*HEADER    CARBOHYDRATE                            22-JAN-14   2MK1              
*TITLE     SOLUTION STRUCTURE OF LACTODIFUCOTETRAOSE (LDFT) BETA ANOMER          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SUGAR (4-MER);                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    CARBOHYDRATE, GLYCOEPITOPE, OLIGOSACCHARIDE, 1,3-FUCOSYLATION, 1,2-   
*KEYWDS   2 FUCOSYLATION                                                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.SCHUBERT, F.H.-T.ALLAIN                                             
*REVDAT   1   04-FEB-15 2MK1    0                                                


#
#    4 0fA   H1      4 0fA  H2       2.32
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  62, r1= 1.30, r2= 1.80, r3= 2.32, r4= 2.82, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#    4 0fA   H1      4 0fA  H5       3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  48, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#    4 0fA   H4      4 0fA  H5       2.68
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  48, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18,  &end
#
#    4 0fA   H4      4 0fA  Q6       3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=  50,  51,  52,
 &end
#
#    4 0fA   H1      3 2LB  H2       3.02
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  42, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#    4 0fA   H1      3 2LB  H3       3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  38, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#    4 0fA   H5      3 2LB  H1       3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  24, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#    4 0fA   H5      3 2LB  H2       3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  42, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#    4 0fA   H5      2 WGB  H3       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  16, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#    4 0fA   H5      2 WGB  H5       2.69
 &rst
  ixpk= 0, nxpk= 0, iat=  48,   7, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,  &end
#
#    4 0fA   H5      2 WGB  H61      3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  48,   9, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#    4 0fA   Q6      2 WGB  H1       4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,   4, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1=  50,  51,  52,
 &end
#
#    4 0fA   Q6      2 WGB  H3       3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  16, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  50,  51,  52,
 &end
#
#    4 0fA   Q6      2 WGB  H5       4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,   7, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=  50,  51,  52,
 &end
#
#    4 0fA   Q6      2 WGB  H61      4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,   9, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=  50,  51,  52,
 &end
#
#    4 0fA   H1      5 0fA  Q6       4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=  71,  72,  73,
 &end
#
#    3 2LB   H1      3 2LB  H3       2.95
 &rst
  ixpk= 0, nxpk= 0, iat=  24,  38, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
#    3 2LB   H3      3 2LB  H5       2.65
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  27, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15,  &end
#
#    3 2LB   H1      2 WGB  H4       2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  24,  14, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    3 2LB   H1      2 WGB  H61      3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  24,   9, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#    3 2LB   H1      2 WGB  H62      2.70
 &rst
  ixpk= 0, nxpk= 0, iat=  24,  10, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    3 2LB   H2      5 0fA  H5       2.76
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  69, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,  &end
#
#    3 2LB   H2      5 0fA  Q6       3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=  71,  72,  73,
 &end
#
#    3 2LB   H62     5 0fA  H3       3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  79, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#    3 2LB   H61     5 0fA  H3       4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  79, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#    3 2LB   H62     5 0fA  H5       4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  69, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#    2 WGB   H1      2 WGB  H3       3.03
 &rst
  ixpk= 0, nxpk= 0, iat=   4,  16, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
#    2 WGB   H1      2 WGB  H5       2.50
 &rst
  ixpk= 0, nxpk= 0, iat=   4,   7, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    2 WGB   H2      2 WGB  H4       2.64
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  14, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,  &end
#
#    2 WGB   H3      2 WGB  H5       2.65
 &rst
  ixpk= 0, nxpk= 0, iat=  16,   7, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15,  &end
#
#    2 WGB   H5      2 WGB  H61      2.89
 &rst
  ixpk= 0, nxpk= 0, iat=   7,   9, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
#    2 WGB   H2      5 0fA  H1       3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  66, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#    2 WGB   H3      5 0fA  H1       2.73
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  66, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23,  &end
#
#    2 WGB   H3      5 0fA  H5       3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  69, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#    5 0fA   H1      5 0fA  H2       2.76
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  83, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,  &end
#
#    5 0fA   H1      5 0fA  H3       3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  79, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#    5 0fA   H1      5 0fA  H5       3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  69, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#    5 0fA   H1      5 0fA  Q6       4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=  71,  72,  73,
 &end
#
#    5 0fA   H3      5 0fA  H5       2.69
 &rst
  ixpk= 0, nxpk= 0, iat=  79,  69, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,  &end
#
#    5 0fA   H3      5 0fA  Q6       4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2=  71,  72,  73,
 &end
#
#    5 0fA   H4      5 0fA  H5       2.54
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  69, r1= 1.30, r2= 1.80, r3= 2.54, r4= 3.04,  &end
#
#    5 0fA   H4      5 0fA  Q6       3.21
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2=  71,  72,  73,
 &end
REMARK                                                              
ATOM      1 1HO  ROH     1      -6.186  -1.005  -1.587
ATOM      2  O1  ROH     1      -5.750  -1.729  -2.074
ATOM      3  C1  WGB     2      -4.360  -1.403  -2.187
ATOM      4  H1  WGB     2      -3.913  -1.384  -1.191
ATOM      5  O5  WGB     2      -4.235  -0.075  -2.792
ATOM      6  C5  WGB     2      -2.838   0.367  -3.001
ATOM      7  H5  WGB     2      -2.323   0.356  -2.039
ATOM      8  C6  WGB     2      -2.850   1.806  -3.538
ATOM      9 1H6  WGB     2      -1.833   2.172  -3.677
ATOM     10 2H6  WGB     2      -3.363   1.845  -4.500
ATOM     11  O6  WGB     2      -3.529   2.662  -2.596
ATOM     12  H6O WGB     2      -4.413   2.280  -2.428
ATOM     13  C4  WGB     2      -2.144  -0.622  -3.946
ATOM     14  H4  WGB     2      -2.631  -0.602  -4.923
ATOM     15  C3  WGB     2      -2.206  -2.046  -3.379
ATOM     16  H3  WGB     2      -1.620  -2.077  -2.458
ATOM     17  O3  WGB     2      -1.622  -2.969  -4.383
ATOM     18  C2  WGB     2      -3.658  -2.457  -3.077
ATOM     19  H2  WGB     2      -4.200  -2.547  -4.021
ATOM     20  O2  WGB     2      -3.671  -3.744  -2.397
ATOM     21  H2O WGB     2      -4.600  -3.950  -2.169
ATOM     22  O4  WGB     2      -0.727  -0.227  -4.066
ATOM     23  C1  2LB     3      -0.338   0.310  -5.378
ATOM     24  H1  2LB     3      -1.041   1.092  -5.667
ATOM     25  O5  2LB     3      -0.366  -0.763  -6.387
ATOM     26  C5  2LB     3       0.143  -0.395  -7.730
ATOM     27  H5  2LB     3      -0.453   0.437  -8.109
ATOM     28  C6  2LB     3      -0.013  -1.583  -8.692
ATOM     29 1H6  2LB     3       0.417  -1.335  -9.663
ATOM     30 2H6  2LB     3       0.504  -2.462  -8.305
ATOM     31  O6  2LB     3      -1.414  -1.893  -8.862
ATOM     32  H6O 2LB     3      -1.862  -1.114  -9.243
ATOM     33  C4  2LB     3       1.598   0.075  -7.598
ATOM     34  H4  2LB     3       1.975   0.375  -8.577
ATOM     35  O4  2LB     3       2.411  -1.013  -7.089
ATOM     36  H4O 2LB     3       3.328  -0.691  -6.987
ATOM     37  C3  2LB     3       1.668   1.263  -6.625
ATOM     38  H3  2LB     3       1.095   2.089  -7.047
ATOM     39  O3  2LB     3       3.054   1.690  -6.493
ATOM     40  H3O 2LB     3       3.384   1.991  -7.363
