*HEADER    DNA                                     20-JAN-99   1TTD              
*TITLE     SOLUTION-STATE STRUCTURE OF A DNA DODECAMER DUPLEX                    
*TITLE    2 CONTAINING A CIS-SYN THYMINE CYCLOBUTANE DIMER                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA (5'-D(*GP*CP*AP*CP*GP*AP*AP*TP*TP*AP*AP*G)-            
*COMPND   3 3');                                                                 
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MOL_ID: 2;                                                           
*COMPND   7 MOLECULE: DNA (5'-D(*CP*TP*TP*AP*AP*TP*TP*CP*GP*TP*GP*C)-            
*COMPND   8 3');                                                                 
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 MOL_ID: 2;                                                           
*SOURCE   4 SYNTHETIC: YES                                                       
*KEYWDS    DNA STRUCTURE, NMR, UV-PHOTOPRODUCTS, BII BACKBONE                    
*EXPDTA    NMR                                                                   
*AUTHOR    K.MCATEER, Y.JING, J.KAO, J.-S.TAYLOR, M.A.KENNEDY                    
*REVDAT   3   14-JUN-00 1TTD    2       DBREF                                    
*REVDAT   2   09-FEB-99 1TTD    1                                                
*REVDAT   1   02-FEB-99 1TTD    0                                                

!BIOSYM restraint 1
#NOE_distance
!   G     1
!   C     2
!   A     3
!   C     4
!   G     5
!   A     6
!   A     7
!   T     8
!   T     9
!   A     10
!   A     11
!   G     12
!   C     1
!   T     2
!   T     3
!   A     4
!   A     5
!   T     6
!   T     7
!   C     8
!   G     9
!   T     10
!   G     11
!   C     12
!     H-Bond Constraints 
!     Won't normally change 
1:G_1:O6            2:C_12:H42           1.70   2.10      0.000     30.000  30.000   100.00
1:G_1:H1            2:C_12:N3            1.70   2.10      0.000     30.000  30.000   100.00
1:G_1:H22           2:C_12:O2            1.70   2.10      0.000     30.000  30.000   100.00
1:C_2:H42           2:G_11:O6            1.70   2.10      0.000     30.000  30.000   100.00
1:C_2:N3            2:G_11:H1            1.70   2.10      0.000     30.000  30.000   100.00
1:C_2:O2            2:G_11:H22           1.70   2.10      0.000     30.000  30.000   100.00
1:A_3:H61           2:T_10:O4            1.70   2.10      0.000     30.000  30.000   100.00
1:A_3:N1            2:T_10:H3            1.70   2.10      0.000     30.000  30.000   100.00
1:C_4:H42           2:G_9:O6             1.70   2.10      0.000     30.000  30.000   100.00
1:C_4:N3            2:G_9:H1             1.70   2.10      0.000     30.000  30.000   100.00
1:C_4:O2            2:G_9:H22            1.70   2.10      0.000     30.000  30.000   100.00
1:G_5:O6            2:C_8:H42            1.70   2.10      0.000     30.000  30.000   100.00
1:G_5:H1            2:C_8:N3             1.70   2.10      0.000     30.000  30.000   100.00
1:G_5:H22           2:C_8:O2             1.70   2.10      0.000     30.000  30.000   100.00
1:A_6:H61           2:T_7:O4             1.70   2.10      0.000     30.000  30.000   100.00
1:A_6:N1            2:T_7:H3             1.70   2.10      0.000     30.000  30.000   100.00
1:A_7:H61           2:T_6:O4             1.70   2.10      0.000     30.000  30.000   100.00
1:A_7:N1            2:T_6:H3             1.70   2.10      0.000     30.000  30.000   100.00
1:T_8:O4            2:A_5:H61            1.70   2.10      0.000     30.000  30.000   100.00
1:T_8:H3            2:A_5:N1             1.70   2.10      0.000     30.000  30.000   100.00
1:T_9:O4            2:A_4:H61            1.70   2.10      0.000     30.000  30.000   100.00
1:T_9:H3            2:A_4:N1             1.70   2.10      0.000     30.000  30.000   100.00
1:A_10:H61          2:T_3:O4             1.70   2.10      0.000     30.000  30.000   100.00
1:A_10:N1           2:T_3:H3             1.70   2.10      0.000     30.000  30.000   100.00
1:A_11:H61          2:T_2:O4             1.70   2.10      0.000     30.000  30.000   100.00
1:A_11:N1           2:T_2:H3             1.70   2.10      0.000     30.000  30.000   100.00
1:G_12:O6           2:C_1:H42            1.70   2.10      0.000     30.000  30.000   100.00
1:G_12:H1           2:C_1:N3             1.70   2.10      0.000     30.000  30.000   100.00
!      (n)H6 to (n)H5
1:C_2:H6            1:C_2:H5             2.46   2.48      0.000     300.00  300.00   100.00
1:C_4:H6            1:C_4:H5             2.46   2.48      0.000     300.00  300.00   100.00
2:C_1:H6            2:C_1:H5             2.46   2.48      0.000     300.00  300.00   100.00
2:C_8:H6            2:C_8:H5             2.46   2.48      0.000     300.00  300.00   100.00
2:C_12:H6           2:C_12:H5            2.46   2.48      0.000     300.00  300.00   100.00
!      (n)H5 to (n-1)H8/H6
1:C_4:H5            1:A_3:H8             3.80   4.00      0.000     300.00  300.00   100.00
2:C_8:H5            2:T_7:H6             3.60   3.80      0.000     300.00  300.00   100.00
2:C_12:H5           2:G_11:H8            4.50   6.00      0.000     300.00  300.00   100.00
!      (n)H5 to (n-1)H1'
1:C_2:H5            1:G_1:H1'            3.60   4.20      0.000     300.00  300.00   100.00
1:C_4:H5            1:A_3:H1'            3.60   4.20      0.000     300.00  300.00   100.00
2:C_8:H5            2:T_7:H1'            3.60   4.20      0.000     300.00  300.00   100.00
2:C_12:H5           2:G_11:H1'           3.60   4.20      0.000     300.00  300.00   100.00
!      (n)H2 to (n-1)H5
1:A_3:H2            1:C_2:H5             5.50   6.50      0.000     300.00  300.00   100.00
!      (n)H2 to (n)H1'
1:A_3:H2            1:A_3:H1'            4.30   4.50      0.000     100.00  100.00   100.00
1:A_6:H2            1:A_6:H1'            4.30   4.50      0.000     100.00  100.00   100.00
1:A_7:H2            1:A_7:H1'            4.30   4.50      0.000     100.00  100.00   100.00
1:A_10:H2           1:A_10:H1'           4.30   4.50      0.000     100.00  100.00   100.00
1:A_11:H2           1:A_11:H1'           4.30   4.50      0.000     100.00  100.00   100.00
2:A_4:H2            2:A_4:H1'            4.30   4.50      0.000     100.00  100.00   100.00
2:A_5:H2            2:A_5:H1'            4.30   4.50      0.000     100.00  100.00   100.00
!      (n)H2 to (n+1)H1'
1:A_3:H2            1:C_4:H1'            3.80   4.00      0.000     100.00  100.00   100.00
1:A_6:H2            1:A_7:H1'            3.80   4.00      0.000     100.00  100.00   100.00
1:A_7:H2            1:T_8:H1'            4.40   4.60      0.000     100.00  100.00   100.00
1:A_10:H2           1:A_11:H1'           3.80   4.00      0.000     100.00  100.00   100.00
1:A_11:H2           1:G_12:H1'           3.80   4.00      0.000     100.00  100.00   100.00
2:A_4:H2            2:A_5:H1'            3.80   4.00      0.000     100.00  100.00   100.00
2:A_5:H2            2:T_6:H1'            3.60   3.80      0.000     100.00  100.00   100.00
!      (n)H2 to (m+1)H1'
1:A_3:H2            2:G_11:H1'           4.00   4.20      0.000     100.00  100.00   100.00
1:A_6:H2            2:C_8:H1'            3.80   4.00      0.000     100.00  100.00   100.00
1:A_7:H2            2:T_7:H1'            3.70   3.90      0.000     100.00  100.00   100.00
1:A_10:H2           2:A_4:H1'            4.80   5.00      0.000     100.00  100.00   100.00
1:A_11:H2           2:T_3:H1'            4.50   4.70      0.000     100.00  100.00   100.00
2:A_4:H2            1:A_10:H1'           4.50   4.70      0.000     100.00  100.00   100.00
2:A_5:H2            1:T_9:H1'            4.50   4.70      0.000     100.00  100.00   100.00
!      (n)H1' to (n)H8/H6
!      will not normally change
1:G_1:H1'           1:G_1:H8             2.60   3.70      0.000     500.00  500.00   100.00
1:C_2:H1'           1:C_2:H6             3.50   3.70      0.000     500.00  500.00   100.00
1:A_3:H1'           1:A_3:H8             3.30   3.50      0.000     500.00  500.00   100.00
1:C_4:H1'           1:C_4:H6             3.20   3.40      0.000     800.00  500.00   100.00
1:G_5:H1'           1:G_5:H8             3.50   3.70      0.000     500.00  800.00   100.00
1:A_6:H1'           1:A_6:H8             3.50   3.70      0.000     500.00  500.00   100.00
1:A_7:H1'           1:A_7:H8             3.50   3.70      0.000     500.00  500.00   100.00
1:T_8:H1'           1:T_8:H6             3.50   3.70      0.000     500.00  500.00   100.00
1:T_9:H1'           1:T_9:H6             3.00   3.20      0.000     500.00  500.00   100.00
