*HEADER    DNA                                     24-MAR-04   1SSJ              
*TITLE     A DNA DUPLEX CONTAINING A CHOLESTEROL ADDUCT (BETA-ANOMER)            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-D(*CP*CP*AP*CP*(HOB)P*GP*GP*AP*AP*C)-3';                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: 5'-D(GP*TP*TP*CP*CP*GP*GP*TP*GP*G)-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    DOUBLE HELIX, MODIFIED DNA, CHOLESTEROL ADDUCT, DNA LESION            
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    I.GOMEZ-PINTO, E.CUBERO, S.G.KALKO, V.MONACO, G.VAN DER               
*AUTHOR   2 MAREL, J.H.VAN BOOM, M.OROZCO, C.GONZALEZ                            
*REVDAT   1   01-JUN-04 1SSJ    0                                                



REMARK  CONSTRAINT FILE FOR A DNA DUPLEX 
REMARK  CONTAINING A CHOLESTEROL ADDUCT (BETA-ANOMER)
  2 CYT  H1'     2 CYT  H6        3.87 3.18 #
  3 ADE  H1'     3 ADE  H8        3.94 3.14 #
  4 CYT  H1'     4 CYT  H6        4.34 3.84 #
  6 GUA  H1'     6 GUA  H8        4.02 3.07 #
  7 GUA  H1'     7 GUA  H8        4.37 3.26 #
  8 ADE  H1'     8 ADE  H8        3.93 3.16 #
  9 ADE  H1'     9 ADE  H8        4.49 3.18 #
 10 CYT  H1'    10 CYT  H6        3.71 3.02 #
 11 GUA  H1'    11 GUA  H8        3.86 3.12 #
 12 THY  H1'    12 THY  H6        3.50 2.59 #
 13 THY  H1'    13 THY  H6        3.32 2.82 #
 14 CYT  H1'    14 CYT  H6        3.65 3.15 #
 15 CYT  H1'    15 CYT  H6        4.47 3.53 #
 16 GUA  H1'    16 GUA  H8        5.00 4.00 #
 17 GUA  H1'    17 GUA  H8        4.14 3.29 #
 18 THY  H1'    18 THY  H6        3.65 2.84 #
 19 GUA  H1'    19 GUA  H8        4.09 3.26 #
 20 GUA  H1'    20 GUA  H8        4.48 3.21 #
  1 CYT  H1'     2 CYT  H6        4.27 3.56 #
  2 CYT  H1'     3 ADE  H8        3.74 3.24 #
  3 ADE  H1'     4 CYT  H6        4.10 3.00 #
  6 GUA  H1'     7 GUA  H8        3.94 3.40 #
  7 GUA  H1'     8 ADE  H8        3.81 3.05 #
  8 ADE  H1'     9 ADE  H8        3.59 3.07 #
  9 ADE  H1'    10 CYT  H6        3.88 3.16 #
 11 GUA  H1'    12 THY  H6        3.58 2.92 #
 13 THY  H1'    14 CYT  H6        3.98 3.00 #
 14 CYT  H1'    15 CYT  H6        4.83 3.97 #
 15 CYT  H1'    16 GUA  H8        5.00 4.00 #
 16 GUA  H1'    17 GUA  H8        3.53 2.80 #
 17 GUA  H1'    18 THY  H6        4.45 2.48 #
 18 THY  H1'    19 GUA  H8        4.13 2.63 #
 19 GUA  H1'    20 GUA  H8        3.35 2.85 #
  1 CYT  H6      1 CYT  H2'       2.84 2.34 #
  2 CYT  H6      2 CYT  H2'       2.44 1.94 #
  3 ADE  H8      3 ADE  H2'       2.57 2.07 #
  4 CYT  H6      4 CYT  H2'       4.18 2.36 #
  7 GUA  H8      7 GUA  H2'       2.49 1.99 #
  9 ADE  H8      9 ADE  H2'       2.66 1.99 #
 10 CYT  H6     10 CYT  H2'       2.79 2.29 #
 11 GUA  H8     11 GUA  H2'       2.82 2.32 #
 12 THY  H6     12 THY  H2'       2.42 1.92 #
 13 THY  H6     13 THY  H2'       2.39 1.89 #
 14 CYT  H6     14 CYT  H2'       2.51 2.01 #
 15 CYT  H6     15 CYT  H2'       2.93 2.43 #
 16 GUA  H8     16 GUA  H2'       3.50 2.73 #
 17 GUA  H8     17 GUA  H2'       2.81 2.31 #
 18 THY  H6     18 THY  H2'       2.51 2.01 #
 19 GUA  H8     19 GUA  H2'       2.54 2.04 #
 20 GUA  H8     20 GUA  H2'       2.68 2.18 #
  2 CYT  H2'     3 ADE  H8        3.62 3.12 #
  3 ADE  H2'     4 CYT  H6        4.43 3.78 #
  7 GUA  H2'     8 ADE  H8        5.29 3.00 #
  8 ADE  H2'     9 ADE  H8        3.86 3.03 #
  9 ADE  H2'    10 CYT  H6        3.82 2.93 #
 13 THY  H2'    14 CYT  H6        3.95 3.12 #
 14 CYT  H2'    15 CYT  H6        4.27 3.46 #
 15 CYT  H2'    16 GUA  H8        4.50 3.08 #
 17 GUA  H2'    18 THY  H6        3.20 2.70 #
 18 THY  H2'    19 GUA  H8        3.75 3.12 #
 19 GUA  H2'    20 GUA  H8        3.93 3.43 #
  2 CYT  H6      2 CYT  H2"       3.80 3.30 #
  3 ADE  H8      3 ADE  H2"       3.77 3.02 #
  4 CYT  H6      4 CYT  H2"       3.50 2.46 #
  8 ADE  H8      8 ADE  H2"       3.91 2.63 #
  9 ADE  H8      9 ADE  H2"       3.96 3.43 #
 10 CYT  H6     10 CYT  H2"       3.55 2.83 #
 11 GUA  H8     11 GUA  H2"       4.05 3.55 #
 12 THY  H6     12 THY  H2"       3.75 3.25 #
 14 CYT  H6     14 CYT  H2"       3.82 3.31 #
 15 CYT  H6     15 CYT  H2"       4.02 3.11 #
 16 GUA  H8     16 GUA  H2"       3.50 2.56 #
 17 GUA  H8     17 GUA  H2"       4.00 2.77 #
 18 THY  H6     18 THY  H2"       3.75 3.09 #
 19 GUA  H8     19 GUA  H2"       3.86 3.12 #
 20 GUA  H8     20 GUA  H2"       4.07 3.36 #
  2 CYT  H2"     3 ADE  H8        3.36 2.86 #
  3 ADE  H2"     4 CYT  H6        3.43 2.93 #
  8 ADE  H2"     9 ADE  H8        3.21 2.71 #
  9 ADE  H2"    10 CYT  H6        2.94 2.44 #
 11 GUA  H2"    12 THY  H6        3.09 2.59 #
 13 THY  H2"    14 CYT  H6        3.31 2.44 #
 14 CYT  H2"    15 CYT  H6        3.59 2.99 #
 15 CYT  H2"    16 GUA  H8        4.52 3.72 #
 16 GUA  H2"    17 GUA  H8        3.31 2.81 #
 17 GUA  H2"    18 THY  H6        3.09 2.59 #
 18 THY  H2"    19 GUA  H8        3.36 2.86 #
 19 GUA  H2"    20 GUA  H8        3.20 2.70 #
  2 CYT  H6      2 CYT  H3'       4.00 3.17 #
  3 ADE  H8      3 ADE  H3'       4.19 3.05 #
  6 GUA  H8      6 GUA  H3'       4.33 3.24 #
  7 GUA  H8      7 GUA  H3'       4.11 3.44 #
  8 ADE  H8      8 ADE  H3'       4.26 2.82 #
  9 ADE  H8      9 ADE  H3'       4.45 3.05 #
 10 CYT  H6     10 CYT  H3'       3.38 2.82 #
 11 GUA  H8     11 GUA  H3'       4.40 3.54 #
 14 CYT  H6     14 CYT  H3'       4.45 3.80 #
 15 CYT  H6     15 CYT  H3'       3.55 3.05 #
 17 GUA  H8     17 GUA  H3'       4.49 3.37 #
 18 THY  H6     18 THY  H3'       4.24 3.11 #
 19 GUA  H8     19 GUA  H3'       4.00 2.39 #
 20 GUA  H8     20 GUA  H3'       4.11 3.10 #
  1 CYT  H3'     2 CYT  H6        3.97 3.25 #
  2 CYT  H3'     3 ADE  H8        5.00 3.72 #
  3 ADE  H3'     4 CYT  H6        5.06 4.56 #
  5 CHOX H3'     6 GUA  H8        4.95 4.45 #
  9 ADE  H3'    10 CYT  H6        4.50 3.65 #
 11 GUA  H3'    12 THY  H6        4.03 3.53 #
 15 CYT  H3'    16 GUA  H8        5.00 4.00 #
 16 GUA  H3'    17 GUA  H8        4.65 4.15 #
 17 GUA  H3'    18 THY  H6        4.50 3.56 #
 18 THY  H3'    19 GUA  H8        4.81 4.31 #
 19 GUA  H3'    20 GUA  H8        4.25 3.75 #
  1 CYT  H4'     1 CYT  H6        3.96 3.30 #
  2 CYT  H4'     2 CYT  H6        4.62 3.87 #
  3 ADE  H4'     3 ADE  H8        4.50 3.80 #
  4 CYT  H4'     4 CYT  H6        4.88 4.38 #