ATOM     41  C2  2LB     3       1.076   0.909  -5.249
ATOM     42  H2  2LB     3       1.719   0.183  -4.749
ATOM     43  O2  2LB     3       0.974   2.145  -4.435
ATOM     44  C1  0fA     4       2.057   2.281  -3.447
ATOM     45  H1  0fA     4       3.007   2.106  -3.940
ATOM     46  O5  0fA     4       1.897   1.265  -2.390
ATOM     47  C5  0fA     4       0.716   1.484  -1.532
ATOM     48  H5  0fA     4      -0.157   1.529  -2.179
ATOM     49  C6  0fA     4       0.554   0.273  -0.616
ATOM     50 1H6  0fA     4       0.390  -0.635  -1.196
ATOM     51 2H6  0fA     4      -0.303   0.394   0.047
ATOM     52 3H6  0fA     4       1.436   0.109   0.004
ATOM     53  C4  0fA     4       0.845   2.842  -0.816
ATOM     54  H4  0fA     4      -0.028   3.002  -0.181
ATOM     55  O4  0fA     4       2.045   2.855   0.009
ATOM     56  H4O 0fA     4       1.938   2.223   0.748
ATOM     57  C3  0fA     4       0.925   3.961  -1.876
ATOM     58  H3  0fA     4      -0.006   3.952  -2.447
ATOM     59  O3  0fA     4       1.033   5.263  -1.212
ATOM     60  H3O 0fA     4       0.283   5.373  -0.595
ATOM     61  C2  0fA     4       2.102   3.718  -2.851
ATOM     62  H2  0fA     4       3.047   3.824  -2.318
ATOM     63  O2  0fA     4       2.063   4.717  -3.925
ATOM     64  H2O 0fA     4       2.784   4.509  -4.554
TER   
ATOM     65  C1  0fA     5      -0.800  -4.052  -3.814
ATOM     66  H1  0fA     5      -1.366  -4.553  -3.035
ATOM     67  O5  0fA     5       0.441  -3.506  -3.222
ATOM     68  C5  0fA     5       1.418  -2.951  -4.192
ATOM     69  H5  0fA     5       0.949  -2.117  -4.706
ATOM     70  C6  0fA     5       2.606  -2.394  -3.412
ATOM     71 1H6  0fA     5       3.352  -1.967  -4.084
ATOM     72 2H6  0fA     5       3.098  -3.161  -2.813
ATOM     73 3H6  0fA     5       2.291  -1.602  -2.733
ATOM     74  C4  0fA     5       1.784  -4.006  -5.252
ATOM     75  H4  0fA     5       2.440  -3.556  -5.999
ATOM     76  O4  0fA     5       2.481  -5.121  -4.628
ATOM     77  H4O 0fA     5       2.652  -5.791  -5.322
ATOM     78  C3  0fA     5       0.504  -4.519  -5.934
ATOM     79  H3  0fA     5       0.011  -3.678  -6.420
ATOM     80  O3  0fA     5       0.859  -5.507  -6.949
ATOM     81  H3O 0fA     5       0.031  -5.903  -7.287
ATOM     82  C2  0fA     5      -0.479  -5.107  -4.904
ATOM     83  H2  0fA     5      -0.039  -5.988  -4.432
ATOM     84  O2  0fA     5      -1.705  -5.513  -5.593
ATOM     85  H2O 0fA     5      -2.179  -4.691  -5.833
TER   
END   

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H2   BGC   1           H2       BGC   1  -4.200  -2.547  -4.021
    2    H3   BGC   1           H3       BGC   1  -1.620  -2.077  -2.458
    3    H4   BGC   1           H4       BGC   1  -2.631  -0.602  -4.923
    4    H5   BGC   1           H5       BGC   1  -2.323   0.356  -2.039
    5   H6C1  BGC   1          H61       BGC   1  -1.833   2.172  -3.677
    6   H6C2  BGC   1          H62       BGC   1  -3.363   1.845  -4.500
    7    H1   BGC   1           H1       BGC   1  -3.913  -1.384  -1.191
    8    HA   BGC   1           HO1      BGC   1  -6.186  -1.005  -1.587
    9    HB   BGC   1           HO2      BGC   1  -4.600  -3.950  -2.169
   10    H6   BGC   1           HO6      BGC   1  -4.413   2.280  -2.428
   11    H1   GAL   2           H1       GAL   2  -1.041   1.092  -5.667
   12    H2   GAL   2           H2       GAL   2   1.719   0.183  -4.749
   13    H3   GAL   2           H3       GAL   2   1.095   2.089  -7.047
   14    H4   GAL   2           H4       GAL   2   1.975   0.375  -8.577
   15    H5   GAL   2           H5       GAL   2  -0.453   0.437  -8.109
   16    H61  GAL   2           H61      GAL   2   0.417  -1.335  -9.663
   17    H62  GAL   2           H62      GAL   2   0.504  -2.462  -8.305
   18    HO3  GAL   2           HO3      GAL   2   3.384   1.991  -7.363
   19    HO4  GAL   2           HO4      GAL   2   3.328  -0.691  -6.987
   20    HO6  GAL   2           HO6      GAL   2  -1.862  -1.114  -9.243
   21    H1   FUC   3           H1       FUC   3   3.007   2.106  -3.940
   22    H2   FUC   3           H2       FUC   3   3.047   3.824  -2.318
   23    H3   FUC   3           H3       FUC   3  -0.006   3.952  -2.447
   24    H4   FUC   3           H4       FUC   3  -0.028   3.002  -0.181
   25    H5   FUC   3           H5       FUC   3  -0.157   1.529  -2.179
   26    H61  FUC   3           H61      FUC   3   0.390  -0.635  -1.196
   27    H62  FUC   3           H62      FUC   3  -0.303   0.394   0.047
   28    H63  FUC   3           H63      FUC   3   1.436   0.109   0.004
   29    HO2  FUC   3           HO2      FUC   3   2.784   4.509  -4.554
   30    HO3  FUC   3           HO3      FUC   3   0.283   5.373  -0.595
   31    HO4  FUC   3           HO4      FUC   3   1.938   2.223   0.748
   32    H1   FUC   4           H1       FUC   4  -1.366  -4.553  -3.035
   33    H2   FUC   4           H2       FUC   4  -0.039  -5.988  -4.432
   34    H3   FUC   4           H3       FUC   4   0.011  -3.678  -6.420
   35    H4   FUC   4           H4       FUC   4   2.440  -3.556  -5.999
   36    H5   FUC   4           H5       FUC   4   0.949  -2.117  -4.706
   37    H61  FUC   4           H61      FUC   4   3.352  -1.967  -4.084
   38    H62  FUC   4           H62      FUC   4   3.098  -3.161  -2.813
   39    H63  FUC   4           H63      FUC   4   2.291  -1.602  -2.733
   40    HO2  FUC   4           HO2      FUC   4  -2.179  -4.691  -5.833
   41    HO3  FUC   4           HO3      FUC   4   0.031  -5.903  -7.287
   42    HO4  FUC   4           HO4      FUC   4   2.652  -5.791  -5.322
  Start of MODEL    2
    1    H2   BGC   1           H2       BGC   1  -4.224  -2.439  -3.979
    2    H3   BGC   1           H3       BGC   1  -1.613  -2.026  -2.451
    3    H4   BGC   1           H4       BGC   1  -2.635  -0.513  -4.889
    4    H5   BGC   1           H5       BGC   1  -2.272   0.419  -2.003
    5   H6C1  BGC   1          H61       BGC   1  -1.781   2.237  -3.636
    6   H6C2  BGC   1          H62       BGC   1  -3.328   1.939  -4.436
    7    H1   BGC   1           H1       BGC   1  -3.862  -1.308  -1.145
    8    HA   BGC   1           HO1      BGC   1  -6.180  -1.384  -2.810
    9    HB   BGC   1           HO2      BGC   1  -4.617  -3.854  -2.127
   10    H6   BGC   1           HO6      BGC   1  -4.337   2.372  -2.343
   11    H1   GAL   2           H1       GAL   2  -1.027   1.168  -5.636
   12    H2   GAL   2           H2       GAL   2   1.724   0.208  -4.751
   13    H3   GAL   2           H3       GAL   2   1.122   2.129  -7.040
   14    H4   GAL   2           H4       GAL   2   1.941   0.406  -8.594
   15    H5   GAL   2           H5       GAL   2  -0.479   0.547  -8.083
   16    H61  GAL   2           H61      GAL   2   0.351  -1.236  -9.670
   17    H62  GAL   2           H62      GAL   2   0.343  -2.387  -8.328
   18    HO3  GAL   2           HO3      GAL   2   3.612   0.912  -6.257
   19    HO4  GAL   2           HO4      GAL   2   3.287  -0.885  -7.365
   20    HO6  GAL   2           HO6      GAL   2  -1.642  -2.424  -9.532
   21    H1   FUC   3           H1       FUC   3   3.049   2.157  -3.947
   22    H2   FUC   3           H2       FUC   3   3.067   3.871  -2.319
   23    H3   FUC   3           H3       FUC   3   0.008   3.923  -2.410
   24    H4   FUC   3           H4       FUC   3   0.037   2.961  -0.147
   25    H5   FUC   3           H5       FUC   3  -0.097   1.514  -2.164
   26    H61  FUC   3           H61      FUC   3  -0.200   0.351   0.053
   27    H62  FUC   3           H62      FUC   3   1.541   0.086  -0.020
   28    H63  FUC   3           H63      FUC   3   0.484  -0.655  -1.214
   29    HO2  FUC   3           HO2      FUC   3   1.296   4.458  -4.494
   30    HO3  FUC   3           HO3      FUC   3   0.287   5.340  -0.554
   31    HO4  FUC   3           HO4      FUC   3   2.033   2.205   0.740
   32    H1   FUC   4           H1       FUC   4  -1.410  -4.501  -3.054
   33    H2   FUC   4           H2       FUC   4  -0.128  -5.945  -4.480
   34    H3   FUC   4           H3       FUC   4  -0.058  -3.618  -6.448
   35    H4   FUC   4           H4       FUC   4   2.379  -3.546  -6.050
   36    H5   FUC   4           H5       FUC   4   0.918  -2.093  -4.738
   37    H61  FUC   4           H61      FUC   4   2.294  -1.607  -2.782
   38    H62  FUC   4           H62      FUC   4   3.333  -1.985  -4.148
   39    H63  FUC   4           H63      FUC   4   3.075  -3.178  -2.879
   40    HO2  FUC   4           HO2      FUC   4  -2.254  -4.606  -5.863
   41    HO3  FUC   4           HO3      FUC   4   1.095  -6.263  -6.605
   42    HO4  FUC   4           HO4      FUC   4   2.813  -5.663  -5.391
  Start of MODEL    3
    1    H2   BGC   1           H2       BGC   1  -4.252  -2.506  -3.995
    2    H3   BGC   1           H3       BGC   1  -1.647  -2.050  -2.469
    3    H4   BGC   1           H4       BGC   1  -2.682  -0.569  -4.919
    4    H5   BGC   1           H5       BGC   1  -2.340   0.402  -2.045
    5   H6C1  BGC   1          H61       BGC   1  -1.869   2.206  -3.699
    6   H6C2  BGC   1          H62       BGC   1  -3.404   1.870  -4.507
    7    H1   BGC   1           H1       BGC   1  -3.908  -1.338  -1.173
