H1'        T   2  -3.916 -10.246   5.258
  156    H3     T  16           H3         T   2  -2.533  -5.889   5.118
  157   1H5M    T  16          1H5M        T   2  -6.838  -4.345   6.021
  158   2H5M    T  16          2H5M        T   2  -7.796  -5.819   6.236
  159   3H5M    T  16          3H5M        T   2  -6.867  -5.158   7.599
  160    H6     T  16           H6         T   2  -6.719  -7.961   6.169
  161   1H5*    C  17          1H5'       CH   3  -2.506 -13.389   6.178
  162   2H5*    C  17          2H5'       CH   3  -1.906 -14.361   7.541
  163    H4*    C  17           H4'       CH   3  -0.164 -12.920   6.403
  164    H3*    C  17           H3'       CH   3  -0.757 -12.862   9.313
  165   1H2*    C  17          1H2'       CH   3   1.347 -10.874   8.831
  166   2H2*    C  17          2H2'       CH   3  -0.250 -10.665   9.621
  167    H1*    C  17           H1'       CH   3   0.635 -10.183   6.782
  168    H3     C  17           H3        CH   3  -0.411  -5.817   7.508
  169   1H4     C  17          1H4        CH   3  -3.621  -5.483   9.066
  170   2H4     C  17          2H4        CH   3  -2.270  -4.639   8.362
  171    H5     C  17           H5        CH   3  -3.692  -8.010   9.227
  172    H6     C  17           H6        CH   3  -2.491 -10.032   8.668
  173   1H5*    T  18          1H5'        T   4   3.661 -12.302   8.059
  174   2H5*    T  18          2H5'        T   4   4.700 -12.935   9.353
  175    H4*    T  18           H4'        T   4   5.411 -10.664   8.529
  176    H3*    T  18           H3'        T   4   4.635 -11.173  11.374
  177   1H2*    T  18          1H2'        T   4   5.529  -8.405  11.105
  178   2H2*    T  18          2H2'        T   4   4.011  -9.072  11.770
  179    H1*    T  18           H1'        T   4   4.673  -8.073   8.996
  180    H3     T  18           H3         T   4   1.597  -4.776   9.996
  181   1H5M    T  18          1H5M        T   4  -0.452  -8.223  12.794
  182   2H5M    T  18          2H5M        T   4  -1.485  -8.172  11.358
  183   3H5M    T  18          3H5M        T   4  -0.435  -9.575  11.646
  184    H6     T  18           H6         T   4   1.766  -9.529  10.769
  185   1H5*    C  19          1H5'        C   5   8.434  -8.440  10.814
  186   2H5*    C  19          2H5'        C   5   9.529  -8.754  12.176
  187    H4*    C  19           H4'        C   5   9.199  -6.348  11.770
  188    H3*    C  19           H3'        C   5   8.628  -7.608  14.368
  189   1H2*    C  19          1H2'        C   5   7.562  -5.036  14.841
  190   2H2*    C  19          2H2'        C   5   6.637  -6.545  14.617
  191    H1*    C  19           H1'        C   5   7.449  -4.466  12.541
  192   1H4     C  19          1H4         C   5   0.708  -4.866  13.004
  193   2H4     C  19          2H4         C   5   1.196  -3.186  13.071
  194    H5     C  19           H5         C   5   2.479  -6.691  13.091
  195    H6     C  19           H6         C   5   4.867  -7.094  13.005
  196   1H5*    T  20          1H5'        T   6   9.837  -3.169  14.345
  197   2H5*    T  20          2H5'        T   6  10.840  -2.724  15.740
  198    H4*    T  20           H4'        T   6   9.032  -1.091  15.301
  199    H3*    T  20           H3'        T   6   9.320  -2.462  17.906
  200   1H2*    T  20          1H2'        T   6   6.871  -1.090  18.291
  201   2H2*    T  20          2H2'        T   6   7.108  -2.854  18.184
  202    H1*    T  20           H1'        T   6   6.350  -0.883  15.987
  203    H3     T  20           H3         T   6   2.080  -2.608  16.021
  204   1H5M    T  20          1H5M        T   6   4.198  -6.970  15.794
  205   2H5M    T  20          2H5M        T   6   5.580  -6.701  16.877
  206   3H5M    T  20          3H5M        T   6   3.930  -6.740  17.529
  207    H6     T  20           H6         T   6   6.435  -4.532  16.661