  6 GUA  H4'     6 GUA  H8        4.65 3.64 #
  7 GUA  H4'     7 GUA  H8        4.19 3.10 #
  8 ADE  H4'     8 ADE  H8        4.42 3.92 #
  9 ADE  H4'     9 ADE  H8        4.45 3.65 #
 10 CYT  H4'    10 CYT  H6        4.50 3.16 #
 11 GUA  H4'    11 GUA  H8        4.49 3.93 #
 12 THY  H4'    12 THY  H6        3.85 2.55 #
 13 THY  H4'    13 THY  H6        4.56 3.05 #
 14 CYT  H4'    14 CYT  H6        4.43 3.84 #
 15 CYT  H4'    15 CYT  H6        4.70 3.72 #
 17 GUA  H4'    17 GUA  H8        3.50 2.72 #
 18 THY  H4'    18 THY  H6        4.62 3.85 #
 18 THY  H4'    19 GUA  H8        5.00 4.22 #
 19 GUA  H4'    19 GUA  H8        4.61 3.80 #
 19 GUA  H4'    20 GUA  H8        5.22 4.72 #
 20 GUA  H4'    20 GUA  H8        4.01 3.51 #
  2 CYT  H6      3 ADE  H8        4.85 3.97 #
  3 ADE  H8      4 CYT  H6        4.24 3.74 #
  7 GUA  H8      8 ADE  H8        3.86 3.36 #
  9 ADE  H8     10 CYT  H6        4.48 3.58 #
 11 GUA  H8     12 THY  Q7        4.00 3.45 #
 11 GUA  H8     12 THY  H6        5.00 3.90 #
 12 THY  H6     13 THY  Q7        4.39 3.13 #
 14 CYT  H6     15 CYT  H6        4.34 3.84 #
 17 GUA  H8     18 THY  Q7        4.02 3.52 #
 17 GUA  H8     18 THY  H6        4.30 3.80 #
 18 THY  H6     19 GUA  H8        4.19 3.12 #
 18 THY  Q7     19 GUA  H8        5.55 5.05 #
  3 ADE  H2     18 THY  H1'       4.69 4.19 #
  3 ADE  H2     19 GUA  H1'       4.78 4.28 #
  3 ADE  H2      4 CYT  H1'       3.91 3.16 #
  9 ADE  H2     10 CYT  H1'       4.07 3.41 #
  9 ADE  H1'     9 ADE  H2        4.54 3.33 #
  9 ADE  H2     10 CYT  H4'       4.94 3.83 #
  9 ADE  H2     10 CYT  H2"       5.17 4.67 #
  1 CYT  H3'     2 CYT  H5        4.36 3.51 #
  1 CYT  H2'     2 CYT  H5        3.07 2.57 #
  1 CYT  H2"     2 CYT  H5        4.33 3.47 #
  1 CYT  H6      2 CYT  H5        3.97 3.47 #
  3 ADE  H2'     4 CYT  H5        4.31 3.05 #
  3 ADE  H2"     4 CYT  H5        4.00 3.15 #
  3 ADE  H8      4 CYT  H5        4.38 3.06 #
  4 CYT  H1'     4 CYT  H5        5.50 3.98 #
  4 CYT  H5      4 CYT  H2'       4.61 4.11 #
  9 ADE  H2'    10 CYT  H5        4.16 3.57 #
  9 ADE  H2"    10 CYT  H5        4.25 3.25 #
  9 ADE  H1'    10 CYT  H5        4.48 3.96 #
  9 ADE  H8     10 CYT  H5        4.29 3.19 #
 10 CYT  H5     10 CYT  H3'       6.00 4.04 #
 10 CYT  H5     10 CYT  H2'       4.18 3.32 #
 10 CYT  H1'    10 CYT  H5        5.00 4.02 #
 13 THY  Q7     14 CYT  H5        4.29 3.79 #
 13 THY  H6     14 CYT  H5        3.43 2.93 #
 14 CYT  H2'    15 CYT  H5        3.50 3.00 #
 14 CYT  H2"    15 CYT  H5        3.88 3.38 #
  1 CYT  H4'     1 CYT  H1'       3.54 2.01 #
  2 CYT  H1'     3 ADE  H4'       5.03 4.53 #
  2 CYT  H4'     2 CYT  H1'       3.17 2.67 #
  3 ADE  H4'     3 ADE  H1'       3.31 2.81 #
  4 CYT  H4'     4 CYT  H1'       2.83 2.33 #
  6 GUA  H4'     6 GUA  H1'       4.00 3.50 #
  7 GUA  H4'     7 GUA  H1'       3.54 3.04 #
  8 ADE  H4'     8 ADE  H1'       3.05 2.55 #
  9 ADE  H4'     9 ADE  H1'       3.54 2.54 #
 10 CYT  H4'    10 CYT  H1'       2.78 2.28 #
 12 THY  H4'    12 THY  H1'       3.15 2.65 #
 15 CYT  H4'    15 CYT  H1'       3.02 2.52 #
 17 GUA  H4'    17 GUA  H1'       3.38 2.88 #
 18 THY  H4'    18 THY  H1'       3.17 2.67 #
 19 GUA  H4'    19 GUA  H1'       3.22 2.72 #
  3 ADE  H4'     3 ADE  H2'       3.67 3.17 #
  8 ADE  H4'     8 ADE  H2'       3.66 2.96 #
  9 ADE  H4'     9 ADE  H2'       3.59 3.09 #
 10 CYT  H4'    10 CYT  H2'       3.94 3.44 #
 12 THY  H4'    12 THY  H2'       3.59 3.09 #
 13 THY  H4'    13 THY  H2'       3.43 2.84 #
 15 CYT  H4'    15 CYT  H2'       4.19 3.32 #
 18 THY  H4'    18 THY  H2'       3.59 3.09 #
 19 GUA  H4'    19 GUA  H2'       3.95 3.45 #
  3 ADE  H4'     3 ADE  H2"       3.84 3.34 #
  8 ADE  H4'     8 ADE  H2"       4.40 3.66 #
 15 CYT  H4'    15 CYT  H2"       3.19 2.69 #
 18 THY  H2"    19 GUA  H4'       5.00 4.15 #
 19 GUA  H4'    19 GUA  H2"       3.90 3.40 #
 11 GUA  H1'    12 THY  Q7        4.59 3.94 #
 11 GUA  H3'    12 THY  Q7        4.00 3.26 #
 12 THY  H1'    12 THY  Q7        6.00 4.60 #
 12 THY  H4'    13 THY  Q7        5.45 4.95 #
 12 THY  H1'    13 THY  Q7        4.50 4.00 #
 12 THY  H3'    13 THY  Q7        4.14 3.64 #
 13 THY  H1'    13 THY  Q7        6.00 4.61 #
 17 GUA  H1'    18 THY  Q7        5.00 4.32 #
 17 GUA  H4'    18 THY  Q7        6.00 4.30 #
 18 THY  H1'    18 THY  Q7        6.13 4.63 #
  1 CYT  H1'     1 CYT  H2'       3.60 2.71 #
  2 CYT  H1'     2 CYT  H2'       4.07 2.94 #
  3 ADE  H1'     3 ADE  H2'       3.43 2.77 #
  4 CYT  H1'     4 CYT  H2'       3.31 2.81 #
  5 CHOX H1'     5 CHOX H2"       3.54 2.90 #
  6 GUA  H1'     6 GUA  H2'       3.81 3.04 #
  7 GUA  H1'     7 GUA  H2'       3.38 2.88 #
  8 ADE  H1'     8 ADE  H2'       2.91 2.41 #
 10 CYT  H1'    10 CYT  H2'       3.39 2.43 #
 11 GUA  H1'    11 GUA  H2'       3.93 2.93 #
 12 THY  H1'    12 THY  H2'       3.10 2.60 #
 13 THY  H1'    13 THY  H2'       3.17 2.54 #
 15 CYT  H1'    15 CYT  H2'       3.08 2.48 #
 17 GUA  H1'    17 GUA  H2'       3.26 2.74 #
 18 THY  H1'    18 THY  H2'       3.30 2.68 #
 19 GUA  H1'    19 GUA  H2'       2.98 2.48 #
  1 CYT  H1'     1 CYT  H2"       2.69 2.19 #
  2 CYT  H1'     2 CYT  H2"       2.62 2.12 #
  3 ADE  H1'     3 ADE  H2"       2.74 2.24 #
  4 CYT  H1'     4 CYT  H2"       2.60 2.10 #
  5 CHOX H1'     5 CHOX H2'       3.41 2.50 #
  6 GUA  H1'     6 GUA  H2"       2.87 2.37 #
  7 GUA  H1'     7 GUA  H2"       2.82 2.32 #
  8 ADE  H1'     8 ADE  H2"       2.55 2.05 #
  9 ADE  H1'     9 ADE  H2"       2.54 2.04 #
 10 CYT  H1'    10 CYT  H2"       2.35 1.85 #
 11 GUA  H1'    11 GUA  H2"       2.55 2.05 #
 12 THY  H1'    12 THY  H2"       2.44 1.94 #
 13 THY  H1'    13 THY  H2"       2.38 1.88 #
 14 CYT  H1'    14 CYT  H2"       2.58 2.08 #
 15 CYT  H1'    15 CYT  H2"       2.52 2.02 #
 17 GUA  H1'    17 GUA  H2"       2.55 2.05 #
 18 THY  H1'    18 THY  H2"       2.55 2.05 #
 19 GUA  H1'    19 GUA  H2"       2.61 2.11 #
 20 GUA  H1'    20 GUA  H2"       2.55 2.05 #
  1 CYT  H1'     1 CYT  H3'       4.29 3.49 #
  2 CYT  H1'     2 CYT  H3'       4.34 3.64 #
  3 ADE  H1'     3 ADE  H3'       3.55 3.05 #
  4 CYT  H1'     4 CYT  H3'       4.76 3.90 #
  5 CHOX H1'     5 CHOX H3'       4.53 4.03 #
  6 GUA  H1'     6 GUA  H3'       4.44 3.73 #