    8    HA   BGC   1           HO1      BGC   1  -6.222  -1.462  -2.842
    9    HB   BGC   1           HO2      BGC   1  -4.633  -3.901  -2.124
   10    H6   BGC   1           HO6      BGC   1  -4.437   2.318  -2.426
   11    H1   GAL   2           H1       GAL   2  -1.079   1.127  -5.677
   12    H2   GAL   2           H2       GAL   2   1.686   0.124  -4.865
   13    H3   GAL   2           H3       GAL   2   0.979   2.059  -7.121
   14    H4   GAL   2           H4       GAL   2   1.810   0.342  -8.680
   15    H5   GAL   2           H5       GAL   2  -0.600   0.448  -8.131
   16    H61  GAL   2           H61      GAL   2   0.112  -1.332  -9.720
   17    H62  GAL   2           H62      GAL   2   0.321  -2.457  -8.370
   18    HO3  GAL   2           HO3      GAL   2   2.999   2.550  -6.239
   19    HO4  GAL   2           HO4      GAL   2   3.198  -0.743  -7.148
   20    HO6  GAL   2           HO6      GAL   2  -1.932  -2.019  -7.833
   21    H1   FUC   3           H1       FUC   3   3.048   1.866  -3.966
   22    H2   FUC   3           H2       FUC   3   3.222   3.561  -2.320
   23    H3   FUC   3           H3       FUC   3   0.206   4.022  -2.585
   24    H4   FUC   3           H4       FUC   3   0.007   3.116  -0.309
   25    H5   FUC   3           H5       FUC   3  -0.184   1.583  -2.241
   26    H61  FUC   3           H61      FUC   3  -0.442   0.526   0.011
   27    H62  FUC   3           H62      FUC   3   1.275   0.126   0.011
   28    H63  FUC   3           H63      FUC   3   0.203  -0.587  -1.186
   29    HO2  FUC   3           HO2      FUC   3   2.396   5.430  -3.525
   30    HO3  FUC   3           HO3      FUC   3   1.978   5.072  -0.596
   31    HO4  FUC   3           HO4      FUC   3   1.875   2.225   0.722
   32    H1   FUC   4           H1       FUC   4  -1.447  -4.541  -3.067
   33    H2   FUC   4           H2       FUC   4  -0.103  -5.974  -4.450
   34    H3   FUC   4           H3       FUC   4  -0.052  -3.662  -6.435
   35    H4   FUC   4           H4       FUC   4   2.391  -3.594  -6.006
   36    H5   FUC   4           H5       FUC   4   0.874  -2.134  -4.742
   37    H61  FUC   4           H61      FUC   4   3.025  -3.142  -2.831
   38    H62  FUC   4           H62      FUC   4   2.198  -1.594  -2.763
   39    H63  FUC   4           H63      FUC   4   3.270  -1.952  -4.109
   40    HO2  FUC   4           HO2      FUC   4  -1.469  -6.049  -6.396
   41    HO3  FUC   4           HO3      FUC   4   1.417  -5.127  -7.603
   42    HO4  FUC   4           HO4      FUC   4   3.270  -4.871  -4.316
  Start of MODEL    4
    1    H2   BGC   1           H2       BGC   1  -4.210  -2.502  -4.037
    2    H3   BGC   1           H3       BGC   1  -1.634  -2.047  -2.464
    3    H4   BGC   1           H4       BGC   1  -2.629  -0.563  -4.931
    4    H5   BGC   1           H5       BGC   1  -2.325   0.386  -2.042
    5   H6C1  BGC   1          H61       BGC   1  -1.817   2.203  -3.672
    6   H6C2  BGC   1          H62       BGC   1  -3.346   1.889  -4.502
    7    H1   BGC   1           H1       BGC   1  -3.929  -1.346  -1.204
    8    HA   BGC   1           HO1      BGC   1  -6.198  -0.953  -1.609
    9    HB   BGC   1           HO2      BGC   1  -4.624  -3.907  -2.189
   10    H6   BGC   1           HO6      BGC   1  -4.401   2.324  -2.432
   11    H1   GAL   2           H1       GAL   2  -1.025   1.128  -5.664
   12    H2   GAL   2           H2       GAL   2   1.723   0.196  -4.735
   13    H3   GAL   2           H3       GAL   2   1.137   2.114  -7.032
   14    H4   GAL   2           H4       GAL   2   1.991   0.395  -8.568
   15    H5   GAL   2           H5       GAL   2  -0.438   0.490  -8.099
   16    H61  GAL   2           H61      GAL   2   0.447  -1.291  -9.657
   17    H62  GAL   2           H62      GAL   2   0.438  -2.431  -8.306
   18    HO3  GAL   2           HO3      GAL   2   3.423   1.983  -7.337
   19    HO4  GAL   2           HO4      GAL   2   3.325  -0.700  -6.981
   20    HO6  GAL   2           HO6      GAL   2  -1.527  -2.511  -9.542
   21    H1   FUC   3           H1       FUC   3   3.022   2.131  -3.920
   22    H2   FUC   3           H2       FUC   3   3.030   3.844  -2.290
   23    H3   FUC   3           H3       FUC   3  -0.028   3.949  -2.438
   24    H4   FUC   3           H4       FUC   3  -0.061   2.973  -0.184
   25    H5   FUC   3           H5       FUC   3  -0.147   1.496  -2.176
   26    H61  FUC   3           H61      FUC   3   1.465   0.111   0.015
   27    H62  FUC   3           H62      FUC   3   0.436  -0.657  -1.186
   28    H63  FUC   3           H63      FUC   3  -0.278   0.362   0.053
   29    HO2  FUC   3           HO2      FUC   3   1.304   4.455  -4.494
   30    HO3  FUC   3           HO3      FUC   3   1.697   5.136  -0.481
   31    HO4  FUC   3           HO4      FUC   3   1.924   2.239   0.757
   32    H1   FUC   4           H1       FUC   4  -1.387  -4.522  -3.041
   33    H2   FUC   4           H2       FUC   4  -0.067  -5.964  -4.435
   34    H3   FUC   4           H3       FUC   4   0.003  -3.652  -6.422
   35    H4   FUC   4           H4       FUC   4   2.432  -3.548  -5.995
   36    H5   FUC   4           H5       FUC   4   0.947  -2.098  -4.707
   37    H61  FUC   4           H61      FUC   4   2.288  -1.592  -2.732
   38    H62  FUC   4           H62      FUC   4   3.351  -1.967  -4.080
   39    H63  FUC   4           H63      FUC   4   3.084  -3.156  -2.808
   40    HO2  FUC   4           HO2      FUC   4  -2.198  -4.652  -5.834
   41    HO3  FUC   4           HO3      FUC   4   0.009  -5.880  -7.287
   42    HO4  FUC   4           HO4      FUC   4   2.628  -5.783  -5.318
  Start of MODEL    5
    1    H2   BGC   1           H2       BGC   1  -4.229  -2.460  -4.045
    2    H3   BGC   1           H3       BGC   1  -1.633  -2.067  -2.489
    3    H4   BGC   1           H4       BGC   1  -2.630  -0.526  -4.919
    4    H5   BGC   1           H5       BGC   1  -2.288   0.367  -2.018
    5   H6C1  BGC   1          H61       BGC   1  -1.769   2.204  -3.624
    6   H6C2  BGC   1          H62       BGC   1  -3.313   1.929  -4.439
    7    H1   BGC   1           H1       BGC   1  -3.908  -1.357  -1.196
    8    HA   BGC   1           HO1      BGC   1  -6.175  -0.927  -1.573
    9    HB   BGC   1           HO2      BGC   1  -4.646  -3.890  -2.219
   10    H6   BGC   1           HO6      BGC   1  -4.335   2.345  -2.350
   11    H1   GAL   2           H1       GAL   2  -1.012   1.157  -5.635
   12    H2   GAL   2           H2       GAL   2   1.730   0.181  -4.738
   13    H3   GAL   2           H3       GAL   2   1.153   2.126  -7.014
   14    H4   GAL   2           H4       GAL   2   1.981   0.416  -8.578
   15    H5   GAL   2           H5       GAL   2  -0.443   0.560  -8.086
   16    H61  GAL   2           H61      GAL   2   0.394  -1.210  -9.684
   17    H62  GAL   2           H62      GAL   2   0.370  -2.374  -8.354
   18    HO3  GAL   2           HO3      GAL   2   3.631   0.893  -6.223
   19    HO4  GAL   2           HO4      GAL   2   3.311  -0.893  -7.351
   20    HO6  GAL   2           HO6      GAL   2  -1.605  -2.392  -9.575
   21    H1   FUC   3           H1       FUC   3   3.054   2.118  -3.908
   22    H2   FUC   3           H2       FUC   3   3.064   3.811  -2.256
   23    H3   FUC   3           H3       FUC   3   0.010   3.925  -2.403
   24    H4   FUC   3           H4       FUC   3  -0.053   2.908  -0.181
   25    H5   FUC   3           H5       FUC   3  -0.110   1.445  -2.166
   26    H61  FUC   3           H61      FUC   3  -0.232   0.298   0.055
   27    H62  FUC   3           H62      FUC   3   1.514   0.069   0.023
   28    H63  FUC   3           H63      FUC   3   0.499  -0.709  -1.184
   29    HO2  FUC   3           HO2      FUC   3   1.339   4.441  -4.456
   30    HO3  FUC   3           HO3      FUC   3   0.235   5.349  -0.603
   31    HO4  FUC   3           HO4      FUC   3   2.077   3.701   0.460
   32    H1   FUC   4           H1       FUC   4  -1.430  -4.536  -3.115
   33    H2   FUC   4           H2       FUC   4  -0.139  -5.970  -4.543
   34    H3   FUC   4           H3       FUC   4  -0.045  -3.623  -6.488
   35    H4   FUC   4           H4       FUC   4   2.388  -3.562  -6.067
   36    H5   FUC   4           H5       FUC   4   0.918  -2.118  -4.755
   37    H61  FUC   4           H61      FUC   4   2.279  -1.653  -2.783
   38    H62  FUC   4           H62      FUC   4   3.329  -2.022  -4.142
   39    H63  FUC   4           H63      FUC   4   3.057  -3.226  -2.886
   40    HO2  FUC   4           HO2      FUC   4  -2.250  -4.612  -5.932
   41    HO3  FUC   4           HO3      FUC   4   1.102  -6.270  -6.660
   42    HO4  FUC   4           HO4      FUC   4   2.811  -5.686  -5.425
  Start of MODEL    6
    1    H2   BGC   1           H2       BGC   1  -4.207  -2.546  -4.080
    2    H3   BGC   1           H3       BGC   1  -1.646  -2.076  -2.484
    3    H4   BGC   1           H4       BGC   1  -2.647  -0.583  -4.942
    4    H5   BGC   1           H5       BGC   1  -2.365   0.346  -2.046
    5   H6C1  BGC   1          H61       BGC   1  -1.842   2.152  -3.706