  208    H3T    T  20          3HO'        T   6   9.033  -0.291  18.585
   
  No H/Q in entry =         208
  Start of MODEL    7
    1   1H5*    G   1           H5'        G   1  -4.558  -9.150  -1.112
    2   2H5*    G   1          2H5'        G   1  -3.279 -11.508  -2.045
    3    H4*    G   1           H4'        G   1  -1.447  -9.969  -2.658
    4    H3*    G   1           H3'        G   1  -1.826 -11.023  -0.103
    5   1H2*    G   1          1H2'        G   1  -1.078  -8.740   1.195
    6   2H2*    G   1          2H2'        G   1  -2.793  -9.006   0.756
    7    H1*    G   1           H1'        G   1  -0.684  -7.529  -0.867
    8    H8     G   1           H8         G   1  -4.530  -7.195  -0.257
    9    H1     G   1           H1         G   1  -1.098  -1.903   0.985
   10   1H2     G   1          1H2         G   1   1.617  -4.041   0.162
   11   2H2     G   1          2H2         G   1   1.167  -2.428   0.694
   12   1H5*    A   2          1H5'        A   2   2.028  -8.276  -0.623
   13   2H5*    A   2          2H5'        A   2   3.393  -9.162   0.081
   14    H4*    A   2           H4'        A   2   3.546  -6.767   0.411
   15    H3*    A   2           H3'        A   2   3.712  -8.666   2.627
   16   1H2*    A   2          1H2'        A   2   3.502  -6.330   4.181
   17   2H2*    A   2          2H2'        A   2   2.189  -7.505   3.953
   18    H1*    A   2           H1'        A   2   2.752  -4.975   2.371
   19    H8     A   2           H8         A   2  -0.375  -7.125   3.355
   20   1H6     A   2          1H6         A   2  -2.978  -1.660   4.626
   21   2H6     A   2          2H6         A   2  -3.204  -3.402   4.623
   22    H2     A   2           H2         A   2   1.300  -0.927   3.629
   23   1H5*    G   3          1H5'        G   3   5.899  -4.553   2.765
   24   2H5*    G   3          2H5'        G   3   7.432  -4.636   3.656
   25    H4*    G   3           H4'        G   3   6.091  -2.655   4.234
   26    H3*    G   3           H3'        G   3   7.075  -4.531   6.243
   27   1H2*    G   3          1H2'        G   3   5.250  -3.289   7.934
   28   2H2*    G   3          2H2'        G   3   4.943  -4.844   7.110
   29    H1*    G   3           H1'        G   3   4.259  -2.066   6.063
   30    H8     G   3           H8         G   3   2.644  -5.645   6.291
   31    H1     G   3           H1         G   3  -1.367  -0.743   7.399
   32   1H2     G   3          1H2         G   3   1.543   1.197   6.947
   33   2H2     G   3          2H2         G   3  -0.150   1.228   7.396
   34   1H5*    A   4          1H5'        A   4   6.454   0.132   7.058
   35   2H5*    A   4          2H5'        A   4   7.662   0.675   8.236
   36    H4*    A   4           H4'        A   4   5.515   1.788   8.482
   37    H3*    A   4           H3'        A   4   6.881   0.474  10.677
   38   1H2*    A   4          1H2'        A   4   4.428   0.660  11.986
   39   2H2*    A   4          2H2'        A   4   5.060  -0.846  11.280
   40    H1*    A   4           H1'        A   4   3.181   1.177  10.024
   41    H8     A   4           H8         A   4   3.842  -2.691   9.860
   42   1H6     A   4          1H6         A   4  -2.293  -3.151  10.359
   43   2H6     A   4          2H6         A   4  -0.766  -4.010  10.414
   44    H2     A   4           H2         A   4  -1.245   1.171  10.558
   45   1H5*    G   5          1H5'        G   5   3.948   4.196  11.842
   46   2H5*    G   5          2H5'        G   5   4.656   4.949  13.283
   47    H4*    G   5           H4'        G   5   2.239   4.729  13.461
   48    H3*    G   5           H3'        G   5   4.022   3.686  15.499
   49   1H2*    G   5          1H2'        G   5   1.927   2.089  16.317
   50   2H2*    G   5          2H2'        G   5   3.236   1.517  15.241
   51    H1*    G   5           H1'        G   5   0.561   2.706  14.394