1:A_10:H1'          1:A_10:H8            3.50   3.70      0.000     500.00  500.00   100.00
1:A_11:H1'          1:A_11:H8            3.60   3.80      0.000     500.00  500.00   100.00
1:G_12:H1'          1:G_12:H8            3.50   3.70      0.000     500.00  500.00   100.00
2:C_1:H1'           2:C_1:H6             3.40   3.60      0.000     500.00  500.00   100.00
2:T_2:H1'           2:T_2:H6             3.00   3.20      0.000     500.00  500.00   100.00
2:T_3:H1'           2:T_3:H6             2.60   3.70      0.000     800.00  800.00   100.00
2:A_4:H1'           2:A_4:H8             3.50   3.70      0.000     500.00  500.00   100.00
2:A_5:H1'           2:A_5:H8             3.50   3.70      0.000     500.00  500.00   100.00
2:T_6:H1'           2:T_6:H6             3.20   3.40      0.000     500.00  500.00   100.00
2:T_7:H1'           2:T_7:H6             3.10   3.30      0.000     800.00  800.00   100.00
2:C_8:H1'           2:C_8:H6             3.50   3.70      0.000     500.00  500.00   100.00
2:G_9:H1'           2:G_9:H8             3.50   3.70      0.000     500.00  500.00   100.00
2:T_10:H1'          2:T_10:H6            3.20   3.40      0.000     800.00  800.00   100.00
2:G_11:H1'          2:G_11:H8            3.50   3.70      0.000     500.00  500.00   100.00
2:C_12:H1'          2:C_12:H6            3.50   3.70      0.000     500.00  500.00   100.00
!      (n-1)H1' to (n)H8/H6
!      constraints may change
1:G_1:H1'           1:C_2:H6             3.40   3.70      0.000     100.00  100.00   100.00
1:C_2:H1'           1:A_3:H8             3.50   3.70      0.000     500.00  500.00   100.00
1:A_3:H1'           1:C_4:H6             3.60   3.80      0.000     100.00  100.00   100.00
1:C_4:H1'           1:G_5:H8             3.70   3.90      0.000     500.00  500.00   100.00
1:G_5:H1'           1:A_6:H8             3.60   3.80      0.000     100.00  100.00   100.00
1:A_6:H1'           1:A_7:H8             3.40   3.70      0.000     100.00  100.00   100.00
1:A_7:H1'           1:T_8:H6             3.80   4.00      0.000     100.00  100.00   100.00
1:T_8:H1'           1:T_9:H6             3.80   4.00      0.000     100.00  100.00   100.00
1:T_9:H1'           1:A_10:H8            3.20   3.50      0.000     100.00  100.00   100.00
1:A_10:H1'          1:A_11:H8            3.60   3.90      0.000     500.00  500.00   100.00
1:A_11:H1'          1:G_12:H8            3.50   3.70      0.000     100.00  100.00   100.00
2:C_1:H1'           2:T_2:H6             3.70   4.00      0.000     100.00  100.00   100.00
2:T_2:H1'           2:T_3:H6             3.40   3.70      0.000     100.00  100.00   100.00
2:T_3:H1'           2:A_4:H8             3.60   3.90      0.000     100.00  100.00   100.00
2:A_4:H1'           2:A_5:H8             3.80   4.00      0.000     100.00  100.00   100.00
2:A_5:H1'           2:T_6:H6             3.80   4.00      0.000     500.00  500.00   100.00
2:T_6:H1'           2:T_7:H6             3.60   3.80      0.000     100.00  100.00   100.00
2:T_7:H1'           2:C_8:H6             3.40   3.70      0.000     100.00  100.00   100.00
2:C_8:H1'           2:G_9:H8             3.40   3.70      0.000     100.00  100.00   100.00
2:G_9:H1'           2:T_10:H6            3.40   3.80      0.000     100.00  100.00   100.00
2:T_10:H1'          2:G_11:H8            3.70   3.90      0.000     100.00  100.00   100.00
2:G_11:H1'          2:C_12:H6            3.40   3.70      0.000     100.00  100.00   100.00
!      (n)C5M to (n-1)H8/H6
1:T_8:C5M           1:A_7:H8             4.20   4.60      0.000     100.00  100.00   100.00
1:T_9:C5M           1:T_8:H6             3.20   3.50      0.000     100.00  100.00   100.00
2:T_2:C5M           2:C_1:H6             3.40   3.70      0.000     100.00  100.00   100.00
2:T_3:C5M           2:T_2:H6             3.40   3.70      0.000     100.00  100.00   100.00
2:T_6:C5M           2:A_5:H8             4.20   4.60      0.000     100.00  100.00   100.00
2:T_10:C5M          2:G_9:H8             3.50   4.00      0.000     100.00  100.00   100.00
!      (n)C5M to (n)H6
1:T_8:C5M          1:T_8:H6              3.20   3.60      0.000     100.00  100.00   100.00
1:T_9:C5M          1:T_9:H6              2.60   2.80      0.000     100.00  100.00   100.00
2:T_2:C5M          2:T_2:H6              2.80   3.00      0.000     100.00  100.00   100.00
2:T_3:C5M          2:T_3:H6              2.50   2.80      0.000     100.00  100.00   100.00
2:T_6:C5M          2:T_6:H6              2.80   3.40      0.000     100.00  100.00   100.00
2:T_7:C5M          2:T_7:H6              2.80   3.40      0.000     100.00  100.00   100.00
2:T_10:C5M         2:T_10:H6             2.80   3.40      0.000     100.00  100.00   100.00
!      (n)C5M to (n+1)H6
1:T_8:C5M          1:T_9:H6              4.00   4.50      0.000     100.00  100.00   100.00
!      (n)C5M to (n-1)C5M
2:T_3:C5M          2:T_2:C5M             3.50   3.90      0.000     100.00  100.00   100.00
!      (n)C5M to (n-1)H1'
1:T_8:C5M          1:A_7:H1'             4.20   4.80      0.000     100.00  100.00   100.00
!      (n)C5M to (n-1)H3'
1:T_8:C5M          1:A_7:H3'             5.50   6.00      0.000     100.00  100.00   100.00
2:T_6:C5M          2:A_5:H3'             5.00   6.00      0.000     100.00  100.00   100.00
!      (n)H2' to (n)H8/H6 constraints
!      these constraints may change
1:G_1:H2'2          1:G_1:H8             2.45   2.75      0.000     500.00  500.000  100.00
1:C_2:H2'2          1:C_2:H6             2.25   2.45      0.000     500.00  500.000  100.00
1:A_3:H2'2          1:A_3:H8             2.55   2.75      0.000     500.00  500.000  100.00
1:C_4:H2'2          1:C_4:H6             2.45   2.75      0.000     500.00  500.000  100.00
1:G_5:H2'2          1:G_5:H8             2.25   2.55      0.000     500.00  500.000  100.00
1:A_6:H2'2          1:A_6:H8             2.65   2.85      0.000     500.00  500.000  100.00
1:A_7:H2'2          1:A_7:H8             2.65   2.85      0.000     500.00  500.000  100.00
1:T_8:H2'2          1:T_8:H6             2.35   2.65      0.000     500.00  500.000  100.00
1:T_9:H2'2          1:T_9:H6             2.00   2.20      0.000     500.00  500.000  100.00
1:A_10:H2'2         1:A_10:H8            2.55   2.85      0.000     500.00  500.000  100.00
1:A_11:H2'2         1:A_11:H8            2.65   2.85      0.000     500.00  500.000  100.00
1:G_12:H2'2         1:G_12:H8            2.25   2.45      0.000     500.00  500.000  100.00
2:C_1:H2'2          2:C_1:H6             2.65   2.85      0.000     500.00  500.000  100.00
2:T_2:H2'2          2:T_2:H6             2.45   2.75      0.000     500.00  500.000  100.00
2:T_3:H2'2          2:T_3:H6             2.45   2.75      0.000     500.00  500.000  100.00
2:A_4:H2'2          2:A_4:H8             2.65   2.85      0.000     500.00  500.000  100.00
2:A_5:H2'2          2:A_5:H8             2.45   2.65      0.000     500.00  500.000  100.00
2:T_6:H2'2          2:T_6:H6             2.65   2.95      0.000     500.00  500.000  100.00
2:T_7:H2'2          2:T_7:H6             2.55   2.85      0.000     500.00  500.000  100.00
2:C_8:H2'2          2:C_8:H6             2.55   2.85      0.000     500.00  500.000  100.00
2:G_9:H2'2          2:G_9:H8             2.65   2.85      0.000     500.00  500.000  100.00
2:T_10:H2'2         2:T_10:H6            2.35   2.65      0.000     500.00  500.000  100.00
2:G_11:H2'2         2:G_11:H8            2.65   2.85      0.000     500.00  500.000  100.00
2:C_12:H2'2         2:C_12:H6            2.55   2.85      0.000     500.00  500.000  100.00
!      (n-1)H2' to (n)H8/H6 constraints
!      these constraints may change
1:G_1:H2'2          1:C_2:H6             4.15   4.45      0.000     500.00  500.00   100.00
1:C_2:H2'2          1:A_3:H8             4.25   4.45      0.000     500.00  500.00   100.00
1:A_3:H2'2          1:C_4:H6             4.05   4.45      0.000     500.00  500.00   100.00
1:C_4:H2'2          1:G_5:H8             3.85   4.25      0.000     500.00  500.00   100.00
1:G_5:H2'2          1:A_6:H8             3.85   4.25      0.000     500.00  500.00   100.00
1:A_6:H2'2          1:A_7:H8             4.15   4.35      0.000     500.00  500.00   100.00
1:A_7:H2'2          1:T_8:H6             4.05   4.45      0.000     500.00  500.00   100.00
1:T_8:H2'2          1:T_9:H6             3.35   3.55      0.000     500.00  500.00   100.00
1:T_9:H2'2          1:A_10:H8            4.75   4.95      0.000     500.00  500.00   100.00
