*HEADER    DNA/RNA                                 22-MAR-11   2LB4              
*TITLE     DNA / RNA HYBRID CONTAINING A CENTRAL STEREO SPECIFIC SP BORANO       
*TITLE    2 PHOSPHATE LINKAGE                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA_(5'-D(*AP*TP*GP*GP*TP*BGR*CP*TP*C)-3')_;               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: RNA_(5'-R(*GP*AP*GP*CP*AP*CP*CP*AP*U)-3')_;                
*COMPND   7 CHAIN: B;                                                            
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 MOL_ID: 2;                                                           
*SOURCE   4 SYNTHETIC: YES                                                       
*KEYWDS    NUCLEIC ACID HETERODUPLEX, RNASE H1 ACTIVITY, DNA-RNA COMPLEX         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    1                                                                     
*AUTHOR    C.N.JOHNSON, A.M.SPRING, B.R.SHAW, M.W.GERMANN                        
*REVDAT   1   29-JUN-11 2LB4    0                                                


# distance constraint number   1
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 0.780, r2 = 2.780, r3 = 3.070, r4 = 5.070,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number   2
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.900, r2 = 3.900, r3 = 4.920, r4 = 6.920,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number   3
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.550, r2 = 3.550, r3 = 3.940, r4 = 5.940,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number   4
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.870, r2 = 2.870, r3 = 3.810, r4 = 5.810,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number   5
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.840, r2 = 2.840, r3 = 2.960, r4 = 4.960,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number   6
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.330, r2 = 2.330, r3 = 3.130, r4 = 5.130,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number   7
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.330, r2 = 2.330, r3 = 2.570, r4 = 4.570,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number   8
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 2.520, r2 = 4.520, r3 = 6.160, r4 = 8.160,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number   9
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 0.740, r2 = 2.740, r3 = 3.760, r4 = 5.760,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  10
 &rst  iat =  2,  1, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.830, r2 = 3.830, r3 = 5.110, r4 = 7.110,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  11
 &rst  iat =  2,  1, iresid = 1, atnam(1)='H6',atnam(2)='H8',
       r1 = 2.490, r2 = 4.490, r3 = 5.710, r4 = 7.710,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  12
 &rst  iat =  2,  1, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
       r1 = 1.510, r2 = 3.510, r3 = 3.920, r4 = 5.920,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  13
 &rst  iat =  2,  1, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
       r1 = 0.740, r2 = 2.740, r3 = 2.920, r4 = 4.920,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  14
 &rst  iat =  2,  1, iresid = 1, atnam(1)='H6',atnam(2)='H2''2',
       r1 = 0.820, r2 = 2.820, r3 = 3.120, r4 = 5.120,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  15
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.230, r2 = 3.230, r3 = 4.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  16
 &rst  iat = -1 ,  10,ir6=1,
       igr1 =  48,  49,  50,
       r1 = 2.820, r2 = 4.820, r3 = 6.540, r4 = 8.540,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  17
 &rst  iat = -1 ,  13,
       igr1 =  48,  49,  50,
       r1 = 2.210, r2 = 4.210, r3 = 4.380, r4 = 6.380,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  18
 &rst  iat = -1 ,  26,
       igr1 =  48,  49,  50,
       r1 = 1.690, r2 = 3.690, r3 = 4.190, r4 = 6.190,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  19
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.690, r2 = 3.690, r3 = 4.920, r4 = 6.920,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  20
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.340, r2 = 3.340, r3 = 4.100, r4 = 6.100,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  21
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 1.140, r2 = 3.140, r3 = 3.890, r4 = 5.890,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  22
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 0.080, r2 = 2.080, r3 = 2.190, r4 = 4.190,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  23
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.310, r2 = 2.310, r3 = 2.650, r4 = 4.650,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  24
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
       r1 = 1.360, r2 = 3.360, r3 = 4.650, r4 = 6.650,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  25
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 0.700, r2 = 2.700, r3 = 3.360, r4 = 5.360,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  26
 &rst  iat =  3,  2, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.290, r2 = 3.290, r3 = 3.570, r4 = 5.570,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  27
 &rst  iat =  3,  2, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 1.820, r2 = 3.820, r3 = 5.200, r4 = 7.200,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  28
 &rst  iat =  3,  2, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 1.680, r2 = 3.680, r3 = 4.430, r4 = 6.430,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  29
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.460, r2 = 3.460, r3 = 3.740, r4 = 5.740,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  30
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.370, r2 = 3.370, r3 = 4.280, r4 = 6.280,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  31
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.340, r2 = 3.340, r3 = 3.850, r4 = 5.850,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  32
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 1.260, r2 = 3.260, r3 = 4.540, r4 = 6.540,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  33
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.370, r2 = 2.370, r3 = 2.660, r4 = 4.660,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  34
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.550, r2 = 2.550, r3 = 2.900, r4 = 4.900,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  35
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 1.390, r2 = 3.390, r3 = 4.280, r4 = 6.280,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  36
 &rst  iat =  4,  3, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.570, r2 = 3.570, r3 = 4.800, r4 = 6.800,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  37
 &rst  iat =  4,  3, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 1.330, r2 = 3.330, r3 = 4.290, r4 = 6.290,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  38
 &rst  iat =  4,  3, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 1.020, r2 = 3.020, r3 = 3.410, r4 = 5.410,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  39
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 0.890, r2 = 2.890, r3 = 3.050, r4 = 5.050,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  40
 &rst  iat =  5,  4, iresid = 1, atnam(1)='H6',atnam(2)='H8',
       r1 = 1.740, r2 = 3.740, r3 = 5.570, r4 = 7.570,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  41
 &rst  iat =  5,  4, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
       r1 = 0.950, r2 = 2.950, r3 = 3.360, r4 = 5.360,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  42
 &rst  iat = -1 , 110,
       igr1 = 146, 147, 148,
       r1 = 1.650, r2 = 3.650, r3 = 3.800, r4 = 5.800,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  43
 &rst  iat = -1 , 124,
       igr1 = 146, 147, 148,
       r1 = 1.320, r2 = 3.320, r3 = 3.570, r4 = 5.570,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  44
 &rst  iat = -1 , 143,
       igr1 = 146, 147, 148,
       r1 = 0.810, r2 = 2.810, r3 = 2.910, r4 = 4.910,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  45
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 0.380, r2 = 2.380, r3 = 2.890, r4 = 4.890,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  46
 &rst  iat =  6,  5, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 2.010, r2 = 4.010, r3 = 4.850, r4 = 6.850,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  47
 &rst  iat = 175, -1 ,
       igr2 = 146, 147, 148,
       r1 = 3.310, r2 = 5.310, r3 = 6.640, r4 = 8.640,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  48
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.430, r2 = 3.430, r3 = 3.690, r4 = 5.690,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  49
 &rst  iat =  7,  6, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.800, r2 = 3.800, r3 = 4.790, r4 = 6.790,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  50
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.100, r2 = 3.100, r3 = 3.660, r4 = 5.660,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  51
 &rst  iat =  7,  6, iresid = 1, atnam(1)='H5',atnam(2)='H8',
       r1 = 1.580, r2 = 3.580, r3 = 4.080, r4 = 6.080,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  52
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.600, r2 = 2.600, r3 = 3.600, r4 = 5.600,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  53
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 0.370, r2 = 2.370, r3 = 2.620, r4 = 4.620,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  54
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.000, r2 = 1.940, r3 = 2.360, r4 = 4.360,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  55
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
       r1 = 0.380, r2 = 2.380, r3 = 3.900, r4 = 5.900,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  56
 &rst  iat =  8,  7, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.970, r2 = 3.970, r3 = 5.220, r4 = 7.220,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  57
 &rst  iat = -1 , 208,
       igr1 = 244, 245, 246,
       r1 = 2.830, r2 = 4.830, r3 = 7.420, r4 = 9.420,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  58
 &rst  iat = -1 , 211,
       igr1 = 244, 245, 246,
       r1 = 1.740, r2 = 3.740, r3 = 4.200, r4 = 6.200,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  59
 &rst  iat = -1 , 213,
       igr1 = 244, 245, 246,
       r1 = 1.770, r2 = 3.770, r3 = 3.970, r4 = 5.970,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  60
 &rst  iat = -1 , 238,
       igr1 = 244, 245, 246,
       r1 = 3.710, r2 = 5.710, r3 = 7.340, r4 = 9.340,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  61
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.870, r2 = 2.870, r3 = 3.640, r4 = 5.640,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  62
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.100, r2 = 3.100, r3 = 3.560, r4 = 5.560,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  63
 &rst  iat = 275, -1 ,
       igr2 = 244, 245, 246,
       r1 = 2.160, r2 = 4.160, r3 = 4.640, r4 = 6.640,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  64
 &rst  iat =  9,  8, iresid = 1, atnam(1)='H5',atnam(2)='H2''1',
       r1 = 0.960, r2 = 2.960, r3 = 3.860, r4 = 5.860,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  65
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.690, r2 = 2.690, r3 = 4.060, r4 = 6.060,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  66
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 0.180, r2 = 2.180, r3 = 2.370, r4 = 4.370,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  67
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.110, r2 = 2.110, r3 = 2.380, r4 = 4.380,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  68
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
       r1 = 1.120, r2 = 3.120, r3 = 4.280, r4 = 6.280,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  69
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.350, r2 = 3.350, r3 = 3.460, r4 = 5.460,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  70
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.560, r2 = 3.560, r3 = 4.250, r4 = 6.250,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  71
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 0.860, r2 = 2.860, r3 = 3.060, r4 = 5.060,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  72