  7 GUA  H1'     7 GUA  H3'       4.03 3.53 #
  8 ADE  H1'     8 ADE  H3'       3.63 3.13 #
  9 ADE  H1'     9 ADE  H3'       3.57 3.07 #
 10 CYT  H1'    10 CYT  H3'       3.67 2.94 #
 11 GUA  H1'    11 GUA  H3'       4.10 3.60 #
 12 THY  H1'    12 THY  H3'       3.71 3.10 #
 13 THY  H1'    13 THY  H3'       3.84 2.80 #
 14 CYT  H1'    14 CYT  H3'       3.78 3.28 #
 15 CYT  H1'    15 CYT  H3'       3.79 3.29 #
 17 GUA  H1'    17 GUA  H3'       3.98 3.42 #
 18 THY  H1'    18 THY  H3'       4.16 3.26 #
 19 GUA  H1'    19 GUA  H3'       3.64 3.14 #
 20 GUA  H1'    20 GUA  H3'       3.85 3.35 #
  1 CYT  H3'     1 CYT  H2'       2.71 2.20 #
  2 CYT  H3'     2 CYT  H2'       2.58 2.08 #
  4 CYT  H3'     4 CYT  H2'       4.68 2.18 #
  5 CHOX H3'     5 CHOX H2"       2.84 2.34 #
  9 ADE  H3'     9 ADE  H2'       2.63 2.13 #
 10 CYT  H3'    10 CYT  H2'       2.65 2.15 #
 11 GUA  H3'    11 GUA  H2'       2.81 2.31 #
 15 CYT  H3'    15 CYT  H2'       2.78 2.28 #
 20 GUA  H3'    20 GUA  H2'       2.64 2.14 #
  1 CYT  H3'     1 CYT  H2"       3.83 3.06 #
  3 ADE  H3'     3 ADE  H2"       3.09 2.59 #
  4 CYT  H3'     4 CYT  H2"       3.49 2.75 #
  5 CHOX H3'     5 CHOX H2'       3.26 2.76 #
  6 GUA  H3'     6 GUA  H2"       2.92 2.42 #
  8 ADE  H3'     8 ADE  H2"       2.96 2.46 #
  9 ADE  H3'     9 ADE  H2"       3.07 2.57 #
 10 CYT  H3'    10 CYT  H2"       3.73 2.75 #
 11 GUA  H3'    11 GUA  H2"       3.47 2.93 #
 20 GUA  H3'    20 GUA  H2"       3.37 2.58 #
  1 CYT  H4'     1 CYT  H3'       3.05 2.55 #
  9 ADE  H4'     9 ADE  H3'       2.97 2.47 #
 10 CYT  H4'    10 CYT  H3'       3.75 2.70 #
 11 GUA  H4'    11 GUA  H3'       3.24 2.74 #
 12 THY  H4'    12 THY  H3'       2.93 2.43 #
 15 CYT  H4'    15 CYT  H3'       2.88 2.38 #
 19 GUA  H4'    19 GUA  H3'       2.92 2.42 #
 20 GUA  H4'    20 GUA  H3'       3.83 2.95 #
  2 CYT  H1'     3 ADE  H2'       4.50 4.00 #
  2 CYT  H1'     3 ADE  H2"       5.00 3.79 #
  3 ADE  H1'     4 CYT  H2"       5.00 3.65 #
  1 CYT  H5      2 CYT  H42       5.00 1.80 #
  1 CYT  H42     2 CYT  H42       4.00 1.80 #
  2 CYT  H41    19 GUA  H1        3.50 1.80 #
  2 CYT  H41    18 THY  H3        5.00 1.80 #
  2 CYT  H42    19 GUA  H1        3.00 1.80 #
  2 CYT  H5     19 GUA  H1        4.50 1.80 #
  3 ADE  H1'     3 ADE  H2        4.50 1.80 #
  3 ADE  H1'     4 CYT  H42       5.00 1.80 #
  3 ADE  H2      4 CYT  H5        5.00 1.80 #
  3 ADE  H8      4 CYT  H41       5.00 1.80 #
  3 ADE  H2     18 THY  H3        3.00 1.80 #
  3 ADE  H2     19 GUA  H1        4.00 1.80 #
  3 ADE  H2     17 GUA  H1        5.00 1.80 #
  4 CYT  H41    17 GUA  H1        4.00 1.80 #
  4 CYT  H42    17 GUA  H1        3.50 1.80 #
  4 CYT  H5     17 GUA  H1        5.50 1.80 #
  4 CYT  H42    18 THY  H3        4.00 1.80 #
  7 GUA  H1     13 THY  H3        4.00 1.80 #
  8 ADE  H2      9 ADE  H2        3.00 1.80 #
  8 ADE  H2     13 THY  H3        3.00 1.80 #
  8 ADE  H2     12 THY  H3        5.00 1.80 #
  8 ADE  H2      7 GUA  H1        3.50 1.80 #
  9 ADE  H2     12 THY  H3        3.00 1.80 #
  9 ADE  H2     13 THY  H3        3.50 1.80 #
  9 ADE  H2     11 GUA  H1        5.00 1.80 #
 10 CYT  H41    11 GUA  H1        4.00 1.80 #
 10 CYT  H42    11 GUA  H1        3.50 1.80 #
 10 CYT  H6     11 GUA  H1        5.50 1.80 #
 10 CYT  H41    12 THY  H3        6.00 1.80 #
 10 CYT  H42    12 THY  H3        5.50 1.80 #
  9 ADE  H1'    13 THY  H3        6.00 1.80 #
 14 CYT  H41     7 GUA  H1        4.00 1.80 #
 14 CYT  H41    13 THY  H3        6.00 1.80 #
 14 CYT  H42    13 THY  H3        5.00 1.80 #
 14 CYT  H5      7 GUA  H1        4.50 1.80 #
 14 CYT  H5     13 THY  H6        4.00 1.80 #
 15 CYT  H41     6 GUA  H1        5.00 1.80 #
 15 CYT  H41     7 GUA  H1        5.00 1.80 #
 11 GUA  H1     12 THY  H3        4.50 1.80 #
 19 GUA  H1     18 THY  H3        4.00 1.80 #
 17 GUA  H1     18 THY  H3        4.00 1.80 #
 12 THY  H3     13 THY  H3        5.00 1.80 #
 16 GUA  H1'    15 CYT  H2"       5.00 1.80 #
  5 CHX  H31     5 CHX  H1'       4.00 1.80 #
  5 CHX  H32     5 CHX  H1'       4.00 1.80 #
  5 CHX  H21     5 CHX  H1'       4.00 1.80 #
  5 CHX  H41     5 CHX  H1'       5.00 1.80 #
  5 CHX  H42     5 CHX  H1'       5.00 1.80 #
  5 CHX  H21     5 CHX  H2'       4.00 1.80 #
  5 CHX  H22     5 CHX  H2'       4.00 1.80 #
  5 CHX  H21     5 CHX  H2"       5.00 1.80 #
  5 CHX  H31     5 CHX  H5        4.00 1.80 #
  5 CHX  H41     5 CHX  H5        3.00 1.80 #
  5 CHX  H42     5 CHX  H5        3.00 1.80 #
  5 CHX  H21     5 CHX  H5        5.00 1.80 #
  5 CHX  H22     5 CHX  H5        5.00 1.80 #
  5 CHX  H101    4 CYT  H5        5.00 1.80 #
  5 CHX  H102    4 CYT  H5        5.00 1.80 #
  5 CHX  C15     4 CYT  H5        5.00 1.80 #
  5 CHX  C15     4 CYT  H6        6.00 1.80 #
  5 CHX  C15     4 CYT  H1'       5.00 1.80 #
  5 CHX  H21     6 GUA  H2'       4.00 1.80 #
  5 CHX  H21     6 GUA  H2"       4.00 1.80 #
  5 CHX  H22     6 GUA  H2'       4.00 1.80 #
  5 CHX  H22     6 GUA  H2"       4.00 1.80 #
  5 CHX  H9      6 GUA  H8        5.00 1.80 #
  5 CHX  H141    6 GUA  H8        5.00 1.80 #
  5 CHX  H142    6 GUA  H8        5.00 1.80 #
  5 CHX  H131    6 GUA  H8        5.00 1.80 #
  5 CHX  C15     6 GUA  H8        6.00 1.80 #
  5 CHX  C24    16 GUA  H4'       6.00 1.80 #
  5 CHX  C24    16 GUA  H1'       6.00 1.80 #
  5 CHX  C24    17 GUA  H4'       5.00 1.80 #
  5 CHX  H261   15 CYT  H1'       6.00 1.80 #
  5 CHX  H261   15 CYT  H2'       5.50 1.80 #
  5 CHX  H261   15 CYT  H2"       5.00 1.80 #
  5 CHX  H261   16 GUA  H5'       5.50 1.80 #
  5 CHX  H261   16 GUA  H4'       5.00 1.80 #
  5 CHX  H261   16 GUA  H3'       6.00 1.80 #
  5 CHX  H261   16 GUA  H1'       5.50 1.80 #
  5 CHX  H261   16 GUA  H8        5.50 1.80 #
  5 CHX  H261   17 GUA  H1'       5.50 1.80 #
  5 CHX  H261   17 GUA  H8        5.00 1.80 #
  5 CHX  H302   15 CYT  H1'       6.00 1.80 #
  5 CHX  H302   17 GUA  H1'       6.00 1.80 #
  5 CHX  C29    17 GUA  H1'       5.00 1.80 #

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    C   1          1H5*        C   1   7.972 -11.859   5.728
    2   2H5*    C   1          2H5*        C   1   6.314 -12.346   5.376
    3    H4*    C   1           H4*        C   1   8.773 -13.902   4.493
    4    H3*    C   1           H3*        C   1   8.124 -11.401   3.550