   52    H8     G   5           H8         G   5   3.004  -0.239  13.405
   53    H1     G   5           H1         G   5  -3.189  -1.876  13.738
   54   1H2     G   5          1H2         G   5  -3.628   1.527  14.627
   55   2H2     G   5          2H2         G   5  -4.421  -0.027  14.445
   56   1H5*    A   6          1H5'        A   6  -0.501   4.427  16.453
   57   2H5*    A   6          2H5'        A   6  -0.679   5.105  18.084
   58    H4*    A   6           H4'        A   6  -2.405   3.459  17.676
   59    H3*    A   6           H3'        A   6  -0.557   3.188  19.911
   60   1H2*    A   6          1H2'        A   6  -1.343   0.553  20.018
   61   2H2*    A   6          2H2'        A   6   0.160   1.075  19.184
   62    H1*    A   6           H1'        A   6  -2.611   0.786  17.938
   63    H8     A   6           H8         A   6   1.112  -0.094  17.042
   64   1H6     A   6          1H6         A   6  -1.233  -5.642  15.476
   65   2H6     A   6          2H6         A   6   0.247  -4.716  15.697
   66    H2     A   6           H2         A   6  -4.569  -3.096  16.886
   67    H3T    A   6          3HO'        A   6  -2.822   3.649  20.005
   68   1H5*    T   8           H5'        T   1  -7.718 -11.343  18.609
   69   2H5*    T   8          2H5'        T   1  -8.661 -11.250  16.511
   70    H4*    T   8           H4'        T   1  -9.404  -9.008  18.444
   71    H3*    T   8           H3'        T   1 -10.136  -9.306  15.665
   72   1H2*    T   8          1H2'        T   1  -8.657  -7.027  15.157
   73   2H2*    T   8          2H2'        T   1  -8.048  -8.679  14.871
   74    H1*    T   8           H1'        T   1  -7.747  -7.008  17.412
   75    H3     T   8           H3         T   1  -3.588  -5.519  16.195
   76   1H5M    T   8          1H5M        T   1  -3.613 -10.689  15.017
   77   2H5M    T   8          2H5M        T   1  -3.994  -9.909  13.465
   78   3H5M    T   8          3H5M        T   1  -2.441  -9.597  14.263
   79    H6     T   8           H6         T   1  -5.939  -9.648  15.498
   80   1H5*    C   9          1H5'        C   2 -10.357  -4.754  17.424
   81   2H5*    C   9          2H5'        C   2 -11.802  -4.078  16.647
   82    H4*    C   9           H4'        C   2 -10.049  -2.436  16.790
   83    H3*    C   9           H3'        C   2 -11.254  -3.163  14.231
   84   1H2*    C   9          1H2'        C   2  -9.105  -1.834  13.113
   85   2H2*    C   9          2H2'        C   2  -9.250  -3.605  13.235
   86    H1*    C   9           H1'        C   2  -7.902  -1.701  15.192
   87   1H4     C   9          1H4         C   2  -3.222  -5.980  13.012
   88   2H4     C   9          2H4         C   2  -2.510  -4.392  13.068
   89    H5     C   9           H5         C   2  -5.675  -6.315  13.280
   90    H6     C   9           H6         C   2  -7.696  -5.246  14.063
   91   1H5*    T  10          1H5'        T   3  -9.411   1.146  15.036
   92   2H5*    T  10          2H5'        T   3 -10.417   2.355  14.213
   93    H4*    T  10           H4'        T   3  -8.012   2.895  14.101
   94    H3*    T  10           H3'        T   3  -9.743   2.746  11.774
   95   1H2*    T  10          1H2'        T   3  -7.390   2.588  10.308
   96   2H2*    T  10          2H2'        T   3  -8.420   1.191  10.708
   97    H1*    T  10           H1'        T   3  -6.039   2.267  12.296
   98    H3     T  10           H3         T   3  -3.110  -0.850  10.702
   99   1H5M    T  10          1H5M        T   3  -7.949  -3.269  11.260
  100   2H5M    T  10          2H5M        T   3  -7.322  -3.335   9.603
  101   3H5M    T  10          3H5M        T   3  -6.471  -4.183  10.906
  102    H6     T  10           H6         T   3  -7.846  -0.891  11.510
  103   1H5*    C  11          1H5'        C   4  -5.787   5.376  11.587