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.830, r2 = 2.830, r3 = 3.100, r4 = 5.100,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  73
 &rst  iat = 11, 10, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.340, r2 = 3.340, r3 = 3.980, r4 = 5.980,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  74
 &rst  iat = 11, 10, iresid = 1, atnam(1)='H8',atnam(2)='H8',
       r1 = 1.820, r2 = 3.820, r3 = 4.980, r4 = 6.980,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  75
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.290, r2 = 3.290, r3 = 3.410, r4 = 5.410,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  76
 &rst  iat = 11,  9, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 1.650, r2 = 3.650, r3 = 4.050, r4 = 6.050,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  77
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.180, r2 = 4.180, r3 = 4.930, r4 = 6.930,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  78
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.760, r2 = 3.760, r3 = 4.870, r4 = 6.870,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  79
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 0.580, r2 = 2.580, r3 = 3.080, r4 = 5.080,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  80
 &rst  iat = 12, 11, iresid = 1, atnam(1)='H1''',atnam(2)='H2',
       r1 = 1.110, r2 = 3.110, r3 = 3.260, r4 = 5.260,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  81
 &rst  iat = 12, 11, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.620, r2 = 3.620, r3 = 4.310, r4 = 6.310,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  82
 &rst  iat = 12, 11, iresid = 1, atnam(1)='H8',atnam(2)='H8',
       r1 = 2.390, r2 = 4.390, r3 = 5.660, r4 = 7.660,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  83
 &rst  iat = 12, 11, iresid = 1, atnam(1)='H8',atnam(2)='H2',
       r1 = 2.550, r2 = 4.550, r3 = 5.480, r4 = 7.480,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  84
 &rst  iat = 12, 11, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 1.230, r2 = 3.230, r3 = 4.040, r4 = 6.040,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  85
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.380, r2 = 3.380, r3 = 3.490, r4 = 5.490,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  86
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.250, r2 = 3.250, r3 = 3.610, r4 = 5.610,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  87
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 0.810, r2 = 2.810, r3 = 3.070, r4 = 5.070,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  88
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.500, r2 = 3.500, r3 = 4.740, r4 = 6.740,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  89
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H5',atnam(2)='H8',
       r1 = 2.140, r2 = 4.140, r3 = 4.510, r4 = 6.510,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  90
 &rst  iat = 14, 13, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 2.070, r2 = 4.070, r3 = 5.480, r4 = 7.480,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  91
 &rst  iat = 14, 14, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.330, r2 = 3.330, r3 = 3.460, r4 = 5.460,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  92
 &rst  iat = 14, 14, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.330, r2 = 3.330, r3 = 4.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  93
 &rst  iat = 14, 14, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.550, r2 = 2.550, r3 = 2.700, r4 = 4.700,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  94
 &rst  iat = 15, 14, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1',
       r1 = 1.430, r2 = 3.430, r3 = 3.690, r4 = 5.690,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  95
 &rst  iat = 15, 14, iresid = 1, atnam(1)='H6',atnam(2)='H8',
       r1 = 2.160, r2 = 4.160, r3 = 5.140, r4 = 7.140,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  96
 &rst  iat = 15, 14, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
       r1 = 0.290, r2 = 2.290, r3 = 2.540, r4 = 4.540,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  97
 &rst  iat = 15, 14, iresid = 1, atnam(1)='H5',atnam(2)='H8',
       r1 = 1.500, r2 = 3.500, r3 = 3.740, r4 = 5.740,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  98
 &rst  iat = 15, 14, iresid = 1, atnam(1)='H5',atnam(2)='H2''1',
       r1 = 1.680, r2 = 3.680, r3 = 5.360, r4 = 7.360,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number  99
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.540, r2 = 3.540, r3 = 4.180, r4 = 6.180,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 100
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 0.450, r2 = 2.450, r3 = 2.590, r4 = 4.590,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 101
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.600, r2 = 2.600, r3 = 2.790, r4 = 4.790,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 102
 &rst  iat = 16, 15, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1',
       r1 = 1.580, r2 = 3.580, r3 = 3.950, r4 = 5.950,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 103
 &rst  iat = 16, 15, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.750, r2 = 3.750, r3 = 4.520, r4 = 6.520,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 104
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.440, r2 = 3.440, r3 = 3.700, r4 = 5.700,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 105
 &rst  iat = 16, 15, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.500, r2 = 3.500, r3 = 3.770, r4 = 5.770,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 106
 &rst  iat = 16, 15, iresid = 1, atnam(1)='H5',atnam(2)='H2''1',
       r1 = 1.240, r2 = 3.240, r3 = 3.840, r4 = 5.840,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 107
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.170, r2 = 3.170, r3 = 3.960, r4 = 5.960,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 108
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 0.310, r2 = 2.310, r3 = 2.450, r4 = 4.450,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 109
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.460, r2 = 2.460, r3 = 2.650, r4 = 4.650,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 110
 &rst  iat = 17, 16, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1',
       r1 = 1.510, r2 = 3.510, r3 = 4.290, r4 = 6.290,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 111
 &rst  iat = 17, 16, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.880, r2 = 3.880, r3 = 5.470, r4 = 7.470,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 112
 &rst  iat = 17, 16, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 0.550, r2 = 2.550, r3 = 2.670, r4 = 4.670,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 113
 &rst  iat = 17, 16, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 0.130, r2 = 2.130, r3 = 2.340, r4 = 4.340,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 114
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.330, r2 = 3.330, r3 = 3.530, r4 = 5.530,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 115
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 1.710, r2 = 3.710, r3 = 4.100, r4 = 6.100,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 116
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.570, r2 = 3.570, r3 = 4.360, r4 = 6.360,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 117
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 0.370, r2 = 2.370, r3 = 2.520, r4 = 4.520,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 118
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.560, r2 = 2.560, r3 = 2.860, r4 = 4.860,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 119
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.790, r2 = 2.790, r3 = 3.160, r4 = 5.160,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 120
 &rst  iat = 18, 17, iresid = 1, atnam(1)='H1''',atnam(2)='H2',
       r1 = 1.860, r2 = 3.860, r3 = 4.380, r4 = 6.380,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 121
 &rst  iat = 18, 17, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 2.320, r2 = 4.320, r3 = 5.480, r4 = 7.480,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 122
 &rst  iat = 18, 17, iresid = 1, atnam(1)='H6',atnam(2)='H8',
       r1 = 2.360, r2 = 4.360, r3 = 5.640, r4 = 7.640,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 123
 &rst  iat = 18, 17, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
       r1 = 1.120, r2 = 3.120, r3 = 3.760, r4 = 5.760,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 124
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.460, r2 = 3.460, r3 = 3.760, r4 = 5.760,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 125
 &rst  iat = 18, 17, iresid = 1, atnam(1)='H5',atnam(2)='H8',
       r1 = 1.750, r2 = 3.750, r3 = 4.340, r4 = 6.340,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 126
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 0.460, r2 = 2.460, r3 = 2.570, r4 = 4.570,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 127
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.060, r2 = 3.060, r3 = 3.360, r4 = 5.360,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 128
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 2.320, r2 = 4.320, r3 = 6.090, r4 = 8.090,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 129
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.870, r2 = 2.870, r3 = 3.130, r4 = 5.130,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 130
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 0.880, r2 = 2.880, r3 = 3.120, r4 = 5.120,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 131
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 1.250, r2 = 3.250, r3 = 3.500, r4 = 5.500,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 132
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 2.240, r2 = 4.240, r3 = 5.640, r4 = 7.640,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 133
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H4''',atnam(2)='H3''',
       r1 = 0.870, r2 = 2.870, r3 = 3.170, r4 = 5.170,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 134
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H4''',atnam(2)='H2''2',
       r1 = 1.550, r2 = 3.550, r3 = 4.160, r4 = 6.160,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 135
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.830, r2 = 2.830, r3 = 3.030, r4 = 5.030,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 136
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H4''',atnam(2)='H6',
       r1 = 1.540, r2 = 3.540, r3 = 4.200, r4 = 6.200,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 137
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H4''',atnam(2)='H3''',
       r1 = 0.690, r2 = 2.690, r3 = 3.010, r4 = 5.010,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 138
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1',
       r1 = 1.640, r2 = 3.640, r3 = 4.300, r4 = 6.300,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 139
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.090, r2 = 4.090, r3 = 5.190, r4 = 7.190,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 140
 &rst  iat =  1,  2, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.190, r2 = 4.190, r3 = 4.530, r4 = 6.530,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 141
 &rst  iat =  22, -1 ,
       igr2 =  48,  49,  50,
       r1 = 2.640, r2 = 4.640, r3 = 5.440, r4 = 7.440,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 142
 &rst  iat =  1, 17, iresid = 1, atnam(1)='H2',atnam(2)='H2',
       r1 = 2.230, r2 = 4.230, r3 = 4.540, r4 = 6.540,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 143
 &rst  iat =  1, 18, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.710, r2 = 4.710, r3 = 5.600, r4 = 7.600,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 144
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.880, r2 = 2.880, r3 = 3.260, r4 = 5.260,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 145
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.610, r2 = 3.610, r3 = 4.110, r4 = 6.110,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 146
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H4''',atnam(2)='H3''',
       r1 = 0.920, r2 = 2.920, r3 = 3.200, r4 = 5.200,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 147
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1',
       r1 = 1.270, r2 = 3.270, r3 = 4.570, r4 = 6.570,
       rk2 =30.000, rk3 =30.000, /    
#=================================================================