    6   H6C2  BGC   1          H62       BGC   1  -3.402   1.872  -4.486
    7    H1   BGC   1           H1       BGC   1  -3.944  -1.408  -1.237
    8    HA   BGC   1           HO1      BGC   1  -6.215  -1.531  -2.963
    9    HB   BGC   1           HO2      BGC   1  -4.616  -3.968  -2.236
   10    H6   BGC   1           HO6      BGC   1  -3.531   3.589  -2.945
   11    H1   GAL   2           H1       GAL   2  -1.066   1.123  -5.664
   12    H2   GAL   2           H2       GAL   2   1.692   0.196  -4.758
   13    H3   GAL   2           H3       GAL   2   1.094   2.109  -7.056
   14    H4   GAL   2           H4       GAL   2   1.942   0.384  -8.591
   15    H5   GAL   2           H5       GAL   2  -0.485   0.474  -8.116
   16    H61  GAL   2           H61      GAL   2   0.299  -1.302  -9.685
   17    H62  GAL   2           H62      GAL   2   0.459  -2.426  -8.329
   18    HO3  GAL   2           HO3      GAL   2   3.377   1.978  -7.374
   19    HO4  GAL   2           HO4      GAL   2   3.285  -0.702  -7.005
   20    HO6  GAL   2           HO6      GAL   2  -1.815  -1.995  -7.877
   21    H1   FUC   3           H1       FUC   3   3.000   2.139  -3.964
   22    H2   FUC   3           H2       FUC   3   3.024   3.809  -2.287
   23    H3   FUC   3           H3       FUC   3  -0.029   3.955  -2.481
   24    H4   FUC   3           H4       FUC   3  -0.084   2.985  -0.224
   25    H5   FUC   3           H5       FUC   3  -0.152   1.489  -2.194
   26    H61  FUC   3           H61      FUC   3   0.452  -0.654  -1.199
   27    H62  FUC   3           H62      FUC   3  -0.268   0.365   0.038
   28    H63  FUC   3           H63      FUC   3   1.479   0.128  -0.004
   29    HO2  FUC   3           HO2      FUC   3   1.975   5.608  -3.420
   30    HO3  FUC   3           HO3      FUC   3   1.669   5.141  -0.501
   31    HO4  FUC   3           HO4      FUC   3   1.890   2.265   0.747
   32    H1   FUC   4           H1       FUC   4  -1.366  -4.521  -3.055
   33    H2   FUC   4           H2       FUC   4  -0.027  -5.973  -4.420
   34    H3   FUC   4           H3       FUC   4  -0.012  -3.709  -6.462
   35    H4   FUC   4           H4       FUC   4   2.418  -3.561  -6.056
   36    H5   FUC   4           H5       FUC   4   0.934  -2.112  -4.768
   37    H61  FUC   4           H61      FUC   4   2.290  -1.570  -2.811
   38    H62  FUC   4           H62      FUC   4   3.343  -1.949  -4.165
   39    H63  FUC   4           H63      FUC   4   3.100  -3.127  -2.877
   40    HO2  FUC   4           HO2      FUC   4  -2.327  -5.872  -4.911
   41    HO3  FUC   4           HO3      FUC   4   0.014  -5.949  -7.282
   42    HO4  FUC   4           HO4      FUC   4   2.648  -5.785  -5.352
  Start of MODEL    7
    1    H2   BGC   1           H2       BGC   1  -4.275  -2.455  -4.046
    2    H3   BGC   1           H3       BGC   1  -1.676  -2.062  -2.498
    3    H4   BGC   1           H4       BGC   1  -2.689  -0.502  -4.908
    4    H5   BGC   1           H5       BGC   1  -2.348   0.371  -2.002
    5   H6C1  BGC   1          H61       BGC   1  -1.840   2.224  -3.591
    6   H6C2  BGC   1          H62       BGC   1  -3.380   1.944  -4.414
    7    H1   BGC   1           H1       BGC   1  -3.960  -1.361  -1.192
    8    HA   BGC   1           HO1      BGC   1  -6.242  -1.469  -2.912
    9    HB   BGC   1           HO2      BGC   1  -3.463  -3.631  -1.536
   10    H6   BGC   1           HO6      BGC   1  -4.411   2.332  -2.323
   11    H1   GAL   2           H1       GAL   2  -1.074   1.194  -5.614
   12    H2   GAL   2           H2       GAL   2   1.672   0.197  -4.753
   13    H3   GAL   2           H3       GAL   2   1.077   2.182  -6.993
   14    H4   GAL   2           H4       GAL   2   1.896   0.489  -8.580
   15    H5   GAL   2           H5       GAL   2  -0.532   0.614  -8.069
   16    H61  GAL   2           H61      GAL   2   0.177  -1.118  -9.716
   17    H62  GAL   2           H62      GAL   2   0.333  -2.296  -8.407
   18    HO3  GAL   2           HO3      GAL   2   3.552   0.874  -6.447
   19    HO4  GAL   2           HO4      GAL   2   2.626  -1.477  -7.881
   20    HO6  GAL   2           HO6      GAL   2  -1.919  -1.826  -7.894
   21    H1   FUC   3           H1       FUC   3   3.010   2.076  -3.900
   22    H2   FUC   3           H2       FUC   3   3.083   3.748  -2.227
   23    H3   FUC   3           H3       FUC   3   0.030   3.903  -2.375
   24    H4   FUC   3           H4       FUC   3   0.010   2.950  -0.102
   25    H5   FUC   3           H5       FUC   3  -0.159   1.510  -2.124
   26    H61  FUC   3           H61      FUC   3   1.436   0.028   0.016
   27    H62  FUC   3           H62      FUC   3   0.362  -0.678  -1.184
   28    H63  FUC   3           H63      FUC   3  -0.297   0.341   0.086
   29    HO2  FUC   3           HO2      FUC   3   2.822   4.519  -4.440
   30    HO3  FUC   3           HO3      FUC   3   1.223   5.882  -1.833
   31    HO4  FUC   3           HO4      FUC   3   1.970   2.135   0.803
   32    H1   FUC   4           H1       FUC   4  -1.489  -4.542  -3.174
   33    H2   FUC   4           H2       FUC   4  -0.144  -5.933  -4.596
   34    H3   FUC   4           H3       FUC   4  -0.092  -3.571  -6.524
   35    H4   FUC   4           H4       FUC   4   2.347  -3.500  -6.082
   36    H5   FUC   4           H5       FUC   4   0.852  -2.085  -4.751
   37    H61  FUC   4           H61      FUC   4   3.254  -1.965  -4.118
   38    H62  FUC   4           H62      FUC   4   2.988  -3.191  -2.881
   39    H63  FUC   4           H63      FUC   4   2.188  -1.632  -2.763
   40    HO2  FUC   4           HO2      FUC   4  -1.512  -5.953  -6.544
   41    HO3  FUC   4           HO3      FUC   4   1.380  -6.029  -6.717
   42    HO4  FUC   4           HO4      FUC   4   3.221  -4.858  -4.441
  Start of MODEL    8
    1    H2   BGC   1           H2       BGC   1  -4.217  -2.497  -4.131
    2    H3   BGC   1           H3       BGC   1  -1.661  -2.054  -2.520
    3    H4   BGC   1           H4       BGC   1  -2.633  -0.548  -4.984
    4    H5   BGC   1           H5       BGC   1  -2.353   0.368  -2.083
    5   H6C1  BGC   1          H61       BGC   1  -1.829   2.206  -3.685
    6   H6C2  BGC   1          H62       BGC   1  -3.346   1.897  -4.540
    7    H1   BGC   1           H1       BGC   1  -3.965  -1.376  -1.282
    8    HA   BGC   1           HO1      BGC   1  -6.230  -0.978  -1.703
    9    HB   BGC   1           HO2      BGC   1  -4.650  -3.923  -2.304
   10    H6   BGC   1           HO6      BGC   1  -4.431   2.309  -2.480
   11    H1   GAL   2           H1       GAL   2  -1.022   1.138  -5.701
   12    H2   GAL   2           H2       GAL   2   1.715   0.190  -4.761
   13    H3   GAL   2           H3       GAL   2   1.158   2.102  -7.071
   14    H4   GAL   2           H4       GAL   2   2.006   0.367  -8.594
   15    H5   GAL   2           H5       GAL   2  -0.424   0.479  -8.142
   16    H61  GAL   2           H61      GAL   2   0.358  -1.303  -9.703
   17    H62  GAL   2           H62      GAL   2   0.498  -2.430  -8.345
   18    HO3  GAL   2           HO3      GAL   2   3.443   1.950  -7.365
   19    HO4  GAL   2           HO4      GAL   2   3.323  -0.726  -6.991
   20    HO6  GAL   2           HO6      GAL   2  -1.777  -1.978  -7.913
   21    H1   FUC   3           H1       FUC   3   3.029   2.135  -3.966
   22    H2   FUC   3           H2       FUC   3   3.045   3.811  -2.292
   23    H3   FUC   3           H3       FUC   3  -0.005   3.964  -2.513
   24    H4   FUC   3           H4       FUC   3  -0.082   3.002  -0.254
   25    H5   FUC   3           H5       FUC   3  -0.137   1.498  -2.219
   26    H61  FUC   3           H61      FUC   3   1.474   0.141  -0.011
   27    H62  FUC   3           H62      FUC   3   0.455  -0.641  -1.210
   28    H63  FUC   3           H63      FUC   3  -0.272   0.384   0.018
   29    HO2  FUC   3           HO2      FUC   3   2.008   5.608  -3.442
   30    HO3  FUC   3           HO3      FUC   3   1.678   5.152  -0.525
   31    HO4  FUC   3           HO4      FUC   3   1.883   2.281   0.736
   32    H1   FUC   4           H1       FUC   4  -1.399  -4.501  -3.088
   33    H2   FUC   4           H2       FUC   4  -0.059  -5.965  -4.439
   34    H3   FUC   4           H3       FUC   4  -0.004  -3.704  -6.482
   35    H4   FUC   4           H4       FUC   4   2.422  -3.578  -6.053
   36    H5   FUC   4           H5       FUC   4   0.939  -2.113  -4.780
   37    H61  FUC   4           H61      FUC   4   2.279  -1.579  -2.813
   38    H62  FUC   4           H62      FUC   4   3.342  -1.972  -4.155
   39    H63  FUC   4           H63      FUC   4   3.077  -3.145  -2.867
   40    HO2  FUC   4           HO2      FUC   4  -2.356  -5.843  -4.952
   41    HO3  FUC   4           HO3      FUC   4   0.010  -5.945  -7.300
   42    HO4  FUC   4           HO4      FUC   4   2.627  -5.804  -5.343
  Start of MODEL    9
    1    H2   BGC   1           H2       BGC   1  -4.227  -2.477  -3.997
    2    H3   BGC   1           H3       BGC   1  -1.638  -2.008  -2.450
    3    H4   BGC   1           H4       BGC   1  -2.655  -0.538  -4.915
    4    H5   BGC   1           H5       BGC   1  -2.336   0.439  -2.040