1:A_10:H2'2         1:A_11:H8            3.95   4.25      0.000     500.00  500.00   100.00
1:A_11:H2'2         1:G_12:H8            3.85   4.05      0.000     500.00  500.00   100.00
2:C_1:H2'2          2:T_2:H6             3.85   4.05      0.000     500.00  500.00   100.00
2:T_2:H2'2          2:T_3:H6             4.05   4.45      0.000     500.00  500.00   100.00
2:T_3:H2'2          2:A_4:H8             3.85   4.25      0.000     500.00  500.00   100.00
2:A_4:H2'2          2:A_5:H8             3.95   4.15      0.000     500.00  500.00   100.00
2:A_5:H2'2          2:T_6:H6             4.05   4.45      0.000     500.00  500.00   100.00
2:T_6:H2'2          2:T_7:H6             3.85   4.05      0.000     500.00  500.00   100.00
2:T_7:H2'2          2:C_8:H6             3.45   3.75      0.000     500.00  500.00   100.00
2:C_8:H2'2          2:G_9:H8             3.85   4.25      0.000     500.00  500.00   100.00
2:G_9:H2'2          2:T_10:H6            4.05   4.45      0.000     500.00  500.00   100.00
2:T_10:H2'2         2:G_11:H8            3.95   4.15      0.000     500.00  500.00   100.00
2:G_11:H2'2         2:C_12:H6            3.85   4.05      0.000     500.00  500.00   100.00
!      (n)H2'' to (n)H8/H6 constraints
!      these constraints may change
1:G_1:H2'1          1:G_1:H8             3.80   4.20      0.000     500.00  500.00   100.00
1:C_2:H2'1          1:C_2:H6             3.40   3.60      0.000     500.00  500.00   100.00
1:A_3:H2'1          1:A_3:H8             3.90   4.20      0.000     500.00  500.00   100.00
1:C_4:H2'1          1:C_4:H6             3.60   4.00      0.000     500.00  500.00   100.00
1:G_5:H2'1          1:G_5:H8             3.40   3.60      0.000     500.00  500.00   100.00
1:A_6:H2'1          1:A_6:H8             3.90   4.20      0.000     500.00  500.00   100.00
1:A_7:H2'1          1:A_7:H8             3.90   4.20      0.000     500.00  500.00   100.00
1:T_8:H2'1          1:T_8:H6             3.20   3.50      0.000     500.00  500.00   100.00
1:T_9:H2'1          1:T_9:H6             2.60   2.80      0.000     500.00  500.00   100.00
1:A_10:H2'1         1:A_10:H8            3.80   4.20      0.000     500.00  500.00   100.00
1:A_11:H2'1         1:A_11:H8            3.80   4.20      0.000     500.00  500.00   100.00
1:G_12:H2'1         1:G_12:H8            3.60   3.80      0.000     500.00  500.00   100.00
2:C_1:H2'1          2:C_1:H6             3.60   3.80      0.000     500.00  500.00   100.00
2:T_2:H2'1          2:T_2:H6             3.40   3.60      0.000     500.00  500.00   100.00
2:T_3:H2'1          2:T_3:H6             2.80   3.00      0.000     500.00  500.00   100.00
2:A_4:H2'1          2:A_4:H8             3.90   4.10      0.000     500.00  800.00   100.00
2:A_5:H2'1          2:A_5:H8             3.80   4.20      0.000     500.00  500.00   100.00
2:T_6:H2'1          2:T_6:H6             3.40   3.60      0.000     500.00  500.00   100.00
2:T_7:H2'1          2:T_7:H6             3.20   3.40      0.000     800.00  800.00   100.00
2:C_8:H2'1          2:C_8:H6             3.40   3.60      0.000     500.00  500.00   100.00
2:G_9:H2'1          2:G_9:H8             3.80   4.20      0.000     500.00  500.00   100.00
2:T_10:H2'1         2:T_10:H6            3.50   3.80      0.000     500.00  500.00   100.00
2:G_11:H2'1         2:G_11:H8            3.40   3.60      0.000     500.00  500.00   100.00
2:C_12:H2'1         2:C_12:H6            3.60   3.80      0.000     500.00  500.00   100.00
!      (n-1)H2'' to (n)H8/H6 constraints
!      these constraints may change
1:G_1:H2'1          1:C_2:H6             2.70   3.00      0.000     500.00  500.00   100.00
1:C_2:H2'1          1:A_3:H8             3.00   3.20      0.000     800.00  800.00   100.00
1:A_3:H2'1          1:C_4:H6             2.60   3.00      0.000     500.00  500.00   100.00
1:C_4:H2'1          1:G_5:H8             3.00   3.20      0.000     500.00  500.00   100.00
1:G_5:H2'1          1:A_6:H8             3.00   3.20      0.000     500.00  500.00   100.00
1:A_6:H2'1          1:A_7:H8             2.80   3.00      0.000     500.00  500.00   100.00
1:A_7:H2'1          1:T_8:H6             2.15   2.55      0.000     500.00  500.00   100.00
1:T_8:H2'1          1:T_9:H6             2.45   2.75      0.000     500.00  500.00   100.00
1:T_9:H2'1          1:A_10:H8            3.00   3.20      0.000     500.00  500.00   100.00
1:A_10:H2'1         1:A_11:H8            2.50   2.90      0.000     500.00  500.00   100.00
1:A_11:H2'1         1:G_12:H8            2.50   2.70      0.000     500.00  500.00   100.00
2:C_1:H2'1          2:T_2:H6             2.60   3.00      0.000     500.00  500.00   100.00
2:T_2:H2'1          2:T_3:H6             2.60   2.80      0.000     500.00  500.00   100.00
2:T_3:H2'1          2:A_4:H8             2.60   2.90      0.000     500.00  500.00   100.00
2:A_4:H2'1          2:A_5:H8             2.80   3.00      0.000     500.00  500.00   100.00
2:A_5:H2'1          2:T_6:H6             2.50   2.80      0.000     500.00  500.00   100.00
2:T_6:H2'1          2:T_7:H6             2.80   3.00      0.000     500.00  500.00   100.00
2:T_7:H2'1          2:C_8:H6             2.80   3.00      0.000     500.00  500.00   100.00
2:C_8:H2'1          2:G_9:H8             2.80   3.00      0.000     500.00  500.00   100.00
2:G_9:H2'1          2:T_10:H6            2.80   3.00      0.000     500.00  500.00   100.00
2:T_10:H2'1         2:G_11:H8            3.00   3.20      0.000     800.00  800.00   100.00
2:G_11:H2'1         2:C_12:H6            3.00   3.20      0.000     500.00  500.00   100.00
!      (n)H2' to (n-1)H8/H6
1:T_9:H2'2          1:T_8:H6             3.80   4.00      0.000     100.00  100.00   100.00
!      (n)H3' to (n)H8/H6
1:G_1:H3'           1:G_1:H8             4.95   5.35      0.000     100.00  100.00   100.00
1:C_2:H3'           1:C_2:H6             3.85   4.25      0.000     100.00  100.00   100.00
1:A_3:H3'           1:A_3:H8             4.95   5.35      0.000     100.00  100.00   100.00
1:C_4:H3'           1:C_4:H6             3.85   4.25      0.000     100.00  100.00   100.00
1:G_5:H3'           1:G_5:H8             4.95   5.35      0.000     100.00  100.00   100.00
1:A_6:H3'           1:A_6:H8             4.95   5.35      0.000     100.00  100.00   100.00
1:A_7:H3'           1:A_7:H8             4.95   5.35      0.000     100.00  100.00   100.00
1:T_8:H3'           1:T_8:H6             3.65   4.75      0.000     100.00  100.00   100.00
1:T_9:H3'           1:T_9:H6             3.65   4.75      0.000     100.00  100.00   100.00
1:A_10:H3'          1:A_10:H8            4.95   5.35      0.000     100.00  100.00   100.00
1:A_11:H3'          1:A_11:H8            4.95   5.35      0.000     100.00  100.00   100.00
1:G_12:H3'          1:G_12:H8            4.15   4.45      0.000     100.00  100.00   100.00
2:C_1:H3'           2:C_1:H6             3.85   4.25      0.000     100.00  100.00   100.00
2:T_2:H3'           2:T_2:H6             3.85   4.25      0.000     100.00  100.00   100.00
2:T_3:H3'           2:T_3:H6             3.85   4.25      0.000     100.00  100.00   100.00
2:A_4:H3'           2:A_4:H8             4.95   5.35      0.000     100.00  100.00   100.00
2:A_5:H3'           2:A_5:H8             4.95   5.35      0.000     100.00  100.00   100.00
2:T_6:H3'           2:T_6:H6             3.85   4.25      0.000     100.00  100.00   100.00
2:T_7:H3'           2:T_7:H6             3.65   3.95      0.000     100.00  100.00   100.00
2:C_8:H3'           2:C_8:H6             3.85   4.25      0.000     100.00  100.00   100.00
2:G_9:H3'           2:G_9:H8             4.95   5.35      0.000     100.00  100.00   100.00
2:T_10:H3'          2:T_10:H6            3.85   4.25      0.000     100.00  100.00   100.00
2:G_11:H3'          2:G_11:H8            4.95   5.35      0.000     100.00  100.00   100.00
2:C_12:H3'          2:C_12:H6            3.85   4.25      0.000     100.00  100.00   100.00
!      (n-1)H3' to (n)H8/H6
1:G_1:H3'           1:C_2:H6             4.95   6.05      0.000     100.00  100.00   100.00
1:C_2:H3'           1:A_3:H8             4.95   6.05      0.000     100.00  100.00   100.00
1:A_3:H3'           1:C_4:H6             4.95   6.05      0.000     100.00  100.00   100.00
1:C_4:H3'           1:G_5:H8             4.95   6.05      0.000     100.00  100.00   100.00
1:G_5:H3'           1:A_6:H8             4.95   6.05      0.000     100.00  100.00   100.00
1:A_6:H3'           1:A_7:H8             4.95   6.05      0.000     100.00  100.00   100.00
1:A_7:H3'           1:T_8:H6             4.95   6.05      0.000     100.00  100.00   100.00