    5    H1*    C   1           H1*        C   1   6.834 -14.639   1.758
    6   1H4     C   1          1H4         C   1   0.369 -13.758   2.936
    7   2H4     C   1          2H4         C   1   0.511 -14.329   1.260
    8    H5     C   1           H5         C   1   2.222 -13.515   4.399
    9    H6     C   1           H6         C   1   4.689 -13.558   4.524
   10   1H2*    C   1          1H2*        C   1   6.034 -11.902   2.697
   11   2H2*    C   1          2H2*        C   1   6.907 -12.433   1.215
   12    H5T    C   1           H5T        C   1   6.663 -14.249   6.590
   13   1H5*    C   2          1H5*        C   2   8.570 -13.308  -0.464
   14   2H5*    C   2          2H5*        C   2   9.950 -12.495  -1.203
   15    H4*    C   2           H4*        C   2   8.363 -12.483  -2.863
   16    H3*    C   2           H3*        C   2   9.081  -9.993  -1.711
   17    H1*    C   2           H1*        C   2   5.607 -10.828  -3.074
   18   1H4     C   2          1H4         C   2   1.644 -10.690   2.218
   19   2H4     C   2          2H4         C   2   0.672 -11.272   0.899
   20    H5     C   2           H5         C   2   3.989 -10.561   2.125
   21    H6     C   2           H6         C   2   5.972 -10.500   0.631
   22   1H2*    C   2          1H2*        C   2   7.101  -9.409  -0.879
   23   2H2*    C   2          2H2*        C   2   6.766  -8.906  -2.560
   24   1H5*    A   3          1H5*        A   3   5.045 -10.627  -5.847
   25   2H5*    A   3          2H5*        A   3   5.978  -9.610  -6.962
   26    H4*    A   3           H4*        A   3   3.906  -8.422  -6.531
   27    H3*    A   3           H3*        A   3   6.361  -7.261  -5.553
   28    H1*    A   3           H1*        A   3   2.680  -7.020  -4.551
   29    H8     A   3           H8         A   3   4.757  -7.289  -1.683
   30   1H6     A   3          1H6         A   3  -0.714  -8.386   1.280
   31   2H6     A   3          2H6         A   3   0.981  -8.031   1.618
   32    H2     A   3           2H         A   3  -1.330  -8.293  -2.982
   33   1H2*    A   3          1H2*        A   3   5.602  -7.061  -3.509
   34   2H2*    A   3          2H2*        A   3   4.736  -5.689  -4.110
   35   1H5*    C   4          1H5*        C   4   2.640  -4.848  -9.379
   36   2H5*    C   4          2H5*        C   4   3.143  -4.555  -7.711
   37    H4*    C   4           H4*        C   4   0.900  -6.479  -8.449
   38    H3*    C   4           H3*        C   4   0.899  -3.635  -8.657
   39    H1*    C   4           H1*        C   4  -0.654  -5.871  -6.090
   40   1H4     C   4          1H4         C   4   1.504  -5.056  -0.012
   41   2H4     C   4          2H4         C   4  -0.093  -5.762  -0.023
   42    H5     C   4           H5         C   4   2.535  -4.529  -1.987
   43    H6     C   4           H6         C   4   2.375  -4.341  -4.405
   44   1H2*    C   4          1H2*        C   4   1.207  -3.412  -6.293
   45   2H2*    C   4          2H2*        C   4  -0.566  -3.397  -6.344
   46    H3*  HOB   5           H3*      HOL   5  -3.675  -0.511  -8.969
   47   1H2*  HOB   5          1H2*      HOL   5  -3.131   1.912  -9.295
   48   2H2*  HOB   5          2H2*      HOL   5  -4.012   2.027  -7.769
   49    H1*  HOB   5           H1*      HOL   5  -1.665   1.751  -6.571
   50   1H2   HOB   5          1H2       HOL   5  -1.516   5.058  -7.350
   51   2H2   HOB   5          2H2       HOL   5  -1.780   3.794  -6.143
   52   1H3   HOB   5          1H3       HOL   5   0.767   4.969  -7.195
   53   2H3   HOB   5          2H3       HOL   5   0.335   4.652  -5.521
   54   1H4   HOB   5          1H4       HOL   5   1.164   2.567  -7.602
   55   2H4   HOB   5          2H4       HOL   5   2.226   3.281  -6.393
   56    H5   HOB   5           H5       HOL   5   0.155   2.189  -4.903
   57   9H    HOB   5          9H        HOL   5  -0.046   1.074  -3.316
   58   1H10  HOB   5          1H10      HOL   5   1.242  -0.411  -1.876
   59   2H10  HOB   5          2H10      HOL   5   0.589  -1.834  -2.686
   60   6H1   HOB   5          6H1       HOL   5   0.410  -0.575   0.350
   61   1H17  HOB   5          1H17      HOL   5  -1.792   0.509   1.197
   62   2H17  HOB   5          2H17      HOL   5  -1.450  -1.097   1.842
   63   8H1   HOB   5          8H1       HOL   5  -3.085  -2.125   0.453
   64   9H1   HOB   5          9H1       HOL   5  -3.177   0.561  -0.973
   65   1H20  HOB   5          1H20      HOL   5  -4.953  -1.785  -1.694
   66   2H20  HOB   5          2H20      HOL   5  -4.940  -0.179  -2.408
   67   1H21  HOB   5          1H21      HOL   5  -6.799  -0.498  -0.871
   68   2H21  HOB   5          2H21      HOL   5  -5.755   0.827  -0.370
   69   1H24  HOB   5          1H24      HOL   5  -5.141  -2.923   0.178
   70   2H24  HOB   5          2H24      HOL   5  -6.857  -2.656   0.445
   71   3H24  HOB   5          3H24      HOL   5  -5.775  -2.918   1.816
   72   7H2   HOB   5          7H2       HOL   5  -6.419   0.774   1.998
   73   1H26  HOB   5          1H26      HOL   5  -5.916  -1.570   3.813
   74   2H26  HOB   5          2H26      HOL   5  -5.570   0.161   4.055
   75   1H25  HOB   5          1H25      HOL   5  -3.868  -1.958   2.936
   76   2H25  HOB   5          2H25      HOL   5  -3.406  -0.286   3.374
   77   3H2   HOB   5          3H2       HOL   5  -4.147   0.584   1.334
   78   8H2   HOB   5          8H2       HOL   5  -7.980  -1.814   2.465
   79   1H29  HOB   5          1H29      HOL   5  -9.845  -0.602   1.296
   80   2H29  HOB   5          2H29      HOL   5  -8.503  -0.956   0.263
   81   3H29  HOB   5          3H29      HOL   5  -8.703   0.699   0.897
   82   1H30  HOB   5          1H30      HOL   5  -8.169   0.965   3.654
   83   2H30  HOB   5          2H30      HOL   5  -7.977  -0.570   4.494
   84   1H31  HOB   5          1H31      HOL   5 -10.472   0.467   3.141
   85   2H31  HOB   5          2H31      HOL   5 -10.175   0.354   4.860
   86   1H32  HOB   5          1H32      HOL   5 -10.112  -2.085   4.790
   87   2H32  HOB   5          2H32      HOL   5 -10.344  -2.083   3.041
   88   3H3   HOB   5          3H3       HOL   5 -12.351  -1.053   5.105
   89   1H34  HOB   5          1H34      HOL   5 -12.147  -3.519   5.047