    5   H6C1  BGC   1          H61       BGC   1  -1.849   2.241  -3.692
    6   H6C2  BGC   1          H62       BGC   1  -3.379   1.906  -4.512
    7    H1   BGC   1           H1       BGC   1  -3.914  -1.295  -1.177
    8    HA   BGC   1           HO1      BGC   1  -6.210  -1.428  -2.870
    9    HB   BGC   1           HO2      BGC   1  -4.625  -3.862  -2.124
   10    H6   BGC   1           HO6      BGC   1  -4.427   2.357  -2.441
   11    H1   GAL   2           H1       GAL   2  -1.052   1.154  -5.671
   12    H2   GAL   2           H2       GAL   2   1.711   0.166  -4.835
   13    H3   GAL   2           H3       GAL   2   1.012   2.090  -7.102
   14    H4   GAL   2           H4       GAL   2   1.853   0.372  -8.653
   15    H5   GAL   2           H5       GAL   2  -0.560   0.461  -8.118
   16    H61  GAL   2           H61      GAL   2   0.173  -1.324  -9.691
   17    H62  GAL   2           H62      GAL   2   0.381  -2.439  -8.334
   18    HO3  GAL   2           HO3      GAL   2   3.028   2.592  -6.222
   19    HO4  GAL   2           HO4      GAL   2   3.241  -0.699  -7.108
   20    HO6  GAL   2           HO6      GAL   2  -1.880  -2.006  -7.812
   21    H1   FUC   3           H1       FUC   3   3.058   1.945  -3.933
   22    H2   FUC   3           H2       FUC   3   3.188   3.660  -2.314
   23    H3   FUC   3           H3       FUC   3   0.150   4.011  -2.495
   24    H4   FUC   3           H4       FUC   3   0.018   3.056  -0.235
   25    H5   FUC   3           H5       FUC   3  -0.172   1.577  -2.218
   26    H61  FUC   3           H61      FUC   3   0.245  -0.613  -1.213
   27    H62  FUC   3           H62      FUC   3  -0.411   0.463   0.011
   28    H63  FUC   3           H63      FUC   3   1.310   0.086  -0.003
   29    HO2  FUC   3           HO2      FUC   3   1.506   4.435  -4.507
   30    HO3  FUC   3           HO3      FUC   3   1.945   5.069  -0.526
   31    HO4  FUC   3           HO4      FUC   3   1.928   2.171   0.730
   32    H1   FUC   4           H1       FUC   4  -1.427  -4.496  -3.027
   33    H2   FUC   4           H2       FUC   4  -0.061  -5.936  -4.384
   34    H3   FUC   4           H3       FUC   4  -0.039  -3.666  -6.416
   35    H4   FUC   4           H4       FUC   4   2.388  -3.522  -5.985
   36    H5   FUC   4           H5       FUC   4   0.904  -2.085  -4.687
   37    H61  FUC   4           H61      FUC   4   3.059  -3.139  -2.804
   38    H62  FUC   4           H62      FUC   4   2.246  -1.586  -2.703
   39    H63  FUC   4           H63      FUC   4   3.303  -1.931  -4.063
   40    HO2  FUC   4           HO2      FUC   4  -1.428  -6.065  -6.320
   41    HO3  FUC   4           HO3      FUC   4   1.371  -5.101  -7.603
   42    HO4  FUC   4           HO4      FUC   4   2.606  -5.763  -5.302
  Start of MODEL   10
    1    H2   BGC   1           H2       BGC   1  -4.210  -2.533  -4.065
    2    H3   BGC   1           H3       BGC   1  -1.652  -2.035  -2.474
    3    H4   BGC   1           H4       BGC   1  -2.649  -0.562  -4.945
    4    H5   BGC   1           H5       BGC   1  -2.409   0.407  -2.059
    5   H6C1  BGC   1          H61       BGC   1  -1.899   2.218  -3.682
    6   H6C2  BGC   1          H62       BGC   1  -3.389   1.867  -4.562
    7    H1   BGC   1           H1       BGC   1  -3.966  -1.355  -1.237
    8    HA   BGC   1           HO1      BGC   1  -6.231  -1.524  -2.968
    9    HB   BGC   1           HO2      BGC   1  -4.618  -3.930  -2.202
   10    H6   BGC   1           HO6      BGC   1  -3.247   2.679  -1.796
   11    H1   GAL   2           H1       GAL   2  -1.040   1.165  -5.659
   12    H2   GAL   2           H2       GAL   2   1.713   0.163  -4.802
   13    H3   GAL   2           H3       GAL   2   1.022   2.124  -7.041
   14    H4   GAL   2           H4       GAL   2   1.894   0.437  -8.607
   15    H5   GAL   2           H5       GAL   2  -0.522   0.487  -8.101
   16    H61  GAL   2           H61      GAL   2   0.249  -1.279  -9.678
   17    H62  GAL   2           H62      GAL   2   0.456  -2.401  -8.325
   18    HO3  GAL   2           HO3      GAL   2   3.024   2.634  -6.136
   19    HO4  GAL   2           HO4      GAL   2   3.282  -0.638  -7.065
   20    HO6  GAL   2           HO6      GAL   2  -1.816  -1.996  -7.824
   21    H1   FUC   3           H1       FUC   3   3.059   1.916  -3.863
   22    H2   FUC   3           H2       FUC   3   3.190   3.591  -2.199
   23    H3   FUC   3           H3       FUC   3   0.158   3.949  -2.397
   24    H4   FUC   3           H4       FUC   3  -0.014   2.956  -0.169
   25    H5   FUC   3           H5       FUC   3  -0.178   1.504  -2.160
   26    H61  FUC   3           H61      FUC   3   0.261  -0.700  -1.183
   27    H62  FUC   3           H62      FUC   3  -0.413   0.355   0.049
   28    H63  FUC   3           H63      FUC   3   1.312  -0.002   0.042
   29    HO2  FUC   3           HO2      FUC   3   1.533   4.412  -4.392
   30    HO3  FUC   3           HO3      FUC   3   1.481   5.820  -1.778
   31    HO4  FUC   3           HO4      FUC   3   2.157   3.566   0.501
   32    H1   FUC   4           H1       FUC   4  -1.413  -4.514  -3.068
   33    H2   FUC   4           H2       FUC   4  -0.035  -5.940  -4.430
   34    H3   FUC   4           H3       FUC   4  -0.030  -3.644  -6.441
   35    H4   FUC   4           H4       FUC   4   2.393  -3.500  -6.022
   36    H5   FUC   4           H5       FUC   4   0.921  -2.082  -4.694
   37    H61  FUC   4           H61      FUC   4   3.320  -1.944  -4.073
   38    H62  FUC   4           H62      FUC   4   3.077  -3.171  -2.833
   39    H63  FUC   4           H63      FUC   4   2.267  -1.618  -2.706
   40    HO2  FUC   4           HO2      FUC   4  -1.476  -6.308  -6.147
   41    HO3  FUC   4           HO3      FUC   4   0.049  -5.674  -7.518
   42    HO4  FUC   4           HO4      FUC   4   2.621  -5.745  -5.380
  Start of MODEL   11
    1    H2   BGC   1           H2       BGC   1  -4.280  -2.436  -4.153
    2    H3   BGC   1           H3       BGC   1  -1.758  -2.064  -2.461
    3    H4   BGC   1           H4       BGC   1  -2.657  -0.532  -4.939
    4    H5   BGC   1           H5       BGC   1  -2.417   0.369  -2.031
    5   H6C1  BGC   1          H61       BGC   1  -1.848   2.200  -3.611
    6   H6C2  BGC   1          H62       BGC   1  -3.342   1.911  -4.507
    7    H1   BGC   1           H1       BGC   1  -4.028  -1.396  -1.273
    8    HA   BGC   1           HO1      BGC   1  -5.929  -2.628  -1.896
    9    HB   BGC   1           HO2      BGC   1  -3.680  -4.398  -3.262
   10    H6   BGC   1           HO6      BGC   1  -3.204   2.646  -1.720
   11    H1   GAL   2           H1       GAL   2  -1.029   1.146  -5.623
   12    H2   GAL   2           H2       GAL   2   1.696   0.151  -4.696
   13    H3   GAL   2           H3       GAL   2   1.139   2.093  -6.980
   14    H4   GAL   2           H4       GAL   2   1.975   0.370  -8.523
   15    H5   GAL   2           H5       GAL   2  -0.451   0.488  -8.069
   16    H61  GAL   2           H61      GAL   2   0.385  -1.302  -9.626
   17    H62  GAL   2           H62      GAL   2   0.428  -2.435  -8.271
   18    HO3  GAL   2           HO3      GAL   2   3.423   1.936  -7.287
   19    HO4  GAL   2           HO4      GAL   2   3.296  -0.745  -6.941
   20    HO6  GAL   2           HO6      GAL   2  -1.891  -1.018  -9.224
   21    H1   FUC   3           H1       FUC   3   3.042   2.055  -3.877
   22    H2   FUC   3           H2       FUC   3   3.087   3.746  -2.220
   23    H3   FUC   3           H3       FUC   3   0.036   3.902  -2.380
   24    H4   FUC   3           H4       FUC   3  -0.045   2.919  -0.146
   25    H5   FUC   3           H5       FUC   3  -0.130   1.440  -2.123
   26    H61  FUC   3           H61      FUC   3   0.451  -0.717  -1.131
   27    H62  FUC   3           H62      FUC   3  -0.261   0.305   0.105
   28    H63  FUC   3           H63      FUC   3   1.481   0.052   0.069
   29    HO2  FUC   3           HO2      FUC   3   1.389   4.409  -4.427
   30    HO3  FUC   3           HO3      FUC   3   1.242   5.861  -1.793
   31    HO4  FUC   3           HO4      FUC   3   2.089   3.679   0.494
   32    H1   FUC   4           H1       FUC   4  -1.415  -4.481  -3.002
   33    H2   FUC   4           H2       FUC   4  -0.105  -5.958  -4.364
   34    H3   FUC   4           H3       FUC   4  -0.035  -3.694  -6.406
   35    H4   FUC   4           H4       FUC   4   2.397  -3.591  -5.987
   36    H5   FUC   4           H5       FUC   4   0.927  -2.101  -4.730
   37    H61  FUC   4           H61      FUC   4   3.054  -3.142  -2.809
   38    H62  FUC   4           H62      FUC   4   2.272  -1.571  -2.758
   39    H63  FUC   4           H63      FUC   4   3.331  -1.977  -4.101
   40    HO2  FUC   4           HO2      FUC   4  -2.212  -4.677  -5.835
   41    HO3  FUC   4           HO3      FUC   4  -0.038  -5.940  -7.224
   42    HO4  FUC   4           HO4      FUC   4   2.585  -5.811  -5.257
  Start of MODEL   12
    1    H2   BGC   1           H2       BGC   1  -4.195  -2.522  -4.051
    2    H3   BGC   1           H3       BGC   1  -1.614  -2.045  -2.488
    3    H4   BGC   1           H4       BGC   1  -2.637  -0.570  -4.949