  104   2H5*    C  11          2H5'        C   4  -6.102   6.804  10.581
  105    H4*    C  11           H4'        C   4  -3.899   5.870  10.134
  106    H3*    C  11           H3'        C   4  -5.894   6.216   8.025
  107   1H2*    C  11          1H2'        C   4  -4.195   4.583   6.554
  108   2H2*    C  11          2H2'        C   4  -5.707   4.041   7.322
  109    H1*    C  11           H1'        C   4  -2.889   3.994   8.502
  110   1H4     C  11          1H4         C   4  -5.071  -2.243   7.173
  111   2H4     C  11          2H4         C   4  -3.350  -2.249   6.971
  112    H5     C  11           H5         C   4  -6.310  -0.251   7.985
  113    H6     C  11           H6         C   4  -6.099   2.090   8.531
  114   1H5*    T  12          1H5'        T   5  -1.197   7.026   7.446
  115   2H5*    T  12          2H5'        T   5  -1.033   8.308   6.231
  116    H4*    T  12           H4'        T   5   0.855   6.683   6.240
  117    H3*    T  12           H3'        T   5  -0.407   7.677   3.936
  118   1H2*    T  12          1H2'        T   5  -0.186   5.320   2.594
  119   2H2*    T  12          2H2'        T   5  -1.635   5.745   3.524
  120    H1*    T  12           H1'        T   5   0.803   4.154   4.458
  121    H3     T  12           H3         T   5  -1.147   0.010   4.331
  122   1H5M    T  12          1H5M        T   5  -5.130   3.734   4.508
  123   2H5M    T  12          2H5M        T   5  -5.345   2.179   3.682
  124   3H5M    T  12          3H5M        T   5  -5.331   2.240   5.450
  125    H6     T  12           H6         T   5  -2.911   4.463   4.705
  126   1H5*    C  13          1H5'        C   6   3.348   4.873   3.559
  127   2H5*    C  13          2H5'        C   6   4.420   5.477   2.279
  128    H4*    C  13           H4'        C   6   4.406   3.018   2.377
  129    H3*    C  13           H3'        C   6   3.900   4.523  -0.040
  130   1H2*    C  13          1H2'        C   6   2.641   2.275  -1.038
  131   2H2*    C  13          2H2'        C   6   1.754   3.653  -0.316
  132    H1*    C  13           H1'        C   6   2.760   1.147   1.112
  133   1H4     C  13          1H4         C   6  -3.968   1.169   1.244
  134   2H4     C  13          2H4         C   6  -3.438  -0.498   1.109
  135    H5     C  13           H5         C   6  -2.366   3.050   1.300
  136    H6     C  13           H6         C   6  -0.021   3.624   1.207
  137    H3T    C  13          3HO'        C   6   5.002   2.763  -0.924
  138   1H5*    C  15           H5'        C   1 -11.145  -7.029   0.199
  139   2H5*    C  15           H7         C   1 -12.021  -7.831   1.524
  140    H4*    C  15           H4'        C   1  -9.730  -8.786   1.074
  141    H3*    C  15           H3'        C   1 -10.749  -7.901   3.673
  142   1H2*    C  15          1H2'        C   1  -7.972  -8.396   4.293
  143   2H2*    C  15          2H2'        C   1  -8.869  -6.841   4.386
  144    H1*    C  15           H1'        C   1  -7.079  -7.920   2.208
  145   1H4     C  15          1H4         C   1  -5.910  -1.447   3.396
  146   2H4     C  15          2H4         C   1  -4.404  -2.266   3.038
  147    H5     C  15           H5         C   1  -8.065  -2.686   3.226
  148    H6     C  15           H6         C   1  -9.037  -4.866   2.846
  149   1H5*    T  16          1H5'        T   2  -7.828 -11.503   3.536
  150   2H5*    T  16          2H5'        T   2  -8.097 -12.557   4.938
  151    H4*    T  16           H4'        T   2  -5.686 -12.092   4.393
  152    H3*    T  16           H3'        T   2  -6.878 -11.782   7.061
  153   1H2*    T  16          1H2'        T   2  -4.413 -10.523   7.556
  154   2H2*    T  16          2H2'        T   2  -5.992  -9.734   7.403
  155    H1*    T  16           H1'        T   2  -3.903 -10.255   5.234
  156    H3     T  16           H3         T   2  -2.511  -5.901   5.109