# distance constraint number 151
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.230, r2 = 3.230, r3 = 3.960, r4 = 5.960,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 152
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H1''',atnam(2)='H3''',
       r1 = 1.650, r2 = 3.650, r3 = 4.380, r4 = 6.380,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 153
 &rst  iat =  4,  5, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.500, r2 = 3.500, r3 = 4.570, r4 = 6.570,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 154
 &rst  iat = 107, -1 ,
       igr2 = 146, 147, 148,
       r1 = 2.840, r2 = 4.840, r3 = 5.810, r4 = 7.810,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 155
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.140, r2 = 3.140, r3 = 3.370, r4 = 5.370,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 156
 &rst  iat = 140, -1 ,
       igr2 = 146, 147, 148,
       r1 = 3.080, r2 = 5.080, r3 = 6.410, r4 = 8.410,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 157
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H1''',atnam(2)='H3''',
       r1 = 2.440, r2 = 4.440, r3 = 5.600, r4 = 7.600,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 158
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 2.240, r2 = 4.240, r3 = 5.430, r4 = 7.430,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 159
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 1.070, r2 = 3.070, r3 = 3.410, r4 = 5.410,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 160
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.670, r2 = 3.670, r3 = 4.440, r4 = 6.440,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 161
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.880, r2 = 2.880, r3 = 3.120, r4 = 5.120,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 162
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1',
       r1 = 0.780, r2 = 2.780, r3 = 3.400, r4 = 5.400,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 163
 &rst  iat =  6,  7, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.590, r2 = 3.590, r3 = 4.860, r4 = 6.860,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 164
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H3''',atnam(2)='H4''',
       r1 = 1.200, r2 = 3.200, r3 = 3.730, r4 = 5.730,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 165
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.710, r2 = 3.710, r3 = 4.680, r4 = 6.680,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 166
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H3''',atnam(2)='H2''1',
       r1 = 0.350, r2 = 2.350, r3 = 2.590, r4 = 4.590,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 167
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H3''',atnam(2)='H2''2',
       r1 = 0.880, r2 = 2.880, r3 = 3.520, r4 = 5.520,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 168
 &rst  iat =  7,  8, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.370, r2 = 3.370, r3 = 4.470, r4 = 6.470,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 169
 &rst  iat = 222, -1 ,
       igr2 = 244, 245, 246,
       r1 = 1.560, r2 = 3.560, r3 = 3.900, r4 = 5.900,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 170
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.680, r2 = 2.680, r3 = 2.990, r4 = 4.990,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 171
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.510, r2 = 3.510, r3 = 4.650, r4 = 6.650,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 172
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H3''',atnam(2)='H2''1',
       r1 = 0.470, r2 = 2.470, r3 = 2.740, r4 = 4.740,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 173
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.840, r2 = 2.840, r3 = 3.080, r4 = 5.080,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 174
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1',
       r1 = 1.490, r2 = 3.490, r3 = 4.850, r4 = 6.850,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 175
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H4''',atnam(2)='H2''2',
       r1 = 0.980, r2 = 2.980, r3 = 3.410, r4 = 5.410,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 176
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.300, r2 = 3.300, r3 = 4.450, r4 = 6.450,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 177
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H3''',atnam(2)='H2''1',
       r1 = 0.390, r2 = 2.390, r3 = 2.680, r4 = 4.680,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 178
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H3''',atnam(2)='H2''2',
       r1 = 1.090, r2 = 3.090, r3 = 3.850, r4 = 5.850,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 179
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 1.240, r2 = 3.240, r3 = 3.480, r4 = 5.480,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 180
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.580, r2 = 3.580, r3 = 4.100, r4 = 6.100,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 181
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 1.270, r2 = 3.270, r3 = 3.590, r4 = 5.590,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 182
 &rst  iat = 11, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 1.750, r2 = 3.750, r3 = 4.450, r4 = 6.450,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 183
 &rst  iat = 11, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.360, r2 = 2.360, r3 = 2.680, r4 = 4.680,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 184
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 0.500, r2 = 2.500, r3 = 3.680, r4 = 5.680,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 185
 &rst  iat = 13, 14, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.940, r2 = 3.940, r3 = 4.850, r4 = 6.850,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 186
 &rst  iat = 12, 13, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.080, r2 = 3.080, r3 = 3.610, r4 = 5.610,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 187
 &rst  iat = 13, 14, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 1.400, r2 = 3.400, r3 = 3.760, r4 = 5.760,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 188
 &rst  iat = 14, 14, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 1.260, r2 = 3.260, r3 = 3.720, r4 = 5.720,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 189
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 1.080, r2 = 3.080, r3 = 3.380, r4 = 5.380,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 190
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H4''',atnam(2)='H6',
       r1 = 0.920, r2 = 2.920, r3 = 3.410, r4 = 5.410,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 191
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 1.090, r2 = 3.090, r3 = 3.340, r4 = 5.340,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 192
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.460, r2 = 3.460, r3 = 4.060, r4 = 6.060,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 193
 &rst  iat = 14,  5, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.330, r2 = 4.330, r3 = 5.220, r4 = 7.220,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number 194
 &rst  iat =  8,  9, iresid = 1, atnam(1)='H2''2',atnam(2)='H5',
       r1 = 1.660, r2 = 3.660, r3 = 4.820, r4 = 6.820,
       rk2 =30.000, rk3 =30.000, /    

#Semi Qualitative rst 250ms ========================================
# distance constraint number   1
 &rst  iat =  8,  11, iresid = 1, atnam(1)='H1''',atnam(2)='H2',
       r1 = 3.00, r2 = 4.00, r3 = 6.00, r4 = 8.00,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number   2
 &rst  iat =  14,  15, iresid = 1, atnam(1)='H2',atnam(2)='H6',
       r1 = 4.00, r2 = 5.00, r3 = 7.00, r4 = 9.00,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number   3
 &rst  iat =  15,  15, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.00, r2 = 3.00, r3 = 4.00, r4 = 5.00,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number   4
 &rst  iat =  2,  17, iresid = 1, atnam(1)='H6',atnam(2)='H2',
       r1 = 3.50, r2 = 4.50, r3 = 6.00, r4 = 7.00,
       rk2 =30.000, rk3 =30.000, /     
#150ms==============================================================
# distance constraint number   1
 &rst  iat =  2,  3, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 2.00, r2 = 2.50, r3 = 4.50, r4 = 5.00,
       rk2 =30.000, rk3 =30.000, /    

#==================================================================
#Borano rst BH3-T5H6  
 distance constraint number 1
 &rst  iat = 143, -1 ,
       igr2 = 194, 195, 196,
       r1 = 2.00, r2 = 3.00, r3 = 6.00, r4 = 7.00,
       rk2 =30.000, rk3 =30.000, /    

#Borano rst BH3-G6H8
 distance constraint number 2
 &rst  iat = 175, -1 ,
       igr2 = 194, 195, 196,
       r1 = 1.00, r2 = 2.0, r3 = 4.5, r4 = 5.50,
       rk2 =30.000, rk3 =30.000, /    

#Borano rst BH3-G6H3'
 distance constraint number 3
 &rst  iat = 189, -1 ,
       igr2 = 194, 195, 196,
       r1 = 1.00, r2 = 2.00, r3 = 4.50, r4 = 5.50,
       rk2 =30.000, rk3 =30.000, /    

#Borano rst BH3-T5H4'
 distance constraint number 4
 &rst  iat = 137, -1 ,
       igr2 = 194, 195, 196,
       r1 = 3.00, r2 = 4.0, r3 = 6.4, r4 = 7.40,
       rk2 =30.000, rk3 =30.000, /    

# G-C base pairs: 3-16,4-15,6-13,12-7,10-9:

 &rst  iat =  3,  16, iresid = 1, atnam(1)='O6',atnam(2)='N4',
       r1 = 0, r2 = 2.81, r3 = 3.01, r4 = 3.51,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  3,  16, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  3,  16, iresid = 1, atnam(1)='N2',atnam(2)='O2',
       r1 = 0, r2 = 2.76, r3 = 2.96, r4 = 3.46,
       rk2 =25.00, rk3 =25.00, /

 &rst  iat =  4,  15, iresid = 1, atnam(1)='O6',atnam(2)='N4',
       r1 = 0, r2 = 2.81, r3 = 3.01, r4 = 3.51,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  4,  15, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  4,  15, iresid = 1, atnam(1)='N2',atnam(2)='O2',
       r1 = 0, r2 = 2.76, r3 = 2.96, r4 = 3.46,
       rk2 =25.00, rk3 =25.00, /

 &rst  iat =  6,  13, iresid = 1, atnam(1)='O6',atnam(2)='N4',
       r1 = 0, r2 = 2.81, r3 = 3.01, r4 = 3.51,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  6,  13, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  6,  13, iresid = 1, atnam(1)='N2',atnam(2)='O2',
       r1 = 0, r2 = 2.76, r3 = 2.96, r4 = 3.46,
       rk2 =25.00, rk3 =25.00, /

 &rst  iat =  12,  7, iresid = 1, atnam(1)='O6',atnam(2)='N4',
       r1 = 0, r2 = 2.81, r3 = 3.01, r4 = 3.51,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  12,  7, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  12,  7, iresid = 1, atnam(1)='N2',atnam(2)='O2',
       r1 = 0, r2 = 2.76, r3 = 2.96, r4 = 3.46,
       rk2 =25.00, rk3 =25.00, /

 &rst  iat =  10,  9, iresid = 1, atnam(1)='O6',atnam(2)='N4',
       r1 = 0, r2 = 2.81, r3 = 3.01, r4 = 3.51,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  10,  9, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  10,  9, iresid = 1, atnam(1)='N2',atnam(2)='O2',
       r1 = 0, r2 = 2.76, r3 = 2.96, r4 = 3.46,
       rk2 =25.00, rk3 =25.00, /



# A-T/U base pairs: 1-18,17-2,11-8:

 &rst  iat =  1,  18, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.72, r3 = 2.92, r4 = 3.42,
       rk2 =25.00, rk3 =25.00, /   

 &rst  iat =  1,  18, iresid = 1, atnam(1)='N6',atnam(2)='O4',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /   