   90   2H34  HOB   5          2H34      HOL   5 -12.403  -3.510   3.290
   91   3H34  HOB   5          3H34      HOL   5 -13.701  -2.993   4.390
   92   1H35  HOB   5          1H35      HOL   5 -12.669   0.233   3.063
   93   2H35  HOB   5          2H35      HOL   5 -13.922  -1.009   3.112
   94   3H35  HOB   5          3H35      HOL   5 -12.492  -1.235   2.075
   95   1H15  HOB   5          1H15      HOL   5  -3.349  -2.803  -2.700
   96   2H15  HOB   5          2H15      HOL   5  -2.256  -3.143  -1.331
   97   3H15  HOB   5          3H15      HOL   5  -1.621  -2.896  -2.956
   98   1H13  HOB   5          1H13      HOL   5  -3.250  -0.903  -3.915
   99   2H13  HOB   5          2H13      HOL   5  -2.694   0.584  -3.238
  100   1H14  HOB   5          1H14      HOL   5  -1.398   0.150  -5.176
  101   2H14  HOB   5          2H14      HOL   5  -1.021  -1.495  -4.669
  102    H4*  HOB   5           H4*      HOL   5  -1.374  -0.706  -7.198
  103   1H5*  HOB   5          1H5*      HOL   5  -1.562  -0.965 -10.214
  104   2H5*  HOB   5          2H5*      HOL   5  -0.161  -1.423  -9.217
  105   1H5*    G   6          1H5*        G   6  -6.938   0.544  -4.427
  106   2H5*    G   6          2H5*        G   6  -7.693   0.821  -5.991
  107    H4*    G   6           H4*        G   6  -8.256   2.645  -4.721
  108    H3*    G   6           H3*        G   6  -6.878   3.184  -6.988
  109    H1*    G   6           H1*        G   6  -5.869   4.889  -3.600
  110    H8     G   6           H8         G   6  -3.291   2.542  -5.040
  111    H1     G   6           H1         G   6  -2.592   3.304   1.241
  112   1H2     G   6          1H2         G   6  -4.644   3.571   2.056
  113   2H2     G   6          2H2         G   6  -5.947   4.048   0.986
  114   1H2*    G   6          1H2*        G   6  -4.799   3.437  -6.048
  115   2H2*    G   6          2H2*        G   6  -5.268   5.129  -5.867
  116   1H5*    G   7          1H5*        G   7  -7.501   8.653  -6.780
  117   2H5*    G   7          2H5*        G   7  -5.856   8.443  -6.188
  118    H4*    G   7           H4*        G   7  -8.325   7.307  -4.815
  119    H3*    G   7           H3*        G   7  -7.723   9.986  -4.975
  120    H1*    G   7           H1*        G   7  -6.615   7.881  -1.970
  121    H8     G   7           H8         G   7  -4.000   8.139  -4.657
  122    H1     G   7           H1         G   7  -1.593   6.556   1.139
  123   1H2     G   7          1H2         G   7  -3.230   6.684   2.597
  124   2H2     G   7          2H2         G   7  -4.857   7.104   2.086
  125   1H2*    G   7          1H2*        G   7  -5.549   9.697  -4.199
  126   2H2*    G   7          2H2*        G   7  -6.340  10.185  -2.682
  127   1H5*    A   8          1H5*        A   8  -8.073   9.079  -0.469
  128   2H5*    A   8          2H5*        A   8  -9.330  10.153   0.155
  129    H4*    A   8           H4*        A   8  -7.714  10.257   1.790
  130    H3*    A   8           H3*        A   8  -7.986  12.611   0.230
  131    H1*    A   8           H1*        A   8  -4.949  11.359   2.040
  132    H8     A   8           H8         A   8  -4.591  10.936  -1.734
  133   1H6     A   8          1H6         A   8   1.245   9.061  -0.227
  134   2H6     A   8          2H6         A   8   0.351   9.517  -1.679
  135    H2     A   8           2H         A   8  -0.963   9.377   3.305
  136   1H2*    A   8          1H2*        A   8  -5.844  12.452  -0.586
  137   2H2*    A   8          2H2*        A   8  -5.468  13.329   0.911
  138   1H5*    A   9          1H5*        A   9  -6.379  16.117   3.846
  139   2H5*    A   9          2H5*        A   9  -5.032  15.826   2.778
  140    H4*    A   9           H4*        A   9  -6.234  13.743   4.687
  141    H3*    A   9           H3*        A   9  -4.859  15.907   5.575
  142    H1*    A   9           H1*        A   9  -2.757  12.942   4.675
  143    H8     A   9           H8         A   9  -3.449  14.823   1.462
  144   1H6     A   9          1H6         A   9   2.067  12.486  -0.345
  145   2H6     A   9          2H6         A   9   0.725  13.491  -0.896
  146    H2     A   9           2H         A   9   1.395  11.413   3.823
  147   1H2*    A   9          1H2*        A   9  -3.292  15.801   3.932
  148   2H2*    A   9          2H2*        A   9  -2.423  15.125   5.332
  149   1H5*    C  10          1H5*        C  10  -2.008  12.480   7.083
  150   2H5*    C  10          2H5*        C  10  -1.801  12.804   8.805
  151    H4*    C  10           H4*        C  10   0.374  12.365   8.073
  152    H3*    C  10           H3*        C  10  -0.166  15.254   8.486
  153    H1*    C  10           H1*        C  10   2.326  13.360   6.345
  154   1H4     C  10          1H4         C  10   1.186  16.621   0.708
  155   2H4     C  10          2H4         C  10   2.743  15.809   0.554
  156    H5     C  10           H5         C  10  -0.187  16.339   2.708
  157    H6     C  10           H6         C  10  -0.276  15.419   4.920
  158    H3T    C  10           H3T        C  10   0.781  14.268  10.189
  159   1H2*    C  10          1H2*        C  10   0.981  15.995   6.777
  160   2H2*    C  10          2H2*        C  10   2.461  15.276   7.452
  161   1H5*    G  11          1H5*        G  11  11.588  12.094  -4.348
  162   2H5*    G  11          2H5*        G  11  10.014  12.805  -3.992
  163    H4*    G  11           H4*        G  11  12.462  12.849  -2.168
  164    H3*    G  11           H3*        G  11  10.707  10.685  -2.562
  165    H1*    G  11           H1*        G  11   9.779  13.356   0.241
  166    H8     G  11           H8         G  11   8.320  13.830  -3.258
  167    H1     G  11           H1         G  11   4.270  14.667   1.659
  168   1H2     G  11          1H2         G  11   5.324  14.090   3.513
  169   2H2     G  11          2H2         G  11   7.074  13.767   3.442
  170   1H2*    G  11          1H2*        G  11   8.781  11.488  -1.729
  171   2H2*    G  11          2H2*        G  11   9.562  11.337  -0.106
  172    H5T    G  11           H5T        G  11  11.039  14.879  -3.902
  173   1H5*    T  12          1H5*        T  12  11.151  10.824   1.975
  174   2H5*    T  12          2H5*        T  12  11.588   9.208   2.549
  175    H4*    T  12           H4*        T  12   9.791  10.104   3.896