1:T_8:H3'           1:T_9:H6             4.95   6.05      0.000     100.00  100.00   100.00
1:T_9:H3'           1:A_10:H8            4.95   6.05      0.000     100.00  100.00   100.00
1:A_10:H3'          1:A_11:H8            4.95   6.05      0.000     100.00  100.00   100.00
1:A_11:H3'          1:G_12:H8            4.95   6.05      0.000     100.00  100.00   100.00
2:C_1:H3'           2:T_2:H6             4.05   6.05      0.000     100.00  100.00   100.00
2:T_2:H3'           2:T_3:H6             4.95   6.05      0.000     100.00  100.00   100.00
2:T_3:H3'           2:A_4:H8             4.95   6.05      0.000     100.00  100.00   100.00
2:A_4:H3'           2:A_5:H8             4.95   6.05      0.000     100.00  100.00   100.00
2:A_5:H3'           2:T_6:H6             4.95   6.05      0.000     100.00  100.00   100.00
2:T_6:H3'           2:T_7:H6             4.95   6.05      0.000     100.00  100.00   100.00
2:T_7:H3'           2:C_8:H6             4.95   6.05      0.000     100.00  100.00   100.00
2:C_8:H3'           2:G_9:H8             4.95   6.05      0.000     100.00  100.00   100.00
2:G_9:H3'           2:T_10:H6            4.95   6.05      0.000     100.00  100.00   100.00
2:T_10:H3'          2:G_11:H8            4.95   6.05      0.000     100.00  100.00   100.00
2:G_11:H3'          2:C_12:H6            4.95   6.05      0.000     100.00  100.00   100.00
!      (n)H1' to (n)H3'
1:G_1:H1'           1:G_1:H3'            3.80   4.20      0.000     100.00  100.00   100.00
1:C_2:H1'           1:C_2:H3'            3.80   4.20      0.000     100.00  100.00   100.00
1:A_3:H1'           1:A_3:H3'            3.80   4.00      0.000     100.00  100.00   100.00
1:C_4:H1'           1:C_4:H3'            3.80   4.20      0.000     100.00  100.00   100.00
1:G_5:H1'           1:G_5:H3'            3.80   4.20      0.000     100.00  100.00   100.00
1:A_6:H1'           1:A_6:H3'            3.80   4.20      0.000     100.00  100.00   100.00
1:A_7:H1'           1:A_7:H3'            3.50   3.80      0.000     500.00  500.00   100.00
1:T_8:H1'           1:T_8:H3'            3.60   4.00      0.000     100.00  100.00   100.00
1:T_9:H1'           1:T_9:H3'            3.60   4.00      0.000     100.00  100.00   100.00
1:A_10:H1'          1:A_10:H3'           3.80   4.20      0.000     100.00  100.00   100.00
1:A_11:H1'          1:A_11:H3'           3.80   4.20      0.000     100.00  100.00   100.00
1:G_12:H1'          1:G_12:H3'           3.80   4.20      0.000     100.00  100.00   100.00
2:C_1:H1'           2:C_1:H3'            3.80   4.20      0.000     100.00  100.00   100.00
2:T_2:H1'           2:T_2:H3'            3.80   4.20      0.000     100.00  100.00   100.00
2:T_3:H1'           2:T_3:H3'            3.80   4.20      0.000     100.00  100.00   100.00
2:A_4:H1'           2:A_4:H3'            3.80   4.20      0.000     100.00  100.00   100.00
2:A_5:H1'           2:A_5:H3'            3.80   4.20      0.000     100.00  100.00   100.00
2:T_6:H1'           2:T_6:H3'            3.80   4.20      0.000     100.00  100.00   100.00
2:T_7:H1'           2:T_7:H3'            3.80   4.20      0.000     100.00  100.00   100.00
2:C_8:H1'           2:C_8:H3'            3.80   4.20      0.000     100.00  100.00   100.00
2:G_9:H1'           2:G_9:H3'            3.80   4.20      0.000     100.00  100.00   100.00
2:T_10:H1'          2:T_10:H3'           3.80   4.20      0.000     100.00  100.00   100.00
2:G_11:H1'          2:G_11:H3'           3.80   4.20      0.000     100.00  100.00   100.00
2:C_12:H1'          2:C_12:H3'           3.80   4.00      0.000     100.00  100.00   100.00
!      (n)H2'1 to (n)H3'
1:G_1:H2'1          1:G_1:H3'            2.50   3.00      0.000     100.00  100.00   100.00
1:C_2:H2'1          1:C_2:H3'            2.50   3.00      0.000     100.00  100.00   100.00
1:A_3:H2'1          1:A_3:H3'            2.50   3.00      0.000     100.00  100.00   100.00
1:C_4:H2'1          1:C_4:H3'            2.50   3.00      0.000     100.00  100.00   100.00
1:G_5:H2'1          1:G_5:H3'            2.50   3.00      0.000     100.00  100.00   100.00
1:A_6:H2'1          1:A_6:H3'            2.50   3.00      0.000     100.00  100.00   100.00
1:A_7:H2'1          1:A_7:H3'            2.50   3.00      0.000     100.00  100.00   100.00
1:T_8:H2'1          1:T_8:H3'            2.50   3.00      0.000     100.00  100.00   100.00
1:T_9:H2'1          1:T_9:H3'            2.50   3.00      0.000     100.00  100.00   100.00
1:A_10:H2'1         1:A_10:H3'           2.50   3.00      0.000     100.00  100.00   100.00
1:A_11:H2'1         1:A_11:H3'           2.50   3.00      0.000     100.00  100.00   100.00
1:G_12:H2'1         1:G_12:H3'           2.50   3.00      0.000     100.00  100.00   100.00
2:C_1:H2'1          2:C_1:H3'            2.50   3.00      0.000     100.00  100.00   100.00
2:T_2:H2'1          2:T_2:H3'            2.50   3.00      0.000     100.00  100.00   100.00
2:T_3:H2'1          2:T_3:H3'            2.50   3.00      0.000     100.00  100.00   100.00
2:A_4:H2'1          2:A_4:H3'            2.50   3.00      0.000     100.00  100.00   100.00
2:A_5:H2'1          2:A_5:H3'            2.50   3.00      0.000     100.00  100.00   100.00
2:T_6:H2'1          2:T_6:H3'            2.50   3.00      0.000     100.00  100.00   100.00
2:T_7:H2'1          2:T_7:H3'            2.50   3.00      0.000     100.00  100.00   100.00
2:C_8:H2'1          2:C_8:H3'            2.50   3.00      0.000     100.00  100.00   100.00
2:G_9:H2'1          2:G_9:H3'            2.50   3.00      0.000     100.00  100.00   100.00
2:T_10:H2'1         2:T_10:H3'           2.50   3.00      0.000     100.00  100.00   100.00
2:G_11:H2'1         2:G_11:H3'           2.50   3.00      0.000     100.00  100.00   100.00
2:C_12:H2'1         2:C_12:H3'           2.50   3.00      0.000     100.00  100.00   100.00
!      (n)H1' to (n)H4'
!      constraints may change
!      sensitive to sugar pucker
!      range 2.6 and 3.8 A 
1:G_1:H1'           1:G_1:H4'            3.20   3.60      0.000     500.00  500.00   100.00
1:C_2:H1'           1:C_2:H4'            2.60   2.80      0.000     500.00  500.00   100.00
1:A_3:H1'           1:A_3:H4'            3.20   3.50      0.000     500.00  500.00   100.00
1:C_4:H1'           1:C_4:H4'            2.60   2.80      0.000     500.00  500.00   100.00
1:G_5:H1'           1:G_5:H4'            3.50   3.80      0.000     500.00  500.00   100.00
1:A_6:H1'           1:A_6:H4'            2.40   2.60      0.000     500.00  500.00   100.00
1:A_7:H1'           1:A_7:H4'            3.30   3.50      0.000     500.00  500.00   100.00
1:T_8:H1'           1:T_8:H4'            2.90   3.20      0.000     500.00  500.00   100.00
1:T_9:H1'           1:T_9:H4'            2.70   3.00      0.000     500.00  500.00   100.00
1:A_10:H1'          1:A_10:H4'           3.40   3.80      0.000     500.00  500.00   100.00
1:A_11:H1'          1:A_11:H4'           3.20   3.50      0.000     500.00  500.00   100.00
1:G_12:H1'          1:G_12:H4'           2.40   2.60      0.000     500.00  500.00   100.00
2:C_1:H1'           2:C_1:H4'            2.50   2.70      0.000     500.00  500.00   100.00
2:T_2:H1'           2:T_2:H4'            2.80   3.00      0.000     500.00  500.00   100.00
2:T_3:H1'           2:T_3:H4'            3.20   3.50      0.000     500.00  500.00   100.00
2:A_4:H1'           2:A_4:H4'            3.40   3.70      0.000     500.00  500.00   100.00
2:A_5:H1'           2:A_5:H4'            3.40   3.70      0.000     500.00  500.00   100.00
2:T_6:H1'           2:T_6:H4'            2.50   2.80      0.000     500.00  500.00   100.00
2:T_7:H1'           2:T_7:H4'            2.80   3.00      0.000     500.00  500.00   100.00
2:C_8:H1'           2:C_8:H4'            2.80   3.00      0.000     500.00  500.00   100.00
2:G_9:H1'           2:G_9:H4'            3.20   3.60      0.000     500.00  500.00   100.00
2:T_10:H1'          2:T_10:H4'           2.80   3.00      0.000     500.00  500.00   100.00
2:G_11:H1'          2:G_11:H4'           3.20   3.50      0.000     500.00  500.00   100.00
2:C_12:H1'          2:C_12:H4'           2.60   2.80      0.000     500.00  500.00   100.00
1:T_8:H1'           1:T_9:H4'            3.00   3.40      0.000     500.00  500.00   100.00
1:C_4:H1'           1:G_5:H4'            5.00   6.00      0.000     500.00  500.00   100.00
!      (n)H1' to (n)H5'
!      will not normally change
1:G_1:H5'2          1:G_1:H1'            5.05   6.00      0.000     300.00  300.00   100.00