 &rst  iat = 17,  2, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.72, r3 = 2.92, r4 = 3.42,
       rk2 =25.00, rk3 =25.00, /   

 &rst  iat = 17,  2, iresid = 1, atnam(1)='N6',atnam(2)='O4',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /   

 &rst  iat = 11,  8, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.72, r3 = 2.92, r4 = 3.42,
       rk2 =25.00, rk3 =25.00, /   

 &rst  iat = 11,  8, iresid = 1, atnam(1)='N6',atnam(2)='O4',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /   

 &rst  iat =  14,  5, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /   

 &rst  iat = 14,  5, iresid = 1, atnam(1)='N6',atnam(2)='O4',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /   

#BPS IMINO RSTS 

# distance constraint number   1
 &rst  iat =  4,  5, iresid = 1, atnam(1)='H1',atnam(2)='H3',
       r1 = 1.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number   2
 &rst  iat =  8,  12, iresid = 1, atnam(1)='H3',atnam(2)='H1',
       r1 = 1.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, / 
# distance constraint number   3
 &rst  iat =  6,  12, iresid = 1, atnam(1)='H1',atnam(2)='H1',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number   4
 &rst  iat =  3,  4, iresid = 1, atnam(1)='H1',atnam(2)='H1',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, / 
# distance constraint number   5
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H3',atnam(2)='H1',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number   6
 &rst  iat =  12,  7, iresid = 1, atnam(1)='H1',atnam(2)='H41',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, / 
# distance constraint number   7
 &rst  iat =  12,  7, iresid = 1, atnam(1)='H1',atnam(2)='H42',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number   8
 &rst  iat =  4,  15, iresid = 1, atnam(1)='H1',atnam(2)='H41',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, / 
# distance constraint number   9
 &rst  iat =  4,  15, iresid = 1, atnam(1)='H1',atnam(2)='H42',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number   10
 &rst  iat =  6,  13, iresid = 1, atnam(1)='H1',atnam(2)='H41',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, / 
# distance constraint number   11
 &rst  iat =  6,  13, iresid = 1, atnam(1)='H1',atnam(2)='H42',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number   12
 &rst  iat =  3,  16, iresid = 1, atnam(1)='H1',atnam(2)='H41',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, / 
# distance constraint number   13
 &rst  iat =  3,  16, iresid = 1, atnam(1)='H1',atnam(2)='H42',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number   14
 &rst  iat =  8,  11, iresid = 1, atnam(1)='H3',atnam(2)='H2',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, / 
#========================================================
#MAYBE NOISE - DO NOT TRY 1st ROUND
# distance constraint number   15
# &rst  iat =  12,  11, iresid = 1, atnam(1)='H1',atnam(2)='H2',
#       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
#       rk2 =30.000, rk3 =30.000, /    
#=========================================================

# distance constraint number   16
 &rst  iat =  5,  14, iresid = 1, atnam(1)='H3',atnam(2)='H2',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, / 
# distance constraint number   17
 &rst  iat =  4,  14, iresid = 1, atnam(1)='H1',atnam(2)='H2',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number   18
 &rst  iat =  6,  14, iresid = 1, atnam(1)='H1',atnam(2)='H2',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, /
# distance constraint number   19
 &rst  iat =  3,  17, iresid = 1, atnam(1)='H1',atnam(2)='H2',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, /    
#==============================================================
# IMINO -> H1' LONG RANGE SOME MAYBE NOISE - set R3 = 5.5A 

# distance constraint number   20
 &rst  iat =  3,  17, iresid = 1, atnam(1)='H1',atnam(2)='H1''',
       r1 = 0.50, r2 = 2.00, r3 = 5.50, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, / 
# distance constraint number   21
 &rst  iat =  6,  14, iresid = 1, atnam(1)='H1',atnam(2)='H1''',
       r1 = 0.50, r2 = 2.00, r3 = 5.50, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, /    
#===============================================================
#MAYBE NOISE
# distance constraint number   22
# &rst  iat =  6,  7, iresid = 1, atnam(1)='H1',atnam(2)='H1''',
#       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
#       rk2 =30.000, rk3 =30.000, /
#===============================================================
# distance constraint number   23
 &rst  iat =  4,  15, iresid = 1, atnam(1)='H1',atnam(2)='H5',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number   24
 &rst  iat =  12,  13, iresid = 1, atnam(1)='H1',atnam(2)='H1''',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, / 
# distance constraint number   25
 &rst  iat =  4,  16, iresid = 1, atnam(1)='H1',atnam(2)='H1''',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number   26
 &rst  iat =  6,  13, iresid = 1, atnam(1)='H1',atnam(2)='H5',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, /
# distance constraint number   27
 &rst  iat =  3,  16, iresid = 1, atnam(1)='H1',atnam(2)='H5',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, /    

# torsion angle constraint number   t gamma
 &rst  iat =  1,  1,  1,  1, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#============================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  1,  1,  1,  2, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 169.0, r2 = 184.0, r3 = 204.0, r4 = 219.0,
       rk2 = 200.0001, rk3 = 200.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  1,  1,  2,  2, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  1,  2,  2,  2, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  2,  2,  2,  2, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  2,  2,  2,  2, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#=================================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  2,  2,  2,  3, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 167.0, r2 = 182.0, r3 = 202.0, r4 = 217.0,
       rk2 = 200.0001, rk3 = 200.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  2,  2,  3,  3, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  2,  3,  3,  3, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  3,  3,  3,  3, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  3,  3,  3,  3, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#==============================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  3,  3,  3,  4, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 171.0, r2 = 186.0, r3 = 210.0, r4 = 225.0,
       rk2 = 75.0001, rk3 = 75.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  3,  3,  4,  4, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  3,  4,  4,  4, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  4,  4,  4,  4, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  4,  4,  4,  4, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#===========================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  4,  4,  4,  5, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 171.0, r2 = 186.0, r3 = 216.0, r4 = 231.0,
       rk2 = 10.0001, rk3 = 10.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  4,  4,  5,  5, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  4,  5,  5,  5, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  5,  5,  5,  5, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  5,  5,  5,  5, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#============================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  5,  5,  5,  6, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 151.0, r2 = 166.0, r3 = 186.0, r4 = 201.0
       rk2 = 200.0001, rk3 = 200.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  5,  5,  6,  6, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  5,  6,  6,  6, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  6,  6,  6,  6, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  6,  6,  6,  6, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#===========================================================================

# torsion angle constraint number   1 epsilon
 &rst  iat =  6,  6,  6,  7, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 156.0, r2 = 171.0, r3 = 195.0, r4 = 210.0,
       rk2 = 150.0001, rk3 = 150.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  6,  6,  7,  7, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  6,  7,  7,  7, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  7,  7,  7,  7, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  7,  7,  7,  7, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#===========================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  7,  7,  7,  8, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 166.0, r2 = 181.0, r3 = 201.0, r4 = 216.0,
       rk2 = 200.0001, rk3 = 200.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  7,  7,  8,  8, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  7,  8,  8,  8, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  8,  8,  8,  8, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  8,  8,  8,  8, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#=========================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  8,  8,  8,  9, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 164.0, r2 = 179.0, r3 = 199.0, r4 = 214.0,
       rk2 = 200.0001, rk3 = 200.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  8,  8,  9,  9, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  8,  9,  9,  9, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  9,  9,  9,  9, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  9,  9,  9,  9, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /

#2nd Strand ============================================================

# torsion angle constraint number   t gamma
# &rst  iat =  10,  10,  10,  10, iresid = 1, 
#       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
#       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
#       rk2 = 50.0005, rk3 = 50.0005, /
#====================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  10,  10,  10,  11, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 179.0, r2 = 194.0, r3 = 224.0, r4 = 239.0,
       rk2 = 50.0001, rk3 = 50.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  10,  10,  11,  11, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  10,  11,  11,  11, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  11,  11,  11,  11, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number   5 gamma
 &rst  iat =  11,  11,  11,  11, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#========================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  11,  11,  11,  12, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 177.0, r2 = 192.0, r3 = 222.0, r4 = 237.0,
       rk2 = 50.0001, rk3 = 50.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  11,  11,  12,  12, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  11, 12,  12,  12, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  12,  12,  12,  12, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat = 12, 12,  12,  12, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#=============================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  12,  12,  12,  13, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 189.1, r2 = 199.1, r3 = 219.1, r4 = 229.1,
       rk2 = 50.0001, rk3 = 50.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  12,  12,  13,  13, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  12,  13,  13,  13, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat = 13,  13,  13,  13, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  13,  13,  13,  13, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /

#==================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  13,  13,  13,  14, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 189.1, r2 = 199.1, r3 = 209.1, r4 = 219.1,
       rk2 = 50.0001, rk3 = 50.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  13,  13,  14,  14, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  13,  14,  14,  14, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  14,  14,  14,  14, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  14,  14,  14,  14, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#=========================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  14,  14,  14,  15, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 176.0, r2 = 191.0, r3 = 221.0, r4 = 236.0,
       rk2 = 150.0001, rk3 = 150.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  14,  14,  15,  15, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  14,  15,  15,  15, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  15,  15,  15,  15, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  15,  15,  15,  15, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#========================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  15,  15,  15,  16, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 189.1, r2 = 199.1, r3 = 219.1, r4 = 229.1,
       rk2 = 50.0001, rk3 = 50.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  15, 15, 16, 16, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat = 15, 16, 16, 16, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat = 16, 16, 16, 16, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat = 16, 16, 16, 16, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#=========================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  16,  16,  16,  17, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 185.0, r2 = 200.0, r3 = 230.0, r4 = 245.0,
       rk2 = 75.0001, rk3 = 75.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  16, 16, 17, 17, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat = 16, 17, 17, 17, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat = 17, 17, 17, 17, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat = 17, 17, 17, 17, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#========================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  17,  17,  17,  18, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 173.0, r2 = 188.0, r3 = 218.0, r4 = 233.0,
       rk2 = 150.0001, rk3 = 150.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  17, 17, 18, 18, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat = 17, 18, 18, 18, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat = 18, 18, 18, 18, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat = 18, 18, 18, 18, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /


 /   

# 578 atoms read from pdb file BPS2.pdb
# no data available due to overlap for G4 T5 G6

# 1 ADE NU0:  (1 DA5 C4')-(1 DA5 O4')-(1 DA5 C1')-(1 DA5 C2') -47.6 -17.6
 &rst     iat =     6,     8,     9,    27,
   r1 = -48.6, r2 = -47.6, r3 = -17.6, r4 = -16.6,
   rk2 =  50.0, rk3 =   50.0, /    

# 1 ADE NU1:  (1 DA5 O4')-(1 DA5 C1')-(1 DA5 C2')-(1 DA5 C3')  18.8  48.8
 &rst     iat =     8,     9,    27,    25,
   r1 =  17.8, r2 =  18.8, r3 =  48.8, r4 =  49.8,
   rk2 =  50.0, rk3 =   50.0,    /    

# 1 ADE NU2:  (1 DA5 C1')-(1 DA5 C2')-(1 DA5 C3')-(1 DA5 C4') -36.6  -6.6
 &rst     iat =     9,    27,    25,     6,
   r1 = -37.6, r2 = -36.6, r3 =  -6.6, r4 =  -5.6,
   rk2 =  50.0, rk3 =   50.0,    /    

# 1 ADE NU3:  (1 DA5 C2')-(1 DA5 C3')-(1 DA5 C4')-(1 DA5 O4') -15.0  18.1
 &rst     iat =    27,    25,     6,     8,
   r1 = -16.0, r2 = -15.0, r3 =  18.1, r4 =  19.1,
   rk2 =  50.0, rk3 =   50.0,    /    

# 1 ADE NU4:  (1 DA5 C3')-(1 DA5 C4')-(1 DA5 O4')-(1 DA5 C1')   4.2  34.2
 &rst     iat =    25,     6,     8,     9,
   r1 =   3.2, r2 =   4.2, r3 =  34.2, r4 =  35.2,
   rk2 =  50.0, rk3 =   50.0,    /    

# 2 THY NU0:  (2 DT C4')-(2 DT O4')-(2 DT C1')-(2 DT C2') -42.6 -12.6
 &rst     iat =    38,    40,    41,    59,
   r1 = -43.6, r2 = -42.6, r3 = -12.6, r4 = -11.6,
   rk2 =  50.0, rk3 =   50.0,    /    

# 2 THY NU1:  (2 DT O4')-(2 DT C1')-(2 DT C2')-(2 DT C3')  21.6  51.6
 &rst     iat =    40,    41,    59,    57,
   r1 =  20.6, r2 =  21.6, r3 =  51.6, r4 =  52.6,
   rk2 =  50.0, rk3 =   50.0,    /    

# 2 THY NU2:  (2 DT C1')-(2 DT C2')-(2 DT C3')-(2 DT C4') -44.4 -14.4
 &rst     iat =    41,    59,    57,    38,
   r1 = -45.4, r2 = -44.4, r3 = -14.4, r4 = -13.4,
   rk2 =  50.0, rk3 =   50.0,    /    

# 2 THY NU3:  (2 DT C2')-(2 DT C3')-(2 DT C4')-(2 DT O4')  -2.6  27.4
 &rst     iat =    59,    57,    38,    40,
   r1 =  -3.6, r2 =  -2.6, r3 =  27.4, r4 =  28.4,
   rk2 =  50.0, rk3 =   50.0,    /    

# 2 THY NU4:  (2 DT C3')-(2 DT C4')-(2 DT O4')-(2 DT C1')  -5.5  24.5
 &rst     iat =    57,    38,    40,    41,
   r1 =  -6.5, r2 =  -5.5, r3 =  24.5, r4 =  25.5,
   rk2 =  50.0, rk3 =   50.0,    /    

# 3 GUA NU0:  (3 DG C4')-(3 DG O4')-(3 DG C1')-(3 DG C2') -40.2 -10.2
 &rst     iat =    70,    72,    73,    92,
   r1 = -41.2, r2 = -40.2, r3 = -10.2, r4 =  -9.2,
   rk2 =  50.0, rk3 =   50.0,    /    

# 3 GUA NU1:  (3 DG O4')-(3 DG C1')-(3 DG C2')-(3 DG C3')  19.2  49.2
 &rst     iat =    72,    73,    92,    90,
   r1 =  18.2, r2 =  19.2, r3 =  49.2, r4 =  50.2,
   rk2 =  50.0, rk3 =   50.0,    /    

# 3 GUA NU2:  (3 DG C1')-(3 DG C2')-(3 DG C3')-(3 DG C4') -39.2  -9.2
 &rst     iat =    73,    92,    90,    70,
   r1 = -40.2, r2 = -39.2, r3 =  -9.2, r4 =  -8.2,
   rk2 =  50.0, rk3 =   50.0,    /    

# 3 GUA NU3:  (3 DG C2')-(3 DG C3')-(3 DG C4')-(3 DG O4') -13.8  31.1
 &rst     iat =    92,    90,    70,    72,
   r1 = -14.8, r2 = -13.8, r3 =  31.1, r4 =  32.1,
   rk2 =  50.0, rk3 =   50.0,    /    

# 3 GUA NU4:  (3 DG C3')-(3 DG C4')-(3 DG O4')-(3 DG C1') -11.8  32.3
 &rst     iat =    90,    70,    72,    73,
   r1 = -12.8, r2 = -11.8, r3 =  32.3, r4 =  33.3,
   rk2 =  50.0, rk3 =   50.0,    /    
#========================================================================
# 7 CYT NU0:  (7 DC C4')-(7 DC O4')-(7 DC C1')-(7 DC C2') -20.7   9.3
 &rst     iat =   204,   206,   207,   223,
   r1 = -21.7, r2 = -20.7, r3 =   9.3, r4 =  10.3,
   rk2 =  50.0, rk3 =   50.0,    /    

# 7 CYT NU1:  (7 DC O4')-(7 DC C1')-(7 DC C2')-(7 DC C3') -31.6  -1.6
 &rst     iat =   206,   207,   223,   221,
   r1 = -32.6, r2 = -31.6, r3 =  -1.6, r4 =  -0.6,
   rk2 =  50.0, rk3 =   50.0,    /    

# 7 CYT NU2:  (7 DC C1')-(7 DC C2')-(7 DC C3')-(7 DC C4')  17.6  47.6
 &rst     iat =   207,   223,   221,   204,
   r1 =  16.6, r2 =  17.6, r3 =  47.6, r4 =  48.6,
   rk2 =  50.0, rk3 =   50.0,    /    

# 7 CYT NU3:  (7 DC C2')-(7 DC C3')-(7 DC C4')-(7 DC O4') -51.4 -21.4
 &rst     iat =   223,   221,   204,   206,
   r1 = -52.4, r2 = -51.4, r3 = -21.4, r4 = -20.4,
   rk2 =  50.0, rk3 =   50.0,    /    

# 7 CYT NU4:  (7 DC C3')-(7 DC C4')-(7 DC O4')-(7 DC C1')  10.9  40.9
 &rst     iat =   221,   204,   206,   207,
   r1 =   9.9, r2 =  10.9, r3 =  40.9, r4 =  41.9,
   rk2 =  50.0, rk3 =   50.0,    /    

# 8 THY NU0:  (8 DT C4')-(8 DT O4')-(8 DT C1')-(8 DT C2') -47.2 -17.2
 &rst     iat =   234,   236,   237,   255,
   r1 = -48.2, r2 = -47.2, r3 = -17.2, r4 = -16.2,
   rk2 =  50.0, rk3 =   50.0,    /    

# 8 THY NU1:  (8 DT O4')-(8 DT C1')-(8 DT C2')-(8 DT C3')  21.1  51.1
 &rst     iat =   236,   237,   255,   253,
   r1 =  20.1, r2 =  21.1, r3 =  51.1, r4 =  52.1,
   rk2 =  50.0, rk3 =   50.0,    /    

# 8 THY NU2:  (8 DT C1')-(8 DT C2')-(8 DT C3')-(8 DT C4') -40.6 -10.6
 &rst     iat =   237,   255,   253,   234,
   r1 = -41.6, r2 = -40.6, r3 = -10.6, r4 =  -9.6,
   rk2 =  50.0, rk3 =   50.0,    /    

# 8 THY NU3:  (8 DT C2')-(8 DT C3')-(8 DT C4')-(8 DT O4')  -9.3  20.7
 &rst     iat =   255,   253,   234,   236,
   r1 = -10.3, r2 =  -9.3, r3 =  20.7, r4 =  21.7,
   rk2 =  50.0, rk3 =   50.0,    /    

# 8 THY NU4:  (8 DT C3')-(8 DT C4')-(8 DT O4')-(8 DT C1')   1.5  31.5
 &rst     iat =   253,   234,   236,   237,
   r1 =   0.5, r2 =   1.5, r3 =  31.5, r4 =  32.5,
   rk2 =  50.0, rk3 =   50.0,    /    

# 9 CYT NU0:  (9 DC3 C4')-(9 DC3 O4')-(9 DC3 C1')-(9 DC3 C2') -47.9 -17.9
 &rst     iat =   266,   268,   269,   285,
   r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9,
   rk2 =  50.0, rk3 =   50.0,    /    

# 9 CYT NU1:  (9 DC3 O4')-(9 DC3 C1')-(9 DC3 C2')-(9 DC3 C3')  15.6  45.6
 &rst     iat =   268,   269,   285,   283,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
   rk2 =  50.0, rk3 =   50.0,    /    