    4    H5   BGC   1           H5       BGC   1  -2.332   0.394  -2.068
    5   H6C1  BGC   1          H61       BGC   1  -1.867   2.210  -3.710
    6   H6C2  BGC   1          H62       BGC   1  -3.391   1.860  -4.534
    7    H1   BGC   1           H1       BGC   1  -3.888  -1.371  -1.218
    8    HA   BGC   1           HO1      BGC   1  -6.187  -1.509  -2.904
    9    HB   BGC   1           HO2      BGC   1  -4.581  -3.937  -2.196
   10    H6   BGC   1           HO6      BGC   1  -4.449   2.287  -2.461
   11    H1   GAL   2           H1       GAL   2  -1.053   1.138  -5.694
   12    H2   GAL   2           H2       GAL   2   1.723   0.180  -4.862
   13    H3   GAL   2           H3       GAL   2   0.984   2.112  -7.112
   14    H4   GAL   2           H4       GAL   2   1.870   0.421  -8.671
   15    H5   GAL   2           H5       GAL   2  -0.544   0.455  -8.150
   16    H61  GAL   2           H61      GAL   2   0.241  -1.319  -9.715
   17    H62  GAL   2           H62      GAL   2   0.455  -2.428  -8.354
   18    HO3  GAL   2           HO3      GAL   2   2.984   2.652  -6.212
   19    HO4  GAL   2           HO4      GAL   2   3.279  -0.627  -7.132
   20    HO6  GAL   2           HO6      GAL   2  -1.817  -2.036  -7.854
   21    H1   FUC   3           H1       FUC   3   3.049   1.939  -3.946
   22    H2   FUC   3           H2       FUC   3   3.189   3.620  -2.283
   23    H3   FUC   3           H3       FUC   3   0.166   4.031  -2.555
   24    H4   FUC   3           H4       FUC   3  -0.026   3.099  -0.287
   25    H5   FUC   3           H5       FUC   3  -0.183   1.583  -2.236
   26    H61  FUC   3           H61      FUC   3   1.290   0.129   0.008
   27    H62  FUC   3           H62      FUC   3   0.239  -0.591  -1.202
   28    H63  FUC   3           H63      FUC   3  -0.433   0.497   0.002
   29    HO2  FUC   3           HO2      FUC   3   2.333   5.485  -3.474
   30    HO3  FUC   3           HO3      FUC   3   1.913   5.092  -0.549
   31    HO4  FUC   3           HO4      FUC   3   1.854   2.230   0.741
   32    H1   FUC   4           H1       FUC   4  -1.353  -4.506  -3.055
   33    H2   FUC   4           H2       FUC   4  -0.011  -5.954  -4.427
   34    H3   FUC   4           H3       FUC   4  -0.014  -3.688  -6.465
   35    H4   FUC   4           H4       FUC   4   2.415  -3.529  -6.072
   36    H5   FUC   4           H5       FUC   4   0.939  -2.090  -4.767
   37    H61  FUC   4           H61      FUC   4   3.121  -3.114  -2.898
   38    H62  FUC   4           H62      FUC   4   2.299  -1.565  -2.804
   39    H63  FUC   4           H63      FUC   4   3.344  -1.917  -4.171
   40    HO2  FUC   4           HO2      FUC   4  -2.314  -5.864  -4.907
   41    HO3  FUC   4           HO3      FUC   4   0.015  -5.925  -7.289
   42    HO4  FUC   4           HO4      FUC   4   2.659  -5.757  -5.378
  Start of MODEL   13
    1    H2   BGC   1           H2       BGC   1  -4.272  -2.440  -4.085
    2    H3   BGC   1           H3       BGC   1  -1.677  -2.088  -2.518
    3    H4   BGC   1           H4       BGC   1  -2.659  -0.500  -4.924
    4    H5   BGC   1           H5       BGC   1  -2.318   0.343  -2.008
    5   H6C1  BGC   1          H61       BGC   1  -1.777   2.203  -3.579
    6   H6C2  BGC   1          H62       BGC   1  -3.316   1.951  -4.410
    7    H1   BGC   1           H1       BGC   1  -3.957  -1.377  -1.220
    8    HA   BGC   1           HO1      BGC   1  -6.218  -0.925  -1.604
    9    HB   BGC   1           HO2      BGC   1  -4.707  -3.889  -2.276
   10    H6   BGC   1           HO6      BGC   1  -4.352   2.340  -2.321
   11    H1   GAL   2           H1       GAL   2  -1.020   1.179  -5.616
   12    H2   GAL   2           H2       GAL   2   1.707   0.148  -4.737
   13    H3   GAL   2           H3       GAL   2   1.162   2.136  -6.982
   14    H4   GAL   2           H4       GAL   2   1.965   0.430  -8.563
   15    H5   GAL   2           H5       GAL   2  -0.459   0.585  -8.083
   16    H61  GAL   2           H61      GAL   2   0.268  -1.163  -9.708
   17    H62  GAL   2           H62      GAL   2   0.397  -2.335  -8.389
   18    HO3  GAL   2           HO3      GAL   2   3.443   1.952  -7.302
   19    HO4  GAL   2           HO4      GAL   2   3.273  -0.738  -7.007
   20    HO6  GAL   2           HO6      GAL   2  -1.863  -1.850  -7.918
   21    H1   FUC   3           H1       FUC   3   3.064   2.026  -3.877
   22    H2   FUC   3           H2       FUC   3   3.117   3.692  -2.196
   23    H3   FUC   3           H3       FUC   3   0.067   3.876  -2.366
   24    H4   FUC   3           H4       FUC   3  -0.028   2.867  -0.144
   25    H5   FUC   3           H5       FUC   3  -0.117   1.413  -2.134
   26    H61  FUC   3           H61      FUC   3   1.479  -0.013   0.043
   27    H62  FUC   3           H62      FUC   3   0.446  -0.761  -1.169
   28    H63  FUC   3           H63      FUC   3  -0.262   0.253   0.079
   29    HO2  FUC   3           HO2      FUC   3   1.434   4.401  -4.400
   30    HO3  FUC   3           HO3      FUC   3   1.287   5.818  -1.751
   31    HO4  FUC   3           HO4      FUC   3   2.109   3.605   0.512
   32    H1   FUC   4           H1       FUC   4  -1.510  -4.548  -3.181
   33    H2   FUC   4           H2       FUC   4  -0.188  -5.974  -4.592
   34    H3   FUC   4           H3       FUC   4  -0.115  -3.634  -6.547
   35    H4   FUC   4           H4       FUC   4   2.325  -3.590  -6.120
   36    H5   FUC   4           H5       FUC   4   0.863  -2.143  -4.787
   37    H61  FUC   4           H61      FUC   4   3.272  -2.059  -4.167
   38    H62  FUC   4           H62      FUC   4   2.990  -3.269  -2.918
   39    H63  FUC   4           H63      FUC   4   2.217  -1.696  -2.812
   40    HO2  FUC   4           HO2      FUC   4  -1.568  -5.996  -6.532
   41    HO3  FUC   4           HO3      FUC   4   1.325  -6.112  -6.722
   42    HO4  FUC   4           HO4      FUC   4   3.195  -4.946  -4.477
  Start of MODEL   14
    1    H2   BGC   1           H2       BGC   1  -4.200  -2.565  -4.025
    2    H3   BGC   1           H3       BGC   1  -1.608  -2.113  -2.477
    3    H4   BGC   1           H4       BGC   1  -2.637  -0.610  -4.916
    4    H5   BGC   1           H5       BGC   1  -2.318   0.328  -2.028
    5   H6C1  BGC   1          H61       BGC   1  -1.852   2.156  -3.658
    6   H6C2  BGC   1          H62       BGC   1  -3.383   1.820  -4.475
    7    H1   BGC   1           H1       BGC   1  -3.877  -1.436  -1.185
    8    HA   BGC   1           HO1      BGC   1  -6.184  -1.552  -2.863
    9    HB   BGC   1           HO2      BGC   1  -4.581  -3.993  -2.180
   10    H6   BGC   1           HO6      BGC   1  -4.427   2.234  -2.394
   11    H1   GAL   2           H1       GAL   2  -1.050   1.100  -5.646
   12    H2   GAL   2           H2       GAL   2   1.727   0.136  -4.826
   13    H3   GAL   2           H3       GAL   2   0.986   2.095  -7.051
   14    H4   GAL   2           H4       GAL   2   1.870   0.424  -8.632
   15    H5   GAL   2           H5       GAL   2  -0.543   0.452  -8.105
   16    H61  GAL   2           H61      GAL   2   0.231  -1.295  -9.701
   17    H62  GAL   2           H62      GAL   2   0.460  -2.425  -8.360
   18    HO3  GAL   2           HO3      GAL   2   2.986   2.622  -6.142
   19    HO4  GAL   2           HO4      GAL   2   3.280  -0.644  -7.107
   20    HO6  GAL   2           HO6      GAL   2  -1.815  -2.027  -7.835
   21    H1   FUC   3           H1       FUC   3   3.049   1.878  -3.886
   22    H2   FUC   3           H2       FUC   3   3.188   3.540  -2.201
   23    H3   FUC   3           H3       FUC   3   0.167   3.959  -2.504
   24    H4   FUC   3           H4       FUC   3  -0.067   3.017  -0.261
   25    H5   FUC   3           H5       FUC   3  -0.188   1.497  -2.190
   26    H61  FUC   3           H61      FUC   3  -0.437   0.416   0.050
   27    H62  FUC   3           H62      FUC   3   1.291   0.069   0.070
   28    H63  FUC   3           H63      FUC   3   0.256  -0.672  -1.143
   29    HO2  FUC   3           HO2      FUC   3   2.651   5.391  -3.416
   30    HO3  FUC   3           HO3      FUC   3   1.223   5.889  -1.868
   31    HO4  FUC   3           HO4      FUC   3   2.087   3.650   0.446
   32    H1   FUC   4           H1       FUC   4  -1.366  -4.587  -3.093
   33    H2   FUC   4           H2       FUC   4  -0.039  -5.996  -4.514
   34    H3   FUC   4           H3       FUC   4   0.012  -3.653  -6.461
   35    H4   FUC   4           H4       FUC   4   2.438  -3.532  -6.038
   36    H5   FUC   4           H5       FUC   4   0.944  -2.120  -4.721
   37    H61  FUC   4           H61      FUC   4   3.102  -3.195  -2.854
   38    H62  FUC   4           H62      FUC   4   2.281  -1.647  -2.727
   39    H63  FUC   4           H63      FUC   4   3.341  -1.965  -4.092
   40    HO2  FUC   4           HO2      FUC   4  -2.185  -4.676  -5.880
   41    HO3  FUC   4           HO3      FUC   4   0.033  -5.863  -7.365
   42    HO4  FUC   4           HO4      FUC   4   2.656  -5.779  -5.401
  Start of MODEL   15
    1    H2   BGC   1           H2       BGC   1  -4.225  -2.523  -4.038
    2    H3   BGC   1           H3       BGC   1  -1.632  -2.119  -2.477