1:C_2:H5'2          1:C_2:H1'            5.05   6.00      0.000     300.00  300.00   100.00
1:A_3:H5'2          1:A_3:H1'            5.05   6.00      0.000     300.00  300.00   100.00
1:C_4:H5'2          1:C_4:H1'            5.05   6.00      0.000     300.00  300.00   100.00
1:G_5:H5'2          1:G_5:H1'            5.05   6.00      0.000     300.00  300.00   100.00
1:A_6:H5'2          1:A_6:H1'            5.05   6.00      0.000     300.00  300.00   100.00
1:A_7:H5'2          1:A_7:H1'            5.00   6.00      0.000     300.00  300.00   100.00
1:T_8:H5'2          1:T_8:H1'            4.25   4.45      0.000     300.00  300.00   100.00
1:T_9:H5'2          1:T_9:H1'            4.25   4.55      0.000     300.00  300.00   100.00
1:A_10:H5'2         1:A_10:H1'           5.05   6.00      0.000     300.00  300.00   100.00
1:A_11:H5'2         1:A_11:H1'           5.05   6.00      0.000     300.00  300.00   100.00
1:G_12:H5'2         1:G_12:H1'           5.05   6.00      0.000     300.00  300.00   100.00
2:C_1:H5'2          2:C_1:H1'            5.05   6.00      0.000     300.00  300.00   100.00
2:T_2:H5'2          2:T_2:H1'            5.05   6.00      0.000     300.00  300.00   100.00
2:T_3:H5'2          2:T_3:H1'            5.05   6.00      0.000     300.00  300.00   100.00
2:A_4:H5'2          2:A_4:H1'            5.05   6.00      0.000     300.00  300.00   100.00
2:A_5:H5'2          2:A_5:H1'            5.05   6.00      0.000     300.00  300.00   100.00
2:T_6:H5'2          2:T_6:H1'            5.05   6.00      0.000     300.00  300.00   100.00
2:T_7:H5'2          2:T_7:H1'            5.05   6.00      0.000     300.00  300.00   100.00
2:C_8:H5'2          2:C_8:H1'            5.05   6.00      0.000     300.00  300.00   100.00
2:G_9:H5'2          2:G_9:H1'            5.05   6.00      0.000     300.00  300.00   100.00
2:T_10:H5'2         2:T_10:H1'           5.05   6.00      0.000     300.00  300.00   100.00
2:G_11:H5'2         2:G_11:H1'           5.05   6.00      0.000     300.00  300.00   100.00
2:C_12:H5'2         2:C_12:H1'           5.05   6.00      0.000     300.00  300.00   100.00
!      (n)H1' to (n)H5''
!      will not normally change
1:G_1:H5'1          1:G_1:H1'            4.55   5.00      0.000     300.00  300.00   100.00
1:C_2:H5'1          1:C_2:H1'            4.55   5.00      0.000     300.00  300.00   100.00
1:A_3:H5'1          1:A_3:H1'            4.55   5.00      0.000     300.00  300.00   100.00
1:C_4:H5'1          1:C_4:H1'            4.55   5.00      0.000     300.00  300.00   100.00
1:G_5:H5'1          1:G_5:H1'            4.55   5.00      0.000     300.00  300.00   100.00
1:A_6:H5'1          1:A_6:H1'            4.55   5.00      0.000     300.00  300.00   100.00
1:A_7:H5'1          1:A_7:H1'            4.55   5.00      0.000     300.00  300.00   100.00
1:T_8:H5'1          1:T_8:H1'            4.55   5.00      0.000     300.00  300.00   100.00
1:T_9:H5'1          1:T_9:H1'            4.05   4.25      0.000     300.00  300.00   100.00
1:A_10:H5'1         1:A_10:H1'           4.55   5.00      0.000     300.00  300.00   100.00
1:A_11:H5'1         1:A_11:H1'           4.55   5.00      0.000     300.00  300.00   100.00
1:G_12:H5'1         1:G_12:H1'           4.55   5.00      0.000     300.00  300.00   100.00
2:C_1:H5'1          2:C_1:H1'            4.55   5.00      0.000     300.00  300.00   100.00
2:T_2:H5'1          2:T_2:H1'            4.55   5.00      0.000     300.00  300.00   100.00
2:T_3:H5'1          2:T_3:H1'            4.55   5.00      0.000     300.00  300.00   100.00
2:A_4:H5'1          2:A_4:H1'            4.55   5.00      0.000     300.00  300.00   100.00
2:A_5:H5'1          2:A_5:H1'            4.55   5.00      0.000     300.00  300.00   100.00
2:T_6:H5'1          2:T_6:H1'            4.55   5.00      0.000     300.00  300.00   100.00
2:T_7:H5'1          2:T_7:H1'            4.55   5.00      0.000     300.00  300.00   100.00
2:C_8:H5'1          2:C_8:H1'            4.55   5.00      0.000     300.00  300.00   100.00
2:G_9:H5'1          2:G_9:H1'            4.55   5.00      0.000     300.00  300.00   100.00
2:T_10:H5'1         2:T_10:H1'           4.55   5.00      0.000     300.00  300.00   100.00
2:G_11:H5'1         2:G_11:H1'           4.55   5.00      0.000     300.00  300.00   100.00
2:C_12:H5'1         2:C_12:H1'           4.55   5.00      0.000     300.00  300.00   100.00
!      (n-1)H1' to (n)H5'
1:G_1:H1'           1:C_2:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
1:C_2:H1'           1:A_3:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
1:A_3:H1'           1:C_4:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
1:C_4:H1'           1:G_5:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
1:G_5:H1'           1:A_6:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
1:A_6:H1'           1:A_7:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
1:A_7:H1'           1:T_8:H5'2           5.00   6.00      0.000     100.00  100.00   100.00
1:T_8:H1'           1:T_9:H5'2           4.05   4.55      0.000     100.00  100.00   100.00
1:T_9:H1'           1:A_10:H5'2          4.05   5.00      0.000     100.00  100.00   100.00
1:A_10:H1'          1:A_11:H5'2          4.05   5.00      0.000     100.00  100.00   100.00
1:A_11:H1'          1:G_12:H5'2          4.05   5.00      0.000     100.00  100.00   100.00
2:C_1:H1'           2:T_2:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
2:T_2:H1'           2:T_3:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
2:T_3:H1'           2:A_4:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
2:A_4:H1'           2:A_5:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
2:A_5:H1'           2:T_6:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
2:T_6:H1'           2:T_7:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
2:T_7:H1'           2:C_8:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
2:C_8:H1'           2:G_9:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
2:G_9:H1'           2:T_10:H5'2          4.05   5.00      0.000     100.00  100.00   100.00
2:T_10:H1'          2:G_11:H5'2          4.05   5.00      0.000     100.00  100.00   100.00
2:G_11:H1'          2:C_12:H5'2          4.05   5.00      0.000     100.00  100.00   100.00
!      (n-1)H1' to (n)H5''
1:G_1:H1'           1:C_2:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
1:C_2:H1'           1:A_3:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
1:A_3:H1'           1:C_4:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
1:C_4:H1'           1:G_5:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
1:G_5:H1'           1:A_6:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
1:A_6:H1'           1:A_7:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
1:A_7:H1'           1:T_8:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
1:T_8:H1'           1:T_9:H5'1           2.75   3.05      0.000     100.00  100.00   100.00
1:T_9:H1'           1:A_10:H5'1          2.50   3.00      0.000     100.00  100.00   100.00
1:A_10:H1'          1:A_11:H5'1          2.50   3.00      0.000     100.00  100.00   100.00
1:A_11:H1'          1:G_12:H5'1          2.50   3.00      0.000     100.00  100.00   100.00
2:C_1:H1'           2:T_2:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
2:T_2:H1'           2:T_3:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
2:T_3:H1'           2:A_4:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
2:A_4:H1'           2:A_5:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
2:A_5:H1'           2:T_6:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
2:T_6:H1'           2:T_7:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
2:T_7:H1'           2:C_8:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
2:C_8:H1'           2:G_9:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
2:G_9:H1'           2:T_10:H5'1          2.50   3.00      0.000     100.00  100.00   100.00
2:T_10:H1'          2:G_11:H5'1          2.50   3.00      0.000     100.00  100.00   100.00
2:G_11:H1'          2:C_12:H5'1          2.50   3.00      0.000     100.00  100.00   100.00
!      (n)H2 to (n-1)H2
1:A_6:H2            1:A_7:H2             3.20   3.50      0.000     800.00  800.00   100.00
1:A_10:H2           1:A_11:H2            3.20   3.40      0.000     800.00  800.00   100.00
2:A_4:H2            2:A_5:H2             3.50   4.50      0.000     800.00  800.00   100.00
2:A_4:H2            1:A_10:H2            3.50   4.00      0.000     800.00  800.00   100.00
!