# 9 CYT NU2:  (9 DC3 C1')-(9 DC3 C2')-(9 DC3 C3')-(9 DC3 C4') -34.3   0.0
 &rst     iat =   269,   285,   283,   266,
   r1 = -35.3, r2 = -34.3, r3 =   0.0, r4 =   1.0,
   rk2 =  50.0, rk3 =   50.0,    /    

# 9 CYT NU3:  (9 DC3 C2')-(9 DC3 C3')-(9 DC3 C4')-(9 DC3 O4') -22.6  17.5
 &rst     iat =   285,   283,   266,   268,
   r1 = -23.6, r2 = -22.6, r3 =  17.5, r4 =  18.5,
   rk2 =  50.0, rk3 =   50.0,    /    

# 9 CYT NU4:  (9 DC3 C3')-(9 DC3 C4')-(9 DC3 O4')-(9 DC3 C1')   6.1  36.6
 &rst     iat =   283,   266,   268,   269,
   r1 =   5.1, r2 =   6.1, r3 =  36.6, r4 =  37.6,
   rk2 =  50.0, rk3 =   50.0,    /    

# G-C Base pair angle restraints
#3-16, 4-15, 6-13, 12-7, 10-9 
 
 &rst  iat =  3, 16, 16, iresid = 1, atnam(1)='O6',atnam(2)='H41',
       atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  3,  3, 16, iresid = 1, atnam(1)='N2',atnam(2)='H21',
       atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  3,  3, 16, iresid = 1, atnam(1)='N1',atnam(2)='H1',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /

 &rst  iat =  4, 15, 15, iresid = 1, atnam(1)='O6',atnam(2)='H41',
       atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  4, 4, 15, iresid = 1, atnam(1)='N2',atnam(2)='H21',
       atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  4, 4, 15, iresid = 1, atnam(1)='N1',atnam(2)='H1',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /

 &rst  iat =  6,  13, 13, iresid = 1, atnam(1)='O6',atnam(2)='H41',
       atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  6, 6, 13, iresid = 1, atnam(1)='N2',atnam(2)='H21',
       atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  6, 6, 13, iresid = 1, atnam(1)='N1',atnam(2)='H1',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /

 &rst  iat =  12,  7, 7, iresid = 1, atnam(1)='O6',atnam(2)='H41',
       atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  12, 12, 7, iresid = 1, atnam(1)='N2',atnam(2)='H21',
       atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  12, 12, 7, iresid = 1, atnam(1)='N1',atnam(2)='H1',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /

 &rst  iat =  10, 9, 9, iresid = 1, atnam(1)='O6',atnam(2)='H41',
       atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  10,  10, 9, iresid = 1, atnam(1)='N2',atnam(2)='H21',
       atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  10,  10, 9, iresid = 1, atnam(1)='N1',atnam(2)='H1',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
#================================================================================

#A-T Base Pair angle restraints
#1-18, 17-2, 14-5, 11-8

 &rst  iat =  1,  18, 18, iresid = 1, atnam(1)='N1',atnam(2)='H3',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  1,  1, 18, iresid = 1, atnam(1)='N6',atnam(2)='H61',
       atnam(3)='O4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /

 &rst  iat =   17, 2, 2, iresid = 1, atnam(1)='N1',atnam(2)='H3',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =   17,  17, 2, iresid = 1, atnam(1)='N6',atnam(2)='H61',
       atnam(3)='O4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /

 &rst  iat =   14, 5, 5, iresid = 1, atnam(1)='N1',atnam(2)='H3',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =   14,  14, 5, iresid = 1, atnam(1)='N6',atnam(2)='H61',
       atnam(3)='O4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /

 &rst  iat =   11, 8, 8, iresid = 1, atnam(1)='N1',atnam(2)='H3',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =   11,  11, 8, iresid = 1, atnam(1)='N6',atnam(2)='H61',
       atnam(3)='O4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &align
   ndip=45, dcut=0.0, freezemol=True,
   s11=14.437, s22=1.179, s12=-37.716, s13=-1.881, s23=12.684,
   id(1)=9,   jd(1)=10,  dobsl(1)= -0.70, dobsu(1)= -0.70, gigj(1)= 7.84665, dij(1)= 1.09, dwt(1)=1.00000,
   id(2)=41,   jd(2)=42,  dobsl(2)= 7.40, dobsu(2)= 7.40, gigj(2)= 7.84665, dij(2)= 1.09, dwt(2)=1.00000,
   id(3)=73,   jd(3)=74,  dobsl(3)= -0.90, dobsu(3)= -0.90, gigj(3)= 7.84665, dij(3)= 1.09, dwt(3)=1.00000,
   id(4)=106,   jd(4)=107,  dobsl(4)= -5.50, dobsu(4)= -5.50, gigj(4)= 7.84665, dij(4)= 1.09, dwt(4)=1.00000,
   id(5)=139,   jd(5)=140,  dobsl(5)= -0.10, dobsu(5)= -0.10, gigj(5)= 7.84665, dij(5)= 1.09, dwt(5)=1.00000,
   id(6)=171,   jd(6)=172,  dobsl(6)= 6.20, dobsu(6)= 6.20, gigj(6)= 7.84665, dij(6)= 1.09, dwt(6)=1.00000,
   id(7)=207,   jd(7)=208,  dobsl(7)= 6.40, dobsu(7)= 6.40, gigj(7)= 7.84665, dij(7)= 1.09, dwt(7)=1.00000,
   id(8)=237,   jd(8)=238,  dobsl(8)= 10.80, dobsu(8)= 10.8, gigj(8)= 7.84665, dij(8)= 1.09, dwt(8)=1.00000,
   id(9)=269,   jd(9)=270,  dobsl(9)= 4.70, dobsu(9)= 4.70, gigj(9)= 7.84665, dij(9)= 1.09, dwt(9)=1.00000,
   id(10)=298,   jd(10)=299,  dobsl(10)= -11.9, dobsu(10)= -11.9, gigj(10)= 7.84665, dij(10)= 1.09, dwt(10)=1.00000,
   id(11)=332,   jd(11)=333,  dobsl(11)= -16.0, dobsu(11)= -16.0, gigj(11)= 7.84665, dij(11)= 1.09, dwt(11)=1.00000,
   id(12)=365,   jd(12)=366,  dobsl(12)= -16.0, dobsu(12)= -16.0, gigj(12)= 7.84665, dij(12)= 1.09, dwt(12)=1.00000,
   id(13)=399,   jd(13)=400,  dobsl(13)= -9.10, dobsu(13)= -9.10, gigj(13)= 7.84665, dij(13)= 1.09, dwt(13)=1.00000,
   id(14)=430,   jd(14)=431,  dobsl(14)= -1.2, dobsu(14)= -1.2, gigj(14)= 7.84665, dij(14)= 1.09, dwt(14)=1.00000,
   id(15)=463,   jd(15)=464,  dobsl(15)= 3.50, dobsu(15)= 3.50, gigj(15)= 7.84665, dij(15)= 1.09, dwt(15)=1.00000,
   id(16)=494,   jd(16)=495,  dobsl(16)= 5.80, dobsu(16)= 5.80, gigj(16)= 7.84665, dij(16)= 1.09, dwt(16)=1.00000,
   id(17)=525,   jd(17)=526,  dobsl(17)= 3.40, dobsu(17)= 3.40, gigj(17)= 7.84665, dij(17)= 1.09, dwt(17)=1.00000,
   id(18)=558,   jd(18)=559,  dobsl(18)= 1.20, dobsu(18)= 1.20, gigj(18)= 7.84665, dij(18)= 1.09, dwt(18)=1.00000,
   id(19)=12,   jd(19)=13,  dobsl(19)= 9.10, dobsu(19)= 9.10, gigj(19)= 7.84665, dij(19)= 1.09, dwt(19)=1.00000,
   id(20)=44,   jd(20)=45,  dobsl(20)= 2.60, dobsu(20)= 2.60, gigj(20)= 7.84665, dij(20)= 1.09, dwt(20)=1.00000,
   id(21)=76,   jd(21)=77,  dobsl(21)= 5.70, dobsu(21)= 5.70, gigj(21)= 7.84665, dij(21)= 1.09, dwt(21)=1.00000,
   id(22)=109,   jd(22)=110,  dobsl(22)= 5.50, dobsu(22)= 5.50, gigj(22)= 7.84665, dij(22)= 1.09, dwt(22)=1.00000,
   id(23)=142,   jd(23)=143,  dobsl(23)= 15.40, dobsu(23)= 15.40, gigj(23)= 7.84665, dij(23)= 1.09, dwt(23)=1.00000,
   id(24)=174,   jd(24)=175,  dobsl(24)= 15.6, dobsu(24)= 15.6, gigj(24)= 7.84665, dij(24)= 1.09, dwt(24)=1.00000,
   id(25)=210,   jd(25)=211,  dobsl(25)= 11.7, dobsu(25)= 11.7, gigj(25)= 7.84665, dij(25)= 1.09, dwt(25)=1.00000,
   id(26)=240,   jd(26)=241,  dobsl(26)= 6.20, dobsu(26)= 6.20, gigj(26)= 7.84665, dij(26)= 1.09, dwt(26)=1.00000,
   id(27)=272,   jd(27)=273,  dobsl(27)= 0.6, dobsu(27)= 0.6, gigj(27)= 7.84665, dij(27)= 1.09, dwt(27)=1.00000,
   id(28)=301,   jd(28)=302,  dobsl(28)= 5.6, dobsu(28)= 5.6, gigj(28)= 7.84665, dij(28)= 1.09, dwt(28)=1.00000,
   id(29)=335,   jd(29)=336,  dobsl(29)= 2.0, dobsu(29)= 2.0, gigj(29)= 7.84665, dij(29)= 1.09, dwt(29)=1.00000,
   id(30)=368,   jd(30)=369,  dobsl(30)= 9.8, dobsu(30)= 9.8, gigj(30)= 7.84665, dij(30)= 1.09, dwt(30)=1.00000,
   id(31)=402,   jd(31)=403,  dobsl(31)= 15.4, dobsu(31)= 15.4, gigj(31)= 7.84665, dij(31)= 1.09, dwt(31)=1.00000,
   id(32)=433,   jd(32)=434,  dobsl(32)= 14.2, dobsu(32)= 14.2, gigj(32)= 7.84665, dij(32)= 1.09, dwt(32)=1.00000,
   id(33)=466,   jd(33)=467,  dobsl(33)= 9.10, dobsu(33)= 9.10, gigj(33)= 7.84665, dij(33)= 1.09, dwt(33)=1.00000,
   id(34)=497,   jd(34)=498,  dobsl(34)= 6.7, dobsu(34)= 6.7, gigj(34)= 7.84665, dij(34)= 1.09, dwt(34)=1.00000,
   id(35)=528,   jd(35)=529,  dobsl(35)= 4.1, dobsu(35)= 4.1, gigj(35)= 7.84665, dij(35)= 1.09, dwt(35)=1.00000,
   id(36)=561,   jd(36)=562,  dobsl(36)= 5.4, dobsu(36)= 5.4, gigj(36)= 7.84665, dij(36)= 1.09, dwt(36)=1.00000,
   id(37)=21,   jd(37)=22,   dobsl(37)= 9.0, dobsu(37)= 9.0, gigj(37)= 7.84665, dij(37)= 1.09, dwt(37)=1.00000,
   id(38)=344,   jd(38)=345,  dobsl(38)= 3.40, dobsu(38)= 3.40, gigj(38)= 7.84665, dij(38)= 1.09, dwt(38)=1.00000,
   id(39)=442,   jd(39)=443,  dobsl(39)= 15.9, dobsu(39)= 15.9, gigj(39)= 7.84665, dij(39)= 1.09, dwt(39)=1.00000,
   id(40)=537,   jd(40)=538,  dobsl(40)= 6.0, dobsu(40)= 6.0, gigj(40)= 7.84665, dij(40)= 1.09, dwt(40)=1.00000,
   id(41)=212,   jd(41)=213,  dobsl(41)= 10.5, dobsu(41)= 10.5, gigj(41)= 7.84665, dij(41)= 1.09, dwt(41)=1.00000,
   id(42)=274,   jd(42)=275,  dobsl(42)= 10.0, dobsu(42)= 10.0, gigj(42)= 7.84665, dij(42)= 1.09, dwt(42)=1.00000,
   id(43)=404,   jd(43)=405,  dobsl(43)= 0.1, dobsu(43)= 0.1, gigj(43)= 7.84665, dij(43)= 1.09, dwt(43)=1.00000,
   id(44)=468,   jd(44)=469,  dobsl(44)= 15.0, dobsu(44)= 15.0, gigj(44)= 7.84665, dij(44)= 1.09, dwt(44)=1.00000,
   id(45)=499,   jd(45)=500,  dobsl(45)= 15.6, dobsu(45)= 15.6, gigj(45)= 7.84665, dij(45)= 1.09, dwt(45)=1.00000,
   