  176    H3*    T  12           H3*        T  12   9.445   7.608   2.600
  177   1H2*    T  12          1H2*        T  12   7.521   8.295   1.682
  178   2H2*    T  12          2H2*        T  12   6.834   8.109   3.340
  179    H1*    T  12           H1*        T  12   7.056  10.357   3.838
  180    H3     T  12           H3         T  12   3.190  11.507   1.559
  181   1H5M    T  12          1H7         T  12   7.126  10.113  -1.927
  182   2H5M    T  12          2H7         T  12   6.493  11.733  -2.200
  183   3H5M    T  12          3H7         T  12   5.451  10.313  -2.497
  184    H6     T  12           H6         T  12   7.677  10.229   0.316
  185   1H5*    T  13          1H5*        T  13   7.309   9.303   6.233
  186   2H5*    T  13          2H5*        T  13   7.696   8.264   7.612
  187    H4*    T  13           H4*        T  13   5.675   9.362   8.112
  188    H3*    T  13           H3*        T  13   5.759   6.664   8.278
  189   1H2*    T  13          1H2*        T  13   4.809   6.276   6.248
  190   2H2*    T  13          2H2*        T  13   3.302   6.229   7.191
  191    H1*    T  13           H1*        T  13   2.754   8.424   6.640
  192    H3     T  13           H3         T  13   1.281   9.085   2.379
  193   1H5M    T  13          1H7         T  13   6.024   6.440   2.328
  194   2H5M    T  13          2H7         T  13   5.604   7.524   0.999
  195   3H5M    T  13          3H7         T  13   4.782   5.938   1.165
  196    H6     T  13           H6         T  13   5.092   6.919   4.346
  197   1H5*    C  14          1H5*        C  14   1.722   8.585   8.912
  198   2H5*    C  14          2H5*        C  14   0.872   8.025  10.356
  199    H4*    C  14           H4*        C  14  -0.713   8.362   8.615
  200    H3*    C  14           H3*        C  14  -0.461   5.749   9.777
  201    H1*    C  14           H1*        C  14  -1.765   6.982   6.585
  202   1H4     C  14          1H4         C  14   1.693   5.247   1.216
  203   2H4     C  14          2H4         C  14   0.207   5.938   0.631
  204    H5     C  14           H5         C  14   2.256   5.073   3.465
  205    H6     C  14           H6         C  14   1.452   5.384   5.844
  206   1H2*    C  14          1H2*        C  14   0.145   4.868   7.638
  207   2H2*    C  14          2H2*        C  14  -1.658   4.759   7.521
  208   1H5*    C  15          1H5*        C  15  -4.081   3.263  10.471
  209   2H5*    C  15          2H5*        C  15  -2.748   3.549   9.340
  210    H4*    C  15           H4*        C  15  -5.617   3.194   8.353
  211    H3*    C  15           H3*        C  15  -3.754   1.208   9.352
  212    H1*    C  15           H1*        C  15  -4.985   2.056   5.830
  213   1H4     C  15          1H4         C  15   0.807   2.409   2.717
  214   2H4     C  15          2H4         C  15  -0.447   2.770   1.521
  215    H5     C  15           H5         C  15   0.398   2.374   5.099
  216    H6     C  15           H6         C  15  -1.351   2.040   6.745
  217   1H2*    C  15          1H2*        C  15  -3.022   0.485   7.298
  218   2H2*    C  15          2H2*        C  15  -4.755   0.278   6.796
  219   1H5*    G  16          1H5*        G  16  -6.585  -1.178   6.626
  220   2H5*    G  16          2H5*        G  16  -7.388  -2.356   7.669
  221    H4*    G  16           H4*        G  16  -6.618  -3.463   5.651
  222    H3*    G  16           H3*        G  16  -5.634  -4.228   8.302
  223    H1*    G  16           H1*        G  16  -3.595  -4.201   4.834
  224    H8     G  16           H8         G  16  -2.839  -2.317   8.106
  225    H1     G  16           H1         G  16   2.000  -2.290   3.839
  226   1H2     G  16          1H2         G  16   1.419  -3.800   2.169
  227   2H2     G  16          2H2         G  16  -0.238  -4.363   2.130
  228   1H2*    G  16          1H2*        G  16  -3.473  -4.663   7.815
  229   2H2*    G  16          2H2*        G  16  -3.893  -5.663   6.507
  230   1H5*    G  17          1H5*        G  17  -9.700  -6.694   5.052
  231   2H5*    G  17          2H5*        G  17  -7.978  -6.837   4.695
  232    H4*    G  17           H4*        G  17  -9.687  -4.559   3.706
  233    H3*    G  17           H3*        G  17 -10.226  -7.049   2.801
  234    H1*    G  17           H1*        G  17  -7.566  -5.014   0.959
  235    H8     G  17           H8         G  17  -6.128  -6.130   4.137
  236    H1     G  17           H1         G  17  -1.917  -5.540  -0.745
  237   1H2     G  17          1H2         G  17  -3.066  -5.570  -2.606
  238   2H2     G  17          2H2         G  17  -4.818  -5.623  -2.506
  239   1H2*    G  17          1H2*        G  17  -7.915  -7.550   2.595
  240   2H2*    G  17          2H2*        G  17  -8.346  -7.233   0.889
  241   1H5*    T  18          1H5*        T  18  -8.800  -5.602  -1.174
  242   2H5*    T  18          2H5*        T  18  -9.975  -6.019  -2.428
  243    H4*    T  18           H4*        T  18  -7.966  -7.063  -3.213
  244    H3*    T  18           H3*        T  18  -9.855  -8.953  -2.178
  245   1H2*    T  18          1H2*        T  18  -8.316  -9.588  -0.612
  246   2H2*    T  18          2H2*        T  18  -7.888 -10.620  -1.998
  247    H1*    T  18           H1*        T  18  -6.159  -8.874  -2.705
  248    H3     T  18           H3         T  18  -2.282  -8.751  -0.399
  249   1H5M    T  18          1H7         T  18  -4.559  -9.105   3.698
  250   2H5M    T  18          2H7         T  18  -5.662 -10.396   3.141
  251   3H5M    T  18          3H7         T  18  -6.208  -8.697   3.188
  252    H6     T  18           H6         T  18  -6.883  -9.209   0.900
  253   1H5*    G  19          1H5*        G  19  -8.425 -13.038  -5.193
  254   2H5*    G  19          2H5*        G  19  -7.841 -12.080  -3.823
  255    H4*    G  19           H4*        G  19  -6.430 -11.893  -6.479
  256    H3*    G  19           H3*        G  19  -6.578 -14.393  -5.253
  257    H1*    G  19           H1*        G  19  -3.678 -12.082  -5.001
  258    H8     G  19           H8         G  19  -5.796 -11.855  -1.849
  259    H1     G  19           H1         G  19   0.600 -11.381  -1.066
  260   1H2     G  19          1H2         G  19   1.514 -11.295  -3.100