#NMR_dihedral
!
1:G_1:C4'  1:G_1:C3'  1:G_1:O3'  1:C_2:P  -179.00 -150.00 90.000 90.000 500.00
1:C_2:C4'  1:C_2:C3'  1:C_2:O3'  1:A_3:P  -179.00 -150.00 90.000 90.000 500.00
1:A_3:C4'  1:A_3:C3'  1:A_3:O3'  1:C_4:P  -179.00 -150.00 90.000 90.000 500.00
1:C_4:C4'  1:C_4:C3'  1:C_4:O3'  1:G_5:P  -179.00 -150.00 90.000 90.000 500.00
1:G_5:C4'  1:G_5:C3'  1:G_5:O3'  1:A_6:P  -179.00 -150.00 90.000 90.000 500.00
1:A_6:C4'  1:A_6:C3'  1:A_6:O3'  1:A_7:P  -179.00 -150.00 90.000 90.000 500.00
1:A_7:C4'  1:A_7:C3'  1:A_7:O3'  1:T_8:P  -179.00 -150.00 90.000 90.000 500.00
1:T_8:C4'  1:T_8:C3'  1:T_8:O3'  1:T_9:P  -179.00 -150.00 90.000 90.000 500.00
1:T_9:C4'  1:T_9:C3'  1:T_9:O3'  1:A_10:P -100.00  -70.00 90.000 90.000 500.00
1:A_10:C4' 1:A_10:C3' 1:A_10:O3' 1:A_11:P -179.00 -150.00 90.000 90.000 500.00
1:A_11:C4' 1:A_11:C3' 1:A_11:O3' 1:G_12:P -179.00 -150.00 90.000 90.000 500.00
2:C_1:C4'  2:C_1:C3'  2:C_1:O3'  2:T_2:P  -179.00 -150.00 90.000 90.000 500.00
2:T_2:C4'  2:T_2:C3'  2:T_2:O3'  2:T_3:P  -179.00 -150.00 90.000 90.000 500.00
2:T_3:C4'  2:T_3:C3'  2:T_3:O3'  2:A_4:P  -179.00 -150.00 90.000 90.000 500.00
2:A_4:C4'  2:A_4:C3'  2:A_4:O3'  2:A_5:P  -179.00 -150.00 90.000 90.000 500.00
2:A_5:C4'  2:A_5:C3'  2:A_5:O3'  2:T_6:P  -179.00 -150.00 90.000 90.000 500.00
2:T_6:C4'  2:T_6:C3'  2:T_6:O3'  2:T_7:P  -179.00 -150.00 90.000 90.000 500.00
2:T_7:C4'  2:T_7:C3'  2:T_7:O3'  2:C_8:P  -179.00 -150.00 90.000 90.000 500.00
2:C_8:C4'  2:C_8:C3'  2:C_8:O3'  2:G_9:P  -179.00 -150.00 90.000 90.000 500.00
2:G_9:C4'  2:G_9:C3'  2:G_9:O3'  2:T_10:P -179.00 -150.00 90.000 90.000 500.00
2:T_10:C4' 2:T_10:C3' 2:T_10:O3' 2:G_11:P -179.00 -150.00 90.000 90.000 500.00
2:G_11:C4' 2:G_11:C3' 2:G_11:O3' 2:C_12:P -179.00 -150.00 90.000 90.000 500.00



  Entry H atom name         Submitted Coord H atom name
    1   1H5*    G   1          1H5*        G   1   6.504  -9.800  -3.556
    2   2H5*    G   1          2H5*        G   1   6.922 -11.416  -2.971
    3    H4*    G   1           H4*        G   1   8.575  -9.654  -2.317
    4    H3*    G   1           H3*        G   1   7.877 -11.583  -0.530
    5    H1*    G   1           H1*        G   1   7.993  -7.931   0.507
    6    H8     G   1           H8         G   1   4.338  -8.233  -0.137
    7    H1     G   1           H1         G   1   6.409  -2.369   1.331
    8   1H2     G   1          1H2         G   1   9.469  -3.955   1.930
    9   2H2     G   1          2H2         G   1   8.572  -2.452   1.917
   10   2H2*    G   1          1H2*        G   1   7.294  -9.890   1.581
   11   1H2*    G   1          2H2*        G   1   5.968 -10.147   0.409
   12    H5*    G   1           H5*        G   1   5.073  -9.604  -1.805
   13   1H5*    C   2          1H5*        C   2  10.985  -8.266   0.636
   14   2H5*    C   2          2H5*        C   2  12.427  -9.208   1.088
   15    H4*    C   2           H4*        C   2  12.292  -6.855   2.352
   16    H3*    C   2           H3*        C   2  12.450  -9.285   3.891
   17    H1*    C   2           H1*        C   2  10.803  -5.975   4.574
   18   1H4     C   2          1H4         C   2   4.169  -6.614   5.015
   19   2H4     C   2          2H4         C   2   4.537  -4.920   5.261
   20    H5     C   2           H5         C   2   5.825  -8.131   4.110
   21    H6     C   2           H6         C   2   8.232  -8.535   3.831
   22   2H2*    C   2          1H2*        C   2  11.073  -8.128   5.817
   23   1H2*    C   2          2H2*        C   2  10.287  -9.049   4.563
   24   1H5*    A   3          1H5*        A   3  13.535  -4.902   5.213
   25   2H5*    A   3          2H5*        A   3  14.482  -4.618   6.666
   26    H4*    A   3           H4*        A   3  12.502  -3.134   5.829
   27    H3*    A   3           H3*        A   3  13.473  -3.131   8.424
   28    H1*    A   3           H1*        A   3   9.723  -3.137   7.397
   29    H8     A   3           H8         A   3  10.021  -6.576   8.149
   30   1H6     A   3          1H6         A   3   3.843  -6.453   8.664
   31   2H6     A   3          2H6         A   3   5.256  -7.473   8.873
   32    H2     A   3           H2         A   3   5.315  -2.489   7.333
   33   2H2*    A   3          1H2*        A   3  10.944  -3.064   9.559
   34   1H2*    A   3          2H2*        A   3  11.652  -4.674   9.194
   35   1H5*    C   4          1H5*        C   4   9.805  -0.134   7.511
   36   2H5*    C   4          2H5*        C   4  10.483   1.415   8.054
   37    H4*    C   4           H4*        C   4   7.862   1.212   8.388
   38    H3*    C   4           H3*        C   4   9.539   1.861  10.643
   39    H1*    C   4           H1*        C   4   6.244  -0.001  10.338
   40   1H4     C   4          1H4         C   4   6.634  -6.417  11.637
   41   2H4     C   4          2H4         C   4   4.970  -5.936  11.919
   42    H5     C   4           H5         C   4   8.424  -4.736  11.064
   43    H6     C   4           H6         C   4   8.753  -2.300  10.728
   44   2H2*    C   4          1H2*        C   4   7.568   0.850  12.237
   45   1H2*    C   4          2H2*        C   4   8.971  -0.100  11.770
   46   1H5*    G   5          1H5*        G   5   4.779   2.191  10.759
   47   2H5*    G   5          2H5*        G   5   4.671   3.943  10.985
   48    H4*    G   5           H4*        G   5   2.697   3.285  11.651
   49    H3*    G   5           H3*        G   5   4.110   4.518  13.615
   50    H1*    G   5           H1*        G   5   2.129   1.381  14.516
   51    H8     G   5           H8         G   5   5.503  -0.126  14.170
   52    H1     G   5           H1         G   5   0.922  -4.141  16.057
   53   1H2     G   5          1H2         G   5  -1.181  -1.353  15.773
   54   2H2     G   5          2H2         G   5  -1.042  -3.063  16.132
   55   2H2*    G   5          1H2*        G   5   3.748   2.643  15.669
   56   1H2*    G   5          2H2*        G   5   5.005   2.259  14.490
   57   1H5*    A   6          1H5*        A   6  -0.235   3.123  15.132
   58   2H5*    A   6          2H5*        A   6  -0.833   4.573  15.958
   59    H4*    A   6           H4*        A   6  -1.547   2.169  17.061
   60    H3*    A   6           H3*        A   6  -0.366   4.266  18.724
   61    H1*    A   6           H1*        A   6  -0.610   0.440  18.784
   62    H8     A   6           H8         A   6   3.004   0.806  17.949
   63   1H6     A   6          1H6         A   6   3.395  -5.245  18.875
   64   2H6     A   6          2H6         A   6   4.265  -3.762  18.563
   65    H2     A   6           H2         A   6  -0.901  -4.010  19.436
   66   2H2*    A   6          1H2*        A   6   0.262   2.149  20.368
   67   1H2*    A   6          2H2*        A   6   1.470   2.622  19.197
   68   1H5*    A   7          1H5*        A   7  -3.458   1.124  19.517
   69   2H5*    A   7          2H5*        A   7  -4.764   1.801  20.519
   70    H4*    A   7           H4*        A   7  -4.663  -0.647  20.320
   71    H3*    A   7           H3*        A   7  -5.278   0.476  22.746
   72    H1*    A   7           H1*        A   7  -2.787  -2.377  22.405
   73    H8     A   7           H8         A   7  -0.390   0.466  22.493
   74   1H6     A   7          1H6         A   7   3.825  -3.983  21.947
   75   2H6     A   7          2H6         A   7   3.567  -2.258  22.098