  / 


  Entry H atom name         Submitted Coord H atom name
    1    H5'   DA   1           H5'       DA   1  30.949  24.723  10.947
    2   H5''   DA   1          H5''       DA   1  29.244  25.102  11.202
    3    H4'   DA   1           H4'       DA   1  29.585  22.720  10.757
    4    H3'   DA   1           H3'       DA   1  28.123  23.765  13.046
    5    H2'   DA   1           H2'       DA   1  29.139  22.612  14.657
    6   H2''   DA   1          H2''       DA   1  28.386  21.128  13.910
    7    H1'   DA   1           H1'       DA   1  30.408  20.553  13.098
    8    H8    DA   1           H8        DA   1  31.992  23.583  14.108
    9    H61   DA   1           H61       DA   1  32.957  20.763  19.705
   10    H62   DA   1           H62       DA   1  33.441  22.232  18.850
   11    H2    DA   1           H2        DA   1  30.749  18.183  17.182
   12   HO5'   DA   1          HO5'       DA   1  30.118  26.118  12.890
   13    H5'   DT   2           H5'       DT   2  26.689  19.553  12.904
   14   H5''   DT   2          H5''       DT   2  24.934  19.550  12.705
   15    H4'   DT   2           H4'       DT   2  25.482  18.112  14.495
   16    H3'   DT   2           H3'       DT   2  23.821  20.397  15.091
   17    H2'   DT   2           H2'       DT   2  25.277  21.164  16.706
   18   H2''   DT   2          H2''       DT   2  24.546  19.913  17.724
   19    H1'   DT   2           H1'       DT   2  26.278  18.251  17.140
   20    H3    DT   2           H3        DT   2  29.070  19.630  20.405
   21    H71   DT   2           H71       DT   2  28.715  23.534  16.659
   22    H72   DT   2           H72       DT   2  28.884  23.996  18.381
   23    H73   DT   2           H73       DT   2  30.244  23.254  17.529
   24    H6    DT   2           H6        DT   2  27.401  21.580  16.400
   25    H5'   DG   3           H5'       DG   3  22.578  16.038  16.225
   26   H5''   DG   3          H5''       DG   3  20.812  15.935  16.324
   27    H4'   DG   3           H4'       DG   3  21.814  14.144  17.684
   28    H3'   DG   3           H3'       DG   3  19.960  15.955  18.819
   29    H2'   DG   3           H2'       DG   3  21.533  17.205  20.012
   30   H2''   DG   3          H2''       DG   3  21.265  15.895  21.227
   31    H1'   DG   3           H1'       DG   3  23.323  14.717  20.597
   32    H8    DG   3           H8        DG   3  23.471  17.841  18.589
   33    H1    DG   3           H1        DG   3  26.224  18.652  24.343
   34    H21   DG   3           H21       DG   3  25.875  16.829  25.536
   35    H22   DG   3           H22       DG   3  25.182  15.395  24.775
   36    H5'   DG   4           H5'       DG   4  20.822  13.220  22.607
   37   H5''   DG   4          H5''       DG   4  19.220  12.905  23.263
   38    H4'   DG   4           H4'       DG   4  20.622  13.516  25.027
   39    H3'   DG   4           H3'       DG   4  18.824  15.910  24.492
   40    H2'   DG   4           H2'       DG   4  19.838  16.899  26.341
   41   H2''   DG   4          H2''       DG   4  20.387  15.352  27.023
   42    H1'   DG   4           H1'       DG   4  22.394  15.772  26.027
   43    H8    DG   4           H8        DG   4  21.194  17.176  22.851
   44    H1    DG   4           H1        DG   4  24.379  21.313  26.640
   45    H21   DG   4           H21       DG   4  24.392  20.474  28.709
   46    H22   DG   4           H22       DG   4  23.719  18.864  28.990
   47    H5'   DT   5          H5''       DT   5  18.606  15.312  28.886
   48   H5''   DT   5          H5'        DT   5  16.971  15.732  29.405
   49    H4'   DT   5           H4'       DT   5  18.684  17.160  30.388
   50    H3'   DT   5           H3'       DT   5  16.664  18.577  28.616
   51    H2'   DT   5           H2'       DT   5  18.012  20.571  29.068
   52   H2''   DT   5          H2''       DT   5  18.620  19.921  30.600
   53    H1'   DT   5           H1'       DT   5  20.631  19.278  29.536
   54    H3    DT   5           H3        DT   5  21.385  22.762  26.731
   55    H71   DT   5           H71       DT   5  18.016  20.652  23.897
   56    H72   DT   5           H72       DT   5  19.524  19.985  23.277
   57    H73   DT   5           H73       DT   5  18.415  18.935  24.196
   58    H6    DT   5           H6        DT   5  18.783  18.706  26.568
   59    HN1  BGR   6           H1       BGS   6  20.632  27.440  26.453
   60    H8   BGR   6           H8       BGS   6  17.194  22.611  28.965
   61   H1BP  BGR   6          1HB       BGS   6  13.221  20.490  30.266
   62   H2BP  BGR   6          2HB       BGS   6  13.501  18.701  29.464
   63   H3BP  BGR   6          3HB       BGS   6  14.545  20.285  28.835
   64    H1'  BGR   6           H1'      BGS   6  19.446  24.493  31.344
   65    H2'  BGR   6           H2'      BGS   6  16.789  25.427  30.998
   66   H2'A  BGR   6          H2''      BGS   6  17.667  25.345  32.552
   67    HN2  BGR   6           H21      BGS   6  21.401  28.679  28.119
   68   HN2A  BGR   6          H22       BGS   6  21.138  28.160  29.791
   69    H3'  BGR   6           H3'      BGS   6  15.777  23.320  31.300
   70    H4'  BGR   6           H4'      BGS   6  17.988  22.761  33.371
   71    H5'  BGR   6           H5'      BGS   6  17.744  20.421  32.573
   72   H5'A  BGR   6          H5''      BGS   6  16.286  21.043  33.350
   73    H5'   DC   7           H5'       DC   7  16.209  26.616  34.087
   74   H5''   DC   7          H5''       DC   7  14.696  27.492  34.349
   75    H4'   DC   7           H4'       DC   7  16.561  28.987  33.548
   76    H3'   DC   7           H3'       DC   7  14.133  28.776  31.888
   77    H2'   DC   7           H2'       DC   7  15.268  29.878  30.261
   78   H2''   DC   7          H2''       DC   7  16.214  30.904  31.350
   79    H1'   DC   7           H1'       DC   7  18.066  29.457  31.151
   80    H41   DC   7           H41       DC   7  17.413  27.758  25.047
   81    H42   DC   7           H42       DC   7  16.438  26.412  25.564
   82    H5    DC   7           H5        DC   7  15.581  26.158  27.687
   83    H6    DC   7           H6        DC   7  15.610  27.135  30.041
   84    H5'   DT   8           H5'       DT   8  16.131  32.666  32.772
   85   H5''   DT   8          H5''       DT   8  15.080  34.049  33.090
   86    H4'   DT   8           H4'       DT   8  17.042  34.520  31.560
   87    H3'   DT   8           H3'       DT   8  14.361  35.399  31.198
   88    H2'   DT   8           H2'       DT   8  14.032  34.298  29.112
   89   H2''   DT   8          H2''       DT   8  15.016  35.628  28.461
   90    H1'   DT   8           H1'       DT   8  17.033  34.349  28.536
   91    H3    DT   8           H3        DT   8  16.009  32.033  24.700
   92    H71   DT   8           H71       DT   8  13.127  29.991  28.883
   93    H72   DT   8           H72       DT   8  12.506  29.899  27.219
   94    H73   DT   8           H73       DT   8  13.842  28.860  27.710
   95    H6    DT   8           H6        DT   8  14.472  31.804  29.289
   96    H5'   DC   9           H5'       DC   9  17.007  37.552  28.121
   97   H5''   DC   9          H5''       DC   9  16.617  39.281  28.108
   98    H4'   DC   9           H4'       DC   9  16.654  38.502  25.834
   99    H3'   DC   9           H3'       DC   9  14.065  39.326  26.962
  100   HO3'   DC   9          HO3'       DC   9  14.251  40.785  25.289
  101    H2'   DC   9           H2'       DC   9  12.842  37.801  25.651
  102   H2''   DC   9          H2''       DC   9  13.606  38.465  24.161
  103    H1'   DC   9           H1'       DC   9  15.224  36.874  24.078