  157   1H5M    T  16          1H5M        T   2  -6.805  -4.354   6.061
  158   2H5M    T  16          2H5M        T   2  -7.765  -5.827   6.277
  159   3H5M    T  16          3H5M        T   2  -6.821  -5.177   7.634
  160    H6     T  16           H6         T   2  -6.693  -7.971   6.186
  161   1H5*    C  17          1H5'       CH   3  -2.483 -13.392   6.135
  162   2H5*    C  17          2H5'       CH   3  -1.877 -14.374   7.488
  163    H4*    C  17           H4'       CH   3  -0.140 -12.920   6.360
  164    H3*    C  17           H3'       CH   3  -0.731 -12.883   9.272
  165   1H2*    C  17          1H2'       CH   3   1.367 -10.887   8.804
  166   2H2*    C  17          2H2'       CH   3  -0.231 -10.687   9.594
  167    H1*    C  17           H1'       CH   3   0.654 -10.189   6.756
  168    H3     C  17           H3        CH   3  -0.393  -5.825   7.501
  169   1H4     C  17          1H4        CH   3  -3.596  -5.499   9.076
  170   2H4     C  17          2H4        CH   3  -2.248  -4.651   8.370
  171    H5     C  17           H5        CH   3  -3.667  -8.026   9.224
  172    H6     C  17           H6        CH   3  -2.467 -10.045   8.653
  173   1H5*    T  18          1H5'        T   4   3.686 -12.298   8.028
  174   2H5*    T  18          2H5'        T   4   4.724 -12.935   9.321
  175    H4*    T  18           H4'        T   4   5.428 -10.655   8.518
  176    H3*    T  18           H3'        T   4   4.638 -11.184  11.356
  177   1H2*    T  18          1H2'        T   4   5.529  -8.412  11.104
  178   2H2*    T  18          2H2'        T   4   4.011  -9.085  11.761
  179    H1*    T  18           H1'        T   4   4.680  -8.074   8.993
  180    H3     T  18           H3         T   4   1.600  -4.784   9.999
  181   1H5M    T  18          1H5M        T   4  -0.445  -9.589  11.608
  182   2H5M    T  18          2H5M        T   4  -0.436  -8.262  12.785
  183   3H5M    T  18          3H5M        T   4  -1.483  -8.169  11.362
  184    H6     T  18           H6         T   4   1.769  -9.540  10.751
  185   1H5*    C  19          1H5'        C   5   8.435  -8.442  10.828
  186   2H5*    C  19          2H5'        C   5   9.524  -8.759  12.194
  187    H4*    C  19           H4'        C   5   9.193  -6.352  11.795
  188    H3*    C  19           H3'        C   5   8.606  -7.622  14.386
  189   1H2*    C  19          1H2'        C   5   7.544  -5.047  14.859
  190   2H2*    C  19          2H2'        C   5   6.617  -6.555  14.631
  191    H1*    C  19           H1'        C   5   7.438  -4.474  12.560
  192   1H4     C  19          1H4         C   5   0.696  -4.875  12.995
  193   2H4     C  19          2H4         C   5   1.184  -3.195  13.080
  194    H5     C  19           H5         C   5   2.467  -6.701  13.083
  195    H6     C  19           H6         C   5   4.854  -7.104  13.001
  196   1H5*    T  20          1H5'        T   6   9.825  -3.185  14.387
  197   2H5*    T  20          2H5'        T   6  10.822  -2.749  15.789
  198    H4*    T  20           H4'        T   6   9.019  -1.110  15.347
  199    H3*    T  20           H3'        T   6   9.292  -2.491  17.947
  200   1H2*    T  20          1H2'        T   6   6.844  -1.118  18.327
  201   2H2*    T  20          2H2'        T   6   7.078  -2.881  18.214
  202    H1*    T  20           H1'        T   6   6.333  -0.901  16.021
  203    H3     T  20           H3         T   6   2.061  -2.619  16.033
  204   1H5M    T  20          1H5M        T   6   5.552  -6.721  16.885
  205   2H5M    T  20          2H5M        T   6   3.896  -6.761  17.526
  206   3H5M    T  20          3H5M        T   6   4.176  -6.983  15.791
  207    H6     T  20           H6         T   6   6.411  -4.553  16.678
  208    H3T    T  20          3HO'        T   6   9.006  -0.322  18.634
   
  No H/Q in entry =         208