   76    H2     A   7           H2         A   7  -0.249  -5.865  22.334
   77   2H2*    A   7          1H2*        A   7  -3.591  -1.234  24.270
   78   1H2*    A   7          2H2*        A   7  -2.939   0.329  23.637
   79   1H5*    T   8          1H5*        T   8  -5.364  -4.091  22.248
   80   2H5*    T   8          2H5*        T   8  -6.807  -5.025  23.097
   81    H4*    T   8           H4*        T   8  -4.984  -6.334  23.339
   82    H3*    T   8           H3*        T   8  -6.806  -5.288  25.272
   83   1H2*    T   8          2H2*        T   8  -5.385  -3.952  26.128
   84   2H2*    T   8          1H2*        T   8  -4.968  -5.288  27.329
   85    H1*    T   8           H1*        T   8  -3.353  -6.187  25.730
   86    H3     T   8           H3         T   8   0.843  -4.188  25.334
   87   1H5M    T   8          1H5M        T   8  -2.345  -0.180  26.512
   88   2H5M    T   8          2H5M        T   8  -0.641  -0.034  27.022
   89   3H5M    T   8          3H5M        T   8  -1.062  -0.513  25.377
   90    H6     T   8           H6         T   8  -3.415  -2.696  26.369
   91   1H5*    T   9          1H5*        T   9  -4.214  -8.498  26.859
   92   2H5*    T   9          2H5*        T   9  -4.857  -9.277  28.305
   93    H4*    T   9           H4*        T   9  -2.779  -8.404  28.287
   94    H3*    T   9           H3*        T   9  -4.951  -7.331  30.181
   95   1H2*    T   9          2H2*        T   9  -4.361  -5.112  29.434
   96   2H2*    T   9          1H2*        T   9  -3.242  -5.238  30.826
   97    H1*    T   9           H1*        T   9  -1.622  -6.285  29.452
   98    H3     T   9           H3         T   9   1.417  -3.446  29.236
   99   1H5M    T   9          1H5M        T   9  -1.893  -0.159  28.902
  100   2H5M    T   9          2H5M        T   9  -3.344  -1.036  28.383
  101   3H5M    T   9          3H5M        T   9  -2.572  -1.426  29.916
  102    H6     T   9           H6         T   9  -3.144  -3.594  28.560
  103   1H5*    A  10          1H5*        A  10  -0.675  -9.057  30.156
  104   2H5*    A  10          2H5*        A  10  -0.634 -10.745  30.703
  105    H4*    A  10           H4*        A  10   1.522 -10.007  30.961
  106    H3*    A  10           H3*        A  10   0.420 -10.801  33.346
  107    H1*    A  10           H1*        A  10   2.438  -7.543  33.107
  108    H8     A  10           H8         A  10  -1.010  -6.155  32.900
  109   1H6     A  10          1H6         A  10   1.668  -0.704  33.864
  110   2H6     A  10          2H6         A  10   0.146  -1.552  33.661
  111    H2     A  10           H2         A  10   4.864  -3.815  33.580
  112   2H2*    A  10          1H2*        A  10   1.207  -8.566  34.828
  113   1H2*    A  10          2H2*        A  10  -0.315  -8.419  33.925
  114   1H5*    A  11          1H5*        A  11   4.788  -9.333  33.135
  115   2H5*    A  11          2H5*        A  11   5.715 -10.653  33.868
  116    H4*    A  11           H4*        A  11   6.901  -8.455  33.935
  117    H3*    A  11           H3*        A  11   6.730 -10.024  36.221
  118    H1*    A  11           H1*        A  11   6.345  -6.224  36.174
  119    H8     A  11           H8         A  11   2.708  -7.270  36.685
  120   1H6     A  11          1H6         A  11   1.653  -1.215  36.880
  121   2H6     A  11          2H6         A  11   0.948  -2.804  37.116
  122    H2     A  11           H2         A  11   5.997  -1.842  36.109
  123   2H2*    A  11          1H2*        A  11   6.277  -7.820  37.913
  124   1H2*    A  11          2H2*        A  11   4.892  -8.679  37.187
  125   1H5*    G  12          1H5*        G  12   9.350  -6.153  36.265
  126   2H5*    G  12          2H5*        G  12  10.854  -6.550  37.120
  127    H4*    G  12           H4*        G  12   9.931  -4.035  37.560
  128    H3*    G  12           H3*        G  12  10.299  -5.899  39.847
  129    H1*    G  12           H1*        G  12   8.217  -2.746  39.051
  130    H8     G  12           H8         G  12   6.084  -5.736  39.623
  131    H1     G  12           H1         G  12   3.044  -0.076  39.841
  132   1H2     G  12          1H2         G  12   6.210   1.217  39.149
  133   2H2     G  12          2H2         G  12   4.517   1.545  39.437
  134   2H2*    G  12          1H2*        G  12   8.983  -3.776  41.106
  135   1H2*    G  12          2H2*        G  12   8.228  -5.329  40.663
  136    HO3    G  12           HO3        G  12  10.746  -3.125  39.363
  137   1H5*    C   1          1H5*        C   1  -1.165   7.311  41.645
  138   2H5*    C   1          2H5*        C   1  -0.934   8.832  40.768
  139    H4*    C   1           H4*        C   1   1.305   7.346  41.204
  140    H3*    C   1           H3*        C   1   0.552   8.245  38.541
  141    H1*    C   1           H1*        C   1   2.531   5.310  39.902
  142   1H4     C   1          1H4         C   1  -0.372  -0.491  38.751
  143   2H4     C   1          2H4         C   1   1.311  -0.831  39.073
  144    H5     C   1           H5         C   1  -1.272   1.775  38.542
  145    H6     C   1           H6         C   1  -0.687   4.153  38.744
  146   2H2*    C   1          1H2*        C   1   2.284   6.262  37.653
  147   1H2*    C   1          2H2*        C   1   0.513   6.259  37.708
  148    H5*    C   1           H5*        C   1  -1.677   6.330  39.659
  149   1H5*    T   2          1H5*        T   2   5.046   6.900  39.513
  150   2H5*    T   2          2H5*        T   2   6.077   8.198  38.899
  151    H4*    T   2           H4*        T   2   7.150   5.961  38.573
  152    H3*    T   2           H3*        T   2   6.695   7.575  36.260
  153   1H2*    T   2          2H2*        T   2   5.275   6.211  35.266
  154   2H2*    T   2          1H2*        T   2   6.656   5.249  34.717
  155    H1*    T   2           H1*        T   2   6.711   3.808  36.528
  156    H3     T   2           H3         T   2   4.397   0.010  36.342
  157   1H5M    T   2          1H5M        T   2   0.462   2.564  36.001
  158   2H5M    T   2          2H5M        T   2   1.065   4.225  36.167
  159   3H5M    T   2          3H5M        T   2   1.069   3.430  34.582
  160    H6     T   2           H6         T   2   3.611   4.648  36.105
  161   1H5*    T   3          1H5*        T   3   9.702   3.911  36.380
  162   2H5*    T   3          2H5*        T   3  11.153   4.403  35.496
  163    H4*    T   3           H4*        T   3  10.887   2.065  35.260
  164    H3*    T   3           H3*        T   3  10.760   3.640  32.907
  165   1H2*    T   3          2H2*        T   3   8.837   3.447  32.516
  166   2H2*    T   3          1H2*        T   3   8.933   2.018  31.579
  167    H1*    T   3           H1*        T   3   8.846   0.432  33.430
  168    H3     T   3           H3         T   3   4.688  -1.218  33.616
  169   1H5M    T   3          1H5M        T   3   3.823   3.442  31.643
  170   2H5M    T   3          2H5M        T   3   2.791   2.956  32.998
  171   3H5M    T   3          3H5M        T   3   4.154   4.058  33.274
  172    H6     T   3           H6         T   3   6.466   3.166  32.883
  173   1H5*    A   4          1H5*        A   4  11.336  -0.935  32.806
  174   2H5*    A   4          2H5*        A   4  12.640  -1.354  31.689
  175    H4*    A   4           H4*        A   4  11.116  -3.095  32.130