  104    H41   DC   9           H41       DC   9  12.130  31.454  24.090
  105    H42   DC   9           H42       DC   9  11.510  31.664  25.720
  106    H5    DC   9           H5        DC   9  11.968  33.695  27.025
  107    H6    DC   9           H6        DC   9  13.273  35.810  26.968
  108    H5'    G  10           H5'        G  10  10.662  27.636  14.002
  109   H5''    G  10          H5''        G  10  12.269  27.147  13.456
  110    H4'    G  10           H4'        G  10  12.161  29.544  13.894
  111    H3'    G  10           H3'        G  10  13.949  27.956  15.676
  112    H2'    G  10           H2'        G  10  14.420  29.736  16.907
  113   HO2'    G  10          HO2'        G  10  15.188  31.310  15.428
  114    H1'    G  10           H1'        G  10  12.097  31.307  16.571
  115    H8     G  10           H8         G  10  11.815  27.971  17.829
  116    H1     G  10           H1         G  10  13.084  32.476  22.256
  117    H21    G  10           H21        G  10  13.703  34.318  21.184
  118    H22    G  10           H22        G  10  13.570  34.375  19.427
  119   HO5'    G  10          HO5'        G  10  10.891  26.477  15.770
  120    H5'    A  11           H5'        A  11  16.553  31.510  13.763
  121   H5''    A  11          H5''        A  11  18.205  30.895  13.886
  122    H4'    A  11           H4'        A  11  17.892  33.169  14.825
  123    H3'    A  11           H3'        A  11  18.806  31.080  16.791
  124    H2'    A  11           H2'        A  11  19.056  33.066  18.332
  125   HO2'    A  11          HO2'        A  11  19.623  34.382  16.342
  126    H1'    A  11           H1'        A  11  16.623  33.967  17.890
  127    H8     A  11           H8         A  11  16.127  30.427  17.388
  128    H61    A  11           H61        A  11  15.346  29.966  23.500
  129    H62    A  11           H62        A  11  15.484  29.056  21.983
  130    H2     A  11           H2         A  11  16.939  33.968  22.668
  131    H5'    G  12           H5'        G  12  21.237  34.591  17.623
  132   H5''    G  12          H5''        G  12  22.929  34.087  17.769
  133    H4'    G  12           H4'        G  12  22.188  35.259  19.827
  134    H3'    G  12           H3'        G  12  22.516  32.287  20.168
  135    H2'    G  12           H2'        G  12  22.380  32.605  22.471
  136   HO2'    G  12          HO2'        G  12  22.733  34.453  23.440
  137    H1'    G  12           H1'        G  12  20.148  34.257  22.145
  138    H8     G  12           H8         G  12  19.872  31.545  19.738
  139    H1     G  12           H1         G  12  18.493  29.639  25.703
  140    H21    G  12           H21        G  12  18.964  31.210  27.105
  141    H22    G  12           H22        G  12  19.512  32.784  26.512
  142    H5'    C  13           H5'        C  13  24.954  34.268  22.617
  143   H5''    C  13          H5''        C  13  26.522  33.579  22.994
  144    H4'    C  13           H4'        C  13  25.286  34.059  25.049
  145    H3'    C  13           H3'        C  13  25.658  31.133  24.404
  146    H2'    C  13           H2'        C  13  24.861  30.681  26.666
  147   HO2'    C  13          HO2'        C  13  25.872  32.701  27.527
  148    H1'    C  13           H1'        C  13  22.728  32.288  26.423
  149    H41    C  13           H41        C  13  20.544  26.784  24.342
  150    H42    C  13           H42        C  13  21.074  27.170  22.728
  151    H5     C  13           H5         C  13  22.619  28.925  22.243
  152    H6     C  13           H6         C  13  23.513  31.000  23.090
  153    H5'    A  14           H5'        A  14  27.239  31.686  27.963
  154   H5''    A  14          H5''        A  14  28.752  30.827  28.204
  155    H4'    A  14           H4'        A  14  27.108  30.191  29.882
  156    H3'    A  14           H3'        A  14  27.809  28.048  27.863
  157    H2'    A  14           H2'        A  14  26.624  26.553  29.351
  158   HO2'    A  14          HO2'        A  14  27.417  27.536  31.306
  159    H1'    A  14           H1'        A  14  24.497  28.217  29.634
  160    H8     A  14           H8         A  14  25.903  28.513  26.273
  161    H61    A  14           H61        A  14  21.902  23.874  24.851
  162    H62    A  14           H62        A  14  22.867  25.163  24.135
  163    H2     A  14           H2         A  14  22.332  24.015  29.118
  164    H5'    C  15           H5'        C  15  29.580  26.835  31.437
  165   H5''    C  15          H5''        C  15  30.973  25.789  31.182
  166    H4'    C  15           H4'        C  15  29.068  24.729  32.241
  167    H3'    C  15           H3'        C  15  29.845  23.438  29.665
  168    H2'    C  15           H2'        C  15  28.201  21.710  30.344
  169   HO2'    C  15          HO2'        C  15  28.939  22.211  32.686
  170    H1'    C  15           H1'        C  15  26.259  23.400  31.058
  171    H41    C  15           H41        C  15  24.957  22.907  24.982
  172    H42    C  15           H42        C  15  26.009  24.254  24.572
  173    H5     C  15           H5         C  15  27.622  25.118  26.164
  174    H6     C  15           H6         C  15  28.332  24.991  28.605
  175    H5'    C  16           H5'        C  16  29.559  20.379  32.492
  176   H5''    C  16          H5''        C  16  30.894  19.234  32.326
  177    H4'    C  16           H4'        C  16  28.790  18.070  31.954
  178    H3'    C  16           H3'        C  16  30.370  18.523  29.384
  179    H2'    C  16           H2'        C  16  28.895  17.005  28.380
  180   HO2'    C  16          HO2'        C  16  28.781  15.737  30.515
  181    H1'    C  16           H1'        C  16  26.666  18.115  29.483
  182    H41    C  16           H41        C  16  27.126  20.804  23.888
  183    H42    C  16           H42        C  16  28.258  22.015  24.466
  184    H5     C  16           H5         C  16  29.251  21.891  26.658
  185    H6     C  16           H6         C  16  29.185  20.693  28.805
  186    H5'    A  17           H5'        A  17  29.935  14.651  29.406
  187   H5''    A  17          H5''        A  17  31.413  13.771  29.002
  188    H4'    A  17           H4'        A  17  29.730  13.311  27.305
  189    H3'    A  17           H3'        A  17  32.048  15.017  26.490
  190    H2'    A  17           H2'        A  17  31.204  15.288  24.383
  191   HO2'    A  17          HO2'        A  17  30.692  13.185  23.770
  192    H1'    A  17           H1'        A  17  28.552  15.315  24.845
  193    H8     A  17           H8         A  17  30.906  17.252  26.989
  194    H61    A  17           H61        A  17  30.586  21.175  22.015
  195    H62    A  17           H62        A  17  31.262  21.185  23.659
  196    H2     A  17           H2         A  17  28.492  17.635  21.150
  197    H5'    U  18           H5'        U  18  31.253  11.436  23.534
  198   H5''    U  18          H5''        U  18  32.882  10.896  23.083
  199    H4'    U  18           H4'        U  18  31.462  11.453  21.067
  200    H3'    U  18           H3'        U  18  33.866  13.157  21.678
  201   HO3'    U  18          HO3'        U  18  34.906  11.709  20.306
  202    H2'    U  18           H2'        U  18  33.733  14.358  19.864
  203   HO2'    U  18          HO2'        U  18  32.350  12.133  18.798
  204    H1'    U  18           H1'        U  18  30.913  14.216  19.785
  205    H3     U  18           H3         U  18  31.996  18.594  19.477
  206    H5     U  18           H5         U  18  33.373  17.533  23.298
  207    H6     U  18           H6         U  18  32.714  15.208  22.812