  261   2H2     G  19          2H2         G  19   0.443 -11.265  -4.503
  262   1H2*    G  19          1H2*        G  19  -5.596 -13.736  -3.324
  263   2H2*    G  19          2H2*        G  19  -4.214 -14.317  -4.195
  264   1H5*    G  20          1H5*        G  20  -2.961 -12.903  -7.614
  265   2H5*    G  20          2H5*        G  20  -2.933 -13.808  -9.125
  266    H4*    G  20           H4*        G  20  -0.844 -12.761  -8.816
  267    H3*    G  20           H3*        G  20  -0.878 -15.539  -9.217
  268    H1*    G  20           H1*        G  20   1.395 -14.010  -6.434
  269    H8     G  20           H8         G  20  -2.163 -14.706  -5.332
  270    H1     G  20           H1         G  20   2.185 -14.590  -0.581
  271   1H2     G  20          1H2         G  20   4.179 -14.404  -1.466
  272   2H2     G  20          2H2         G  20   4.366 -14.157  -3.222
  273    H3T    G  20           H3T        G  20   1.400 -13.803  -8.871
  274   1H2*    G  20          1H2*        G  20  -0.663 -16.141  -6.983
  275   2H2*    G  20          2H2*        G  20   1.064 -16.099  -7.433
  Start of MODEL    2
    1   1H5*    C   1          1H5*        C   1   7.166 -13.401   5.935
    2   2H5*    C   1          2H5*        C   1   5.614 -13.285   5.121
    3    H4*    C   1           H4*        C   1   7.996 -14.971   4.239
    4    H3*    C   1           H3*        C   1   7.675 -12.283   3.954
    5    H1*    C   1           H1*        C   1   6.255 -14.669   1.148
    6   1H4     C   1          1H4         C   1  -0.255 -14.463   2.368
    7   2H4     C   1          2H4         C   1   0.015 -14.658   0.621
    8    H5     C   1           H5         C   1   1.582 -14.222   3.896
    9    H6     C   1           H6         C   1   4.031 -14.128   4.068
   10   1H2*    C   1          1H2*        C   1   5.619 -12.299   2.846
   11   2H2*    C   1          2H2*        C   1   6.596 -12.460   1.340
   12    H5T    C   1           H5T        C   1   5.079 -14.879   6.389
   13   1H5*    C   2          1H5*        C   2   8.286 -13.269  -0.325
   14   2H5*    C   2          2H5*        C   2   9.829 -12.589  -0.818
   15    H4*    C   2           H4*        C   2   8.483 -12.160  -2.623
   16    H3*    C   2           H3*        C   2   9.185  -9.860  -1.171
   17    H1*    C   2           H1*        C   2   5.740 -10.393  -2.753
   18   1H4     C   2          1H4         C   2   1.663 -11.008   2.383
   19   2H4     C   2          2H4         C   2   0.788 -11.577   0.981
   20    H5     C   2           H5         C   2   3.928 -10.537   2.370
   21    H6     C   2           H6         C   2   5.979 -10.308   0.958
   22   1H2*    C   2          1H2*        C   2   7.204  -9.282  -0.373
   23   2H2*    C   2          2H2*        C   2   6.943  -8.598  -1.998
   24   1H5*    A   3          1H5*        A   3   5.342  -9.956  -5.478
   25   2H5*    A   3          2H5*        A   3   6.268  -8.834  -6.481
   26    H4*    A   3           H4*        A   3   4.174  -7.725  -5.965
   27    H3*    A   3           H3*        A   3   6.593  -6.633  -4.801
   28    H1*    A   3           H1*        A   3   2.871  -6.616  -3.900
   29    H8     A   3           H8         A   3   4.896  -7.046  -1.018
   30   1H6     A   3          1H6         A   3  -0.603  -8.612   1.625
   31   2H6     A   3          2H6         A   3   1.090  -8.365   2.073
   32    H2     A   3           2H         A   3  -1.054  -8.190  -2.623
   33   1H2*    A   3          1H2*        A   3   5.774  -6.602  -2.780
   34   2H2*    A   3          2H2*        A   3   4.849  -5.226  -3.289
   35   1H5*    C   4          1H5*        C   4   3.112  -3.590  -8.262
   36   2H5*    C   4          2H5*        C   4   3.466  -3.774  -6.541
   37    H4*    C   4           H4*        C   4   1.377  -5.511  -7.878
   38    H3*    C   4           H3*        C   4   1.203  -2.657  -7.569
   39    H1*    C   4           H1*        C   4  -0.400  -5.476  -5.563
   40   1H4     C   4          1H4         C   4   1.511  -5.175   0.645
   41   2H4     C   4          2H4         C   4  -0.077  -5.925   0.588
   42    H5     C   4           H5         C   4   2.543  -4.401  -1.192
   43    H6     C   4           H6         C   4   2.440  -3.978  -3.576
   44   1H2*    C   4          1H2*        C   4   1.159  -2.824  -5.238
   45   2H2*    C   4          2H2*        C   4  -0.578  -3.036  -5.503
   46    H3*  HOB   5           H3*      HOL   5  -2.539   0.042  -9.085
   47   1H2*  HOB   5          1H2*      HOL   5  -1.569   2.315  -9.056
   48   2H2*  HOB   5          2H2*      HOL   5  -2.445   2.330  -7.519
   49    H1*  HOB   5           H1*      HOL   5  -0.191   1.557  -6.392
   50   1H2   HOB   5          1H2       HOL   5  -0.298   4.914  -7.243
   51   2H2   HOB   5          2H2       HOL   5  -0.674   3.661  -6.051
   52   1H3   HOB   5          1H3       HOL   5   1.892   5.139  -6.477
   53   2H3   HOB   5          2H3       HOL   5   1.025   4.884  -4.958
   54   1H4   HOB   5          1H4       HOL   5   2.665   2.854  -6.539
   55   2H4   HOB   5          2H4       HOL   5   3.154   3.653  -5.043
   56    H5   HOB   5           H5       HOL   5   0.872   2.395  -4.248
   57   9H    HOB   5          9H        HOL   5   0.530   1.154  -2.688
   58   1H10  HOB   5          1H10      HOL   5   1.581  -0.604  -1.412
   59   2H10  HOB   5          2H10      HOL   5   0.847  -1.853  -2.415
   60   6H1   HOB   5          6H1       HOL   5   0.692  -0.996   0.731
   61   1H17  HOB   5          1H17      HOL   5  -1.392   0.093   1.739
   62   2H17  HOB   5          2H17      HOL   5  -1.260  -1.627   2.094
   63   8H1   HOB   5          8H1       HOL   5  -3.006  -2.206   0.610
   64   9H1   HOB   5          9H1       HOL   5  -2.746   0.621  -0.481
   65   1H20  HOB   5          1H20      HOL   5  -4.727  -1.463  -1.443
   66   2H20  HOB   5          2H20      HOL   5  -4.543   0.181  -2.043
   67   1H21  HOB   5          1H21      HOL   5  -6.456  -0.042  -0.542
   68   2H21  HOB   5          2H21      HOL   5  -5.278   1.119   0.048
   69   1H24  HOB   5          1H24      HOL   5  -6.852  -2.191   0.674
   70   2H24  HOB   5          2H24      HOL   5  -5.792  -2.710   1.983
   71   3H24  HOB   5          3H24      HOL   5  -5.195  -2.679   0.325