  176    H3*    A   4           H3*        A   4  12.038  -2.585  29.554
  177    H1*    A   4           H1*        A   4   8.322  -3.546  30.273
  178    H8     A   4           H8         A   4   7.997   0.150  29.962
  179   1H6     A   4          1H6         A   4   2.073  -1.085  28.768
  180   2H6     A   4          2H6         A   4   3.312   0.150  28.825
  181    H2     A   4           H2         A   4   4.150  -4.937  29.807
  182   2H2*    A   4          1H2*        A   4   9.646  -3.245  28.382
  183   1H2*    A   4          2H2*        A   4   9.871  -1.563  28.665
  184   1H5*    A   5          1H5*        A   5   9.526  -6.294  30.505
  185   2H5*    A   5          2H5*        A   5  10.525  -7.671  30.011
  186    H4*    A   5           H4*        A   5   8.222  -8.238  30.284
  187    H3*    A   5           H3*        A   5   9.521  -9.140  28.056
  188    H1*    A   5           H1*        A   5   5.998  -7.648  27.794
  189    H8     A   5           H8         A   5   7.983  -4.698  26.682
  190   1H6     A   5          1H6         A   5   2.523  -2.442  24.968
  191   2H6     A   5          2H6         A   5   4.251  -2.149  25.007
  192    H2     A   5           H2         A   5   1.899  -6.575  26.548
  193   2H2*    A   5          1H2*        A   5   7.584  -8.445  26.193
  194   1H2*    A   5          2H2*        A   5   8.767  -7.183  26.652
  195   1H5*    T   6          1H5*        T   6   4.997 -10.432  28.373
  196   2H5*    T   6          2H5*        T   6   4.975 -12.203  28.225
  197    H4*    T   6           H4*        T   6   2.810 -10.857  27.330
  198    H3*    T   6           H3*        T   6   4.023 -12.925  25.732
  199   1H2*    T   6          2H2*        T   6   4.553 -11.627  23.967
  200   2H2*    T   6          1H2*        T   6   2.902 -11.497  23.542
  201    H1*    T   6           H1*        T   6   2.244  -9.711  24.828
  202    H3     T   6           H3         T   6   2.802  -5.900  22.561
  203   1H5M    T   6          1H5M        T   6   7.391  -6.246  23.848
  204   2H5M    T   6          2H5M        T   6   7.650  -8.004  23.832
  205   3H5M    T   6          3H5M        T   6   7.485  -7.120  22.299
  206    H6     T   6           H6         T   6   5.610  -9.256  24.379
  207   1H5*    T   7          1H5*        T   7  -0.365 -11.214  24.812
  208   2H5*    T   7          2H5*        T   7  -1.382 -12.617  24.418
  209    H4*    T   7           H4*        T   7  -2.064 -10.557  23.189
  210    H3*    T   7           H3*        T   7  -1.282 -12.841  21.574
  211   1H2*    T   7          2H2*        T   7   0.051 -11.811  19.979
  212   2H2*    T   7          1H2*        T   7  -1.169 -10.805  19.636
  213    H1*    T   7           H1*        T   7  -1.100  -9.122  20.813
  214    H3     T   7           H3         T   7   1.862  -6.003  19.678
  215   1H5M    T   7          1H5M        T   7   5.344  -8.980  20.819
  216   2H5M    T   7          2H5M        T   7   4.463 -10.402  21.408
  217   3H5M    T   7          3H5M        T   7   4.761 -10.199  19.668
  218    H6     T   7           H6         T   7   1.891 -10.516  21.124
  219   1H5*    C   8          1H5*        C   8  -4.058  -9.349  20.319
  220   2H5*    C   8          2H5*        C   8  -5.489  -9.976  19.485
  221    H4*    C   8           H4*        C   8  -4.861  -7.610  18.859
  222    H3*    C   8           H3*        C   8  -5.126  -9.562  16.777
  223    H1*    C   8           H1*        C   8  -2.985  -6.412  16.974
  224   1H4     C   8          1H4         C   8   3.507  -7.895  17.059
  225   2H4     C   8          2H4         C   8   3.348  -6.212  16.602
  226    H5     C   8           H5         C   8   1.536  -9.318  17.533
  227    H6     C   8           H6         C   8  -0.892  -9.423  17.235
  228   2H2*    C   8          1H2*        C   8  -3.490  -7.945  15.203
  229   1H2*    C   8          2H2*        C   8  -3.094  -9.401  15.991
  230   1H5*    G   9          1H5*        G   9  -5.299  -4.949  16.023
  231   2H5*    G   9          2H5*        G   9  -6.675  -4.646  14.962
  232    H4*    G   9           H4*        G   9  -5.027  -2.930  14.790
  233    H3*    G   9           H3*        G   9  -5.952  -4.083  12.429
  234    H1*    G   9           H1*        G   9  -2.383  -2.887  12.999
  235    H8     G   9           H8         G   9  -1.830  -6.538  13.450
  236    H1     G   9           H1         G   9   3.345  -3.096  12.006
  237   1H2     G   9          1H2         G   9   1.114  -0.389  12.067
  238   2H2     G   9          2H2         G   9   2.756  -0.927  11.793
  239   2H2*    G   9          1H2*        G   9  -3.493  -3.997  11.165
  240   1H2*    G   9          2H2*        G   9  -3.867  -5.416  12.182
  241   1H5*    T  10          1H5*        T  10  -3.072  -0.365  12.378
  242   2H5*    T  10          2H5*        T  10  -3.989   0.810  11.423
  243    H4*    T  10           H4*        T  10  -1.488   1.212  11.448
  244    H3*    T  10           H3*        T  10  -2.938   1.098   8.977
  245   1H2*    T  10          2H2*        T  10  -1.727  -0.830   8.143
  246   2H2*    T  10          1H2*        T  10  -0.642   0.460   7.740
  247    H1*    T  10           H1*        T  10   0.690   0.063   9.732
  248    H3     T  10           H3         T  10   3.237  -3.492   8.576
  249   1H5M    T  10          1H5M        T  10  -1.637  -5.112  10.319
  250   2H5M    T  10          2H5M        T  10  -1.144  -5.869   8.794
  251   3H5M    T  10          3H5M        T  10  -0.236  -6.201  10.281
  252    H6     T  10           H6         T  10  -1.326  -2.694   9.751
  253   1H5*    G  11          1H5*        G  11   1.377   2.473   9.544
  254   2H5*    G  11          2H5*        G  11   1.371   4.189   9.124
  255    H4*    G  11           H4*        G  11   3.578   3.289   9.040
  256    H3*    G  11           H3*        G  11   2.625   4.728   6.837
  257    H1*    G  11           H1*        G  11   4.967   1.646   6.678
  258    H8     G  11           H8         G  11   1.717  -0.010   5.962
  259    H1     G  11           H1         G  11   6.867  -3.204   4.060
  260   1H2     G  11          1H2         G  11   8.642  -0.674   5.677
  261   2H2     G  11          2H2         G  11   8.692  -2.236   4.878
  262   2H2*    G  11          1H2*        G  11   3.268   3.077   4.877
  263   1H2*    G  11          2H2*        G  11   2.356   2.529   5.631
  264   1H5*    C  12          1H5*        C  12   7.252   3.493   7.310
  265   2H5*    C  12          2H5*        C  12   8.120   5.019   7.022
  266    H4*    C  12           H4*        C  12   9.439   2.814   6.230
  267    H3*    C  12           H3*        C  12   8.920   5.105   4.458
  268    H1*    C  12           H1*        C  12   9.264   1.243   3.907
  269   1H4     C  12          1H4         C  12   3.237   0.031   1.142
  270   2H4     C  12          2H4         C  12   4.289  -1.240   0.563
  271    H5     C  12           H5         C  12   4.004   1.847   2.578
  272    H6     C  12           H6         C  12   5.966   2.779   3.701
  273   2H2*    C  12          1H2*        C  12   9.585   3.107   2.540
  274   1H2*    C  12          2H2*        C  12   8.059   3.857   2.753
  275    HO3    C  12           HO3        C  12  11.024   4.539   3.826