    3    H4   BGC   1           H4       BGC   1  -2.637  -0.579  -4.904
    4    H5   BGC   1           H5       BGC   1  -2.302   0.313  -2.002
    5   H6C1  BGC   1          H61       BGC   1  -1.804   2.158  -3.601
    6   H6C2  BGC   1          H62       BGC   1  -3.340   1.862  -4.426
    7    H1   BGC   1           H1       BGC   1  -3.894  -1.434  -1.184
    8    HA   BGC   1           HO1      BGC   1  -6.196  -1.493  -2.871
    9    HB   BGC   1           HO2      BGC   1  -4.629  -3.967  -2.210
   10    H6   BGC   1           HO6      BGC   1  -4.377   2.260  -2.338
   11    H1   GAL   2           H1       GAL   2  -1.029   1.110  -5.621
   12    H2   GAL   2           H2       GAL   2   1.717   0.145  -4.727
   13    H3   GAL   2           H3       GAL   2   1.142   2.093  -7.002
   14    H4   GAL   2           H4       GAL   2   1.963   0.378  -8.562
   15    H5   GAL   2           H5       GAL   2  -0.463   0.499  -8.074
   16    H61  GAL   2           H61      GAL   2   0.280  -1.250  -9.685
   17    H62  GAL   2           H62      GAL   2   0.447  -2.407  -8.357
   18    HO3  GAL   2           HO3      GAL   2   3.424   1.933  -7.323
   19    HO4  GAL   2           HO4      GAL   2   3.292  -0.747  -6.993
   20    HO6  GAL   2           HO6      GAL   2  -1.823  -1.945  -7.866
   21    H1   FUC   3           H1       FUC   3   3.042   2.073  -3.918
   22    H2   FUC   3           H2       FUC   3   3.076   3.731  -2.223
   23    H3   FUC   3           H3       FUC   3   0.026   3.898  -2.448
   24    H4   FUC   3           H4       FUC   3  -0.076   2.924  -0.210
   25    H5   FUC   3           H5       FUC   3  -0.114   1.417  -2.155
   26    H61  FUC   3           H61      FUC   3   0.505  -0.716  -1.137
   27    H62  FUC   3           H62      FUC   3  -0.228   0.309   0.086
   28    H63  FUC   3           H63      FUC   3   1.519   0.087   0.056
   29    HO2  FUC   3           HO2      FUC   3   2.360   5.542  -3.396
   30    HO3  FUC   3           HO3      FUC   3   0.933   5.904  -1.818
   31    HO4  FUC   3           HO4      FUC   3   2.036   3.728   0.452
   32    H1   FUC   4           H1       FUC   4  -1.403  -4.578  -3.100
   33    H2   FUC   4           H2       FUC   4  -0.101  -6.006  -4.521
   34    H3   FUC   4           H3       FUC   4  -0.016  -3.667  -6.473
   35    H4   FUC   4           H4       FUC   4   2.415  -3.585  -6.049
   36    H5   FUC   4           H5       FUC   4   0.934  -2.144  -4.744
   37    H61  FUC   4           H61      FUC   4   3.339  -2.027  -4.119
   38    H62  FUC   4           H62      FUC   4   3.073  -3.231  -2.861
   39    H63  FUC   4           H63      FUC   4   2.282  -1.664  -2.765
   40    HO2  FUC   4           HO2      FUC   4  -2.228  -4.656  -5.887
   41    HO3  FUC   4           HO3      FUC   4  -0.026  -5.879  -7.371
   42    HO4  FUC   4           HO4      FUC   4   2.598  -5.830  -5.399
  Start of MODEL   16
    1    H2   BGC   1           H2       BGC   1  -4.246  -2.411  -4.083
    2    H3   BGC   1           H3       BGC   1  -1.641  -2.068  -2.527
    3    H4   BGC   1           H4       BGC   1  -2.638  -0.477  -4.925
    4    H5   BGC   1           H5       BGC   1  -2.273   0.365  -2.011
    5   H6C1  BGC   1          H61       BGC   1  -1.759   2.226  -3.588
    6   H6C2  BGC   1          H62       BGC   1  -3.304   1.965  -4.405
    7    H1   BGC   1           H1       BGC   1  -3.884  -1.375  -1.213
    8    HA   BGC   1           HO1      BGC   1  -6.196  -1.376  -2.886
    9    HB   BGC   1           HO2      BGC   1  -4.663  -3.880  -2.278
   10    H6   BGC   1           HO6      BGC   1  -4.321   2.348  -2.303
   11    H1   GAL   2           H1       GAL   2  -1.011   1.202  -5.628
   12    H2   GAL   2           H2       GAL   2   1.724   0.183  -4.763
   13    H3   GAL   2           H3       GAL   2   1.160   2.145  -7.026
   14    H4   GAL   2           H4       GAL   2   1.960   0.428  -8.600
   15    H5   GAL   2           H5       GAL   2  -0.460   0.604  -8.102
   16    H61  GAL   2           H61      GAL   2   0.248  -1.154  -9.725
   17    H62  GAL   2           H62      GAL   2   0.377  -2.322  -8.403
   18    HO3  GAL   2           HO3      GAL   2   3.626   0.878  -6.256
   19    HO4  GAL   2           HO4      GAL   2   3.274  -0.904  -7.385
   20    HO6  GAL   2           HO6      GAL   2  -1.877  -1.825  -7.921
   21    H1   FUC   3           H1       FUC   3   3.081   2.105  -3.933
   22    H2   FUC   3           H2       FUC   3   3.117   3.784  -2.266
   23    H3   FUC   3           H3       FUC   3   0.064   3.924  -2.388
   24    H4   FUC   3           H4       FUC   3   0.008   2.888  -0.176
   25    H5   FUC   3           H5       FUC   3  -0.076   1.443  -2.173
   26    H61  FUC   3           H61      FUC   3   0.526  -0.725  -1.216
   27    H62  FUC   3           H62      FUC   3  -0.191   0.275   0.038
   28    H63  FUC   3           H63      FUC   3   1.554   0.036  -0.008
   29    HO2  FUC   3           HO2      FUC   3   1.380   4.447  -4.447
   30    HO3  FUC   3           HO3      FUC   3   0.314   5.330  -0.578
   31    HO4  FUC   3           HO4      FUC   3   2.151   3.657   0.457
   32    H1   FUC   4           H1       FUC   4  -1.453  -4.508  -3.173
   33    H2   FUC   4           H2       FUC   4  -0.188  -5.964  -4.592
   34    H3   FUC   4           H3       FUC   4  -0.103  -3.655  -6.581
   35    H4   FUC   4           H4       FUC   4   2.339  -3.607  -6.172
   36    H5   FUC   4           H5       FUC   4   0.884  -2.133  -4.855
   37    H61  FUC   4           H61      FUC   4   3.304  -2.033  -4.272
   38    H62  FUC   4           H62      FUC   4   3.040  -3.217  -2.993
   39    H63  FUC   4           H63      FUC   4   2.266  -1.642  -2.910
   40    HO2  FUC   4           HO2      FUC   4  -2.488  -5.769  -5.026
   41    HO3  FUC   4           HO3      FUC   4   1.319  -6.149  -6.710
   42    HO4  FUC   4           HO4      FUC   4   3.216  -4.932  -4.505
  Start of MODEL   17
    1    H2   BGC   1           H2       BGC   1  -4.292  -2.345  -4.092
    2    H3   BGC   1           H3       BGC   1  -1.727  -2.060  -2.447
    3    H4   BGC   1           H4       BGC   1  -2.640  -0.482  -4.892
    4    H5   BGC   1           H5       BGC   1  -2.302   0.373  -1.979
    5   H6C1  BGC   1          H61       BGC   1  -1.741   2.217  -3.566
    6   H6C2  BGC   1          H62       BGC   1  -3.287   1.979  -4.389
    7    H1   BGC   1           H1       BGC   1  -3.946  -1.356  -1.203
    8    HA   BGC   1           HO1      BGC   1  -5.896  -2.523  -1.799
    9    HB   BGC   1           HO2      BGC   1  -3.716  -4.336  -3.241
   10    H6   BGC   1           HO6      BGC   1  -4.307   2.393  -2.296
   11    H1   GAL   2           H1       GAL   2  -1.008   1.157  -5.595
   12    H2   GAL   2           H2       GAL   2   1.726   0.164  -4.693
   13    H3   GAL   2           H3       GAL   2   1.164   2.121  -6.963
   14    H4   GAL   2           H4       GAL   2   1.988   0.407  -8.523
   15    H5   GAL   2           H5       GAL   2  -0.438   0.538  -8.054
   16    H61  GAL   2           H61      GAL   2   0.420  -1.251  -9.625
   17    H62  GAL   2           H62      GAL   2   0.381  -2.399  -8.280
   18    HO3  GAL   2           HO3      GAL   2   3.447   1.955  -7.278
   19    HO4  GAL   2           HO4      GAL   2   3.305  -0.732  -6.955
   20    HO6  GAL   2           HO6      GAL   2  -1.580  -2.428  -9.527
   21    H1   FUC   3           H1       FUC   3   3.063   2.077  -3.862
   22    H2   FUC   3           H2       FUC   3   3.091   3.764  -2.199
   23    H3   FUC   3           H3       FUC   3   0.038   3.895  -2.367
   24    H4   FUC   3           H4       FUC   3  -0.038   2.909  -0.133
   25    H5   FUC   3           H5       FUC   3  -0.105   1.431  -2.107
   26    H61  FUC   3           H61      FUC   3   1.518   0.057   0.084
   27    H62  FUC   3           H62      FUC   3   0.497  -0.721  -1.117
   28    H63  FUC   3           H63      FUC   3  -0.226   0.295   0.119
   29    HO2  FUC   3           HO2      FUC   3   1.394   4.420  -4.409
   30    HO3  FUC   3           HO3      FUC   3   1.226   5.864  -1.775
   31    HO4  FUC   3           HO4      FUC   3   2.088   3.690   0.510
   32    H1   FUC   4           H1       FUC   4  -1.441  -4.484  -3.022
   33    H2   FUC   4           H2       FUC   4  -0.162  -5.955  -4.419
   34    H3   FUC   4           H3       FUC   4  -0.082  -3.662  -6.427
   35    H4   FUC   4           H4       FUC   4   2.354  -3.594  -6.028
   36    H5   FUC   4           H5       FUC   4   0.913  -2.105  -4.742
   37    H61  FUC   4           H61      FUC   4   3.323  -2.017  -4.130
   38    H62  FUC   4           H62      FUC   4   3.041  -3.190  -2.847
   39    H63  FUC   4           H63      FUC   4   2.279  -1.609  -2.778
   40    HO2  FUC   4           HO2      FUC   4  -2.270  -4.626  -5.845
   41    HO3  FUC   4           HO3      FUC   4  -0.119  -5.896  -7.275
   42    HO4  FUC   4           HO4      FUC   4   2.523  -5.824  -5.331
  Start of MODEL   18
    1    H2   BGC   1           H2       BGC   1  -4.224  -2.477  -4.085
    2    H3   BGC   1           H3       BGC   1  -1.662  -2.021  -2.488
    3    H4   BGC   1           H4       BGC   1  -2.646  -0.521  -4.949
    4    H5   BGC   1           H5       BGC   1  -2.363   0.405  -2.052
    5   H6C1  BGC   1          H61       BGC   1  -1.842   2.236  -3.663
    6   H6C2  BGC   1          H62       BGC   1  -3.362   1.927  -4.511
    7    H1   BGC   1           H1       BGC   1  -3.976  -1.333  -1.244
    8    HA   BGC   1           HO1      BGC   1  -6.240  -0.942  -1.672
    9    HB   BGC   1           HO2      BGC   1  -4.652  -3.886  -2.245
   10    H6   BGC   1           HO6      BGC   1  -4.440   2.345  -2.449
   11    H1   GAL   2           H1       GAL   2  -1.035   1.172  -5.669
   12    H2   GAL   2           H2       GAL   2   1.703   0.209  -4.746
   13    H3   GAL   2           H3       GAL   2   1.136   2.132  -7.044
   14    H4   GAL   2           H4       GAL   2   1.972   0.400  -8.579
   15    H5   GAL   2           H5       GAL   2  -0.463   0.530  -8.100
   16    H61  GAL   2           H61      GAL   2   0.271  -1.247  -9.690
   17    H62  GAL   2           H62      GAL   2   0.419  -2.386  -8.345
   18    HO3  GAL   2           HO3      GAL   2   3.602   0.836  -6.431
   19    HO4  GAL   2           HO4      GAL   2   2.729  -1.523  -7.827
   20    HO6  GAL   2           HO6      GAL   2  -1.841  -1.911  -7.870
   21    H1   FUC   3           H1       FUC   3   3.023   2.134  -3.923
   22    H2   FUC   3           H2       FUC   3   3.040   3.849  -2.295
   23    H3   FUC   3           H3       FUC   3  -0.016   3.985  -2.456
   24    H4   FUC   3           H4       FUC   3  -0.068   3.012  -0.201
   25    H5   FUC   3           H5       FUC   3  -0.160   1.533  -2.193
   26    H61  FUC   3           H61      FUC   3  -0.313   0.405   0.038
   27    H62  FUC   3           H62      FUC   3   1.428   0.132   0.004
   28    H63  FUC   3           H63      FUC   3   0.392  -0.623  -1.198
   29    HO2  FUC   3           HO2      FUC   3   1.331   4.475  -4.508
   30    HO3  FUC   3           HO3      FUC   3   1.713   5.156  -0.493
   31    HO4  FUC   3           HO4      FUC   3   1.907   2.257   0.749
   32    H1   FUC   4           H1       FUC   4  -1.425  -4.490  -3.079
   33    H2   FUC   4           H2       FUC   4  -0.045  -5.923  -4.424
   34    H3   FUC   4           H3       FUC   4   0.012  -3.646  -6.448
   35    H4   FUC   4           H4       FUC   4   2.433  -3.509  -5.977
   36    H5   FUC   4           H5       FUC   4   0.923  -2.071  -4.708
   37    H61  FUC   4           H61      FUC   4   3.317  -1.920  -4.052
   38    H62  FUC   4           H62      FUC   4   3.047  -3.113  -2.785
   39    H63  FUC   4           H63      FUC   4   2.239  -1.556  -2.715
   40    HO2  FUC   4           HO2      FUC   4  -1.381  -6.045  -6.381
   41    HO3  FUC   4           HO3      FUC   4   1.440  -5.080  -7.617
   42    HO4  FUC   4           HO4      FUC   4   2.636  -5.749  -5.290
  Start of MODEL   19
    1    H2   BGC   1           H2       BGC   1  -4.170  -2.620  -4.029
    2    H3   BGC   1           H3       BGC   1  -1.603  -2.107  -2.460
    3    H4   BGC   1           H4       BGC   1  -2.627  -0.651  -4.930
    4    H5   BGC   1           H5       BGC   1  -2.350   0.320  -2.048
    5   H6C1  BGC   1          H61       BGC   1  -1.845   2.107  -3.742
    6   H6C2  BGC   1          H62       BGC   1  -3.410   1.806  -4.502
    7    H1   BGC   1           H1       BGC   1  -3.926  -1.427  -1.207
    8    HA   BGC   1           HO1      BGC   1  -6.200  -1.083  -1.632
    9    HB   BGC   1           HO2      BGC   1  -4.560  -4.012  -2.165
   10    H6   BGC   1           HO6      BGC   1  -3.536   3.542  -2.984
   11    H1   GAL   2           H1       GAL   2  -1.065   1.069  -5.668
   12    H2   GAL   2           H2       GAL   2   1.724   0.162  -4.819
   13    H3   GAL   2           H3       GAL   2   0.969   2.084  -7.070
   14    H4   GAL   2           H4       GAL   2   1.890   0.414  -8.627
   15    H5   GAL   2           H5       GAL   2  -0.526   0.401  -8.122
   16    H61  GAL   2           H61      GAL   2   0.365  -1.357  -9.678
   17    H62  GAL   2           H62      GAL   2   0.504  -2.473  -8.316
   18    HO3  GAL   2           HO3      GAL   2   2.958   2.656  -6.166
   19    HO4  GAL   2           HO4      GAL   2   3.307  -0.614  -7.080
   20    HO6  GAL   2           HO6      GAL   2  -1.912  -1.193  -9.223
   21    H1   FUC   3           H1       FUC   3   3.008   1.964  -3.886
   22    H2   FUC   3           H2       FUC   3   3.077   3.657  -2.237
   23    H3   FUC   3           H3       FUC   3   0.034   3.918  -2.451
   24    H4   FUC   3           H4       FUC   3  -0.116   2.936  -0.216
   25    H5   FUC   3           H5       FUC   3  -0.221   1.470  -2.197
   26    H61  FUC   3           H61      FUC   3   0.278  -0.710  -1.198
   27    H62  FUC   3           H62      FUC   3  -0.438   0.334   0.019
   28    H63  FUC   3           H63      FUC   3   1.297   0.030   0.028
   29    HO2  FUC   3           HO2      FUC   3   1.399   4.424  -4.436
   30    HO3  FUC   3           HO3      FUC   3   1.937   5.168  -0.675
   31    HO4  FUC   3           HO4      FUC   3   1.884   3.482   0.688
   32    H1   FUC   4           H1       FUC   4  -1.327  -4.587  -3.042
   33    H2   FUC   4           H2       FUC   4   0.019  -6.002  -4.446
   34    H3   FUC   4           H3       FUC   4   0.035  -3.683  -6.424
   35    H4   FUC   4           H4       FUC   4   2.461  -3.530  -6.008
   36    H5   FUC   4           H5       FUC   4   0.963  -2.118  -4.699
   37    H61  FUC   4           H61      FUC   4   3.131  -3.160  -2.826
   38    H62  FUC   4           H62      FUC   4   2.302  -1.616  -2.715
   39    H63  FUC   4           H63      FUC   4   3.362  -1.943  -4.078
   40    HO2  FUC   4           HO2      FUC   4  -2.139  -4.727  -5.840
   41    HO3  FUC   4           HO3      FUC   4   0.079  -5.902  -7.302
   42    HO4  FUC   4           HO4      FUC   4   2.704  -5.767  -5.351
  Start of MODEL   20
    1    H2   BGC   1           H2       BGC   1  -4.299  -2.286  -4.173
    2    H3   BGC   1           H3       BGC   1  -1.768  -2.026  -2.472
    3    H4   BGC   1           H4       BGC   1  -2.639  -0.433  -4.923
    4    H5   BGC   1           H5       BGC   1  -2.334   0.398  -2.000
    5   H6C1  BGC   1          H61       BGC   1  -1.737   2.251  -3.562
    6   H6C2  BGC   1          H62       BGC   1  -3.269   2.028  -4.414
    7    H1   BGC   1           H1       BGC   1  -4.001  -1.331  -1.268
    8    HA   BGC   1           HO1      BGC   1  -5.945  -2.483  -1.912
    9    HB   BGC   1           HO2      BGC   1  -3.727  -4.289  -3.333
   10    H6   BGC   1           HO6      BGC   1  -4.324   2.431  -2.336
   11    H1   GAL   2           H1       GAL   2  -0.993   1.190  -5.615
   12    H2   GAL   2           H2       GAL   2   1.727   0.175  -4.694
   13    H3   GAL   2           H3       GAL   2   1.189   2.120  -6.980
   14    H4   GAL   2           H4       GAL   2   2.019   0.388  -8.520
   15    H5   GAL   2           H5       GAL   2  -0.408   0.528  -8.079
   16    H61  GAL   2           H61      GAL   2   0.357  -1.274  -9.633
   17    H62  GAL   2           H62      GAL   2   0.467  -2.395  -8.270
   18    HO3  GAL   2           HO3      GAL   2   3.474   1.944  -7.280
   19    HO4  GAL   2           HO4      GAL   2   3.320  -0.739  -6.931
   20    HO6  GAL   2           HO6      GAL   2  -1.804  -1.896  -7.855
   21    H1   FUC   3           H1       FUC   3   3.080   2.086  -3.866
   22    H2   FUC   3           H2       FUC   3   3.110   3.771  -2.203
   23    H3   FUC   3           H3       FUC   3   0.058   3.917  -2.381
   24    H4   FUC   3           H4       FUC   3  -0.030   2.931  -0.148
   25    H5   FUC   3           H5       FUC   3  -0.097   1.453  -2.123
   26    H61  FUC   3           H61      FUC   3   1.512   0.072   0.074
   27    H62  FUC   3           H62      FUC   3   0.495  -0.703  -1.133
   28    H63  FUC   3           H63      FUC   3  -0.232   0.314   0.101
   29    HO2  FUC   3           HO2      FUC   3   1.424   4.436  -4.418
   30    HO3  FUC   3           HO3      FUC   3   1.253   5.880  -1.785
   31    HO4  FUC   3           HO4      FUC   3   2.097   3.701   0.503
   32    H1   FUC   4           H1       FUC   4  -1.478  -4.424  -3.015
   33    H2   FUC   4           H2       FUC   4  -0.162  -5.928  -4.351
   34    H3   FUC   4           H3       FUC   4  -0.139  -3.701  -6.442
   35    H4   FUC   4           H4       FUC   4   2.295  -3.611  -6.067
   36    H5   FUC   4           H5       FUC   4   0.890  -2.104  -4.771
   37    H61  FUC   4           H61      FUC   4   2.279  -1.599  -2.829
   38    H62  FUC   4           H62      FUC   4   3.307  -2.031  -4.185
   39    H63  FUC   4           H63      FUC   4   3.027  -3.186  -2.886
   40    HO2  FUC   4           HO2      FUC   4  -1.649  -6.314  -6.028
   41    HO3  FUC   4           HO3      FUC   4  -0.130  -5.767  -7.450
   42    HO4  FUC   4           HO4      FUC   4   2.478  -5.834  -5.347