   72   7H2   HOB   5          7H2       HOL   5  -5.862   1.023   2.411
   73   1H26  HOB   5          1H26      HOL   5  -5.751  -1.503   4.055
   74   2H26  HOB   5          2H26      HOL   5  -5.135   0.126   4.422
   75   1H25  HOB   5          1H25      HOL   5  -3.777  -2.137   3.148
   76   2H25  HOB   5          2H25      HOL   5  -3.073  -0.584   3.701
   77   3H2   HOB   5          3H2       HOL   5  -3.682   0.534   1.742
   78   8H2   HOB   5          8H2       HOL   5  -7.816  -1.291   2.768
   79   1H29  HOB   5          1H29      HOL   5  -8.060   1.312   1.189
   80   2H29  HOB   5          2H29      HOL   5  -9.457   0.344   1.688
   81   3H29  HOB   5          3H29      HOL   5  -8.287  -0.355   0.596
   82   1H30  HOB   5          1H30      HOL   5  -7.909   1.570   3.786
   83   2H30  HOB   5          2H30      HOL   5  -7.397   0.189   4.760
   84   1H31  HOB   5          1H31      HOL   5  -9.701  -0.835   4.166
   85   2H31  HOB   5          2H31      HOL   5 -10.184   0.818   3.802
   86   1H32  HOB   5          1H32      HOL   5  -8.962  -0.124   6.443
   87   2H32  HOB   5          2H32      HOL   5 -10.677  -0.068   6.129
   88   3H3   HOB   5          3H3       HOL   5 -10.009   1.752   7.516
   89   1H34  HOB   5          1H34      HOL   5 -11.057   3.615   6.349
   90   2H34  HOB   5          2H34      HOL   5 -11.904   2.099   5.998
   91   3H34  HOB   5          3H34      HOL   5 -10.816   2.810   4.787
   92   1H35  HOB   5          1H35      HOL   5  -7.658   2.055   6.640
   93   2H35  HOB   5          2H35      HOL   5  -8.568   3.534   6.996
   94   3H35  HOB   5          3H35      HOL   5  -8.369   3.027   5.323
   95   1H15  HOB   5          1H15      HOL   5  -2.170  -3.071  -1.317
   96   2H15  HOB   5          2H15      HOL   5  -1.459  -2.676  -2.885
   97   3H15  HOB   5          3H15      HOL   5  -3.185  -2.445  -2.647
   98   1H13  HOB   5          1H13      HOL   5  -2.873  -0.379  -3.565
   99   2H13  HOB   5          2H13      HOL   5  -2.174   0.915  -2.650
  100   1H14  HOB   5          1H14      HOL   5  -0.897   0.636  -4.655
  101   2H14  HOB   5          2H14      HOL   5  -0.701  -1.087  -4.374
  102    H4*  HOB   5           H4*      HOL   5  -0.363  -0.967  -7.492
  103   1H5*  HOB   5          1H5*      HOL   5  -0.538  -0.317 -10.459
  104   2H5*  HOB   5          2H5*      HOL   5   0.766  -1.259  -9.743
  105   1H5*    G   6          1H5*        G   6  -4.042   1.582  -5.221
  106   2H5*    G   6          2H5*        G   6  -5.488   0.648  -4.910
  107    H4*    G   6           H4*        G   6  -6.939   2.333  -5.652
  108    H3*    G   6           H3*        G   6  -5.377   3.430  -7.472
  109    H1*    G   6           H1*        G   6  -5.067   5.099  -3.883
  110    H8     G   6           H8         G   6  -2.171   2.891  -4.903
  111    H1     G   6           H1         G   6  -2.700   3.239   1.431
  112   1H2     G   6          1H2         G   6  -4.850   3.362   1.911
  113   2H2     G   6          2H2         G   6  -6.029   3.793   0.664
  114   1H2*    G   6          1H2*        G   6  -3.514   3.767  -6.127
  115   2H2*    G   6          2H2*        G   6  -4.146   5.404  -6.034
  116   1H5*    G   7          1H5*        G   7  -6.606   8.837  -7.041
  117   2H5*    G   7          2H5*        G   7  -5.046   8.765  -6.233
  118    H4*    G   7           H4*        G   7  -7.576   7.397  -5.247
  119    H3*    G   7           H3*        G   7  -7.269  10.092  -5.182
  120    H1*    G   7           H1*        G   7  -6.174   8.039  -2.160
  121    H8     G   7           H8         G   7  -3.377   8.597  -4.614
  122    H1     G   7           H1         G   7  -1.471   6.335   1.123
  123   1H2     G   7          1H2         G   7  -3.156   6.759   2.511
  124   2H2     G   7          2H2         G   7  -4.720   7.266   1.873
  125   1H2*    G   7          1H2*        G   7  -5.097   9.972  -4.274
  126   2H2*    G   7          2H2*        G   7  -6.059  10.344  -2.811
  127   1H5*    A   8          1H5*        A   8  -7.945   8.936  -0.800
  128   2H5*    A   8          2H5*        A   8  -9.202   9.969  -0.096
  129    H4*    A   8           H4*        A   8  -7.443   9.860   1.427
  130    H3*    A   8           H3*        A   8  -8.088  12.407   0.334
  131    H1*    A   8           H1*        A   8  -4.969  11.140   1.872
  132    H8     A   8           H8         A   8  -4.459  11.454  -1.875
  133   1H6     A   8          1H6         A   8   1.185   8.978  -0.478
  134   2H6     A   8          2H6         A   8   0.345   9.697  -1.871
  135    H2     A   8           2H         A   8  -1.031   9.266   3.070
  136   1H2*    A   8          1H2*        A   8  -5.932  12.641  -0.542
  137   2H2*    A   8          2H2*        A   8  -5.622  13.251   1.101
  138   1H5*    A   9          1H5*        A   9  -6.728  15.332   4.660
  139   2H5*    A   9          2H5*        A   9  -5.367  15.515   3.566
  140    H4*    A   9           H4*        A   9  -6.061  13.025   5.190
  141    H3*    A   9           H3*        A   9  -4.919  15.276   6.167
  142    H1*    A   9           H1*        A   9  -2.547  12.668   4.904
  143    H8     A   9           H8         A   9  -3.667  14.713   1.921
  144   1H6     A   9          1H6         A   9   1.744  12.635  -0.533
  145   2H6     A   9          2H6         A   9   0.379  13.691  -0.928
  146    H2     A   9           2H         A   9   1.435  11.217   3.524
  147   1H2*    A   9          1H2*        A   9  -3.432  15.500   4.432
  148   2H2*    A   9          2H2*        A   9  -2.428  14.815   5.752
  149   1H5*    C  10          1H5*        C  10  -1.853  12.060   7.472
  150   2H5*    C  10          2H5*        C  10  -1.388  12.380   9.144
  151    H4*    C  10           H4*        C  10   0.603  12.029   7.913
  152    H3*    C  10           H3*        C  10   0.155  14.849   8.725
  153    H1*    C  10           H1*        C  10   2.189  13.109   6.104
  154   1H4     C  10          1H4         C  10   0.695  16.692   0.782
  155   2H4     C  10          2H4         C  10   2.277  15.935   0.552
  156    H5     C  10           H5         C  10  -0.502  16.449   2.968
  157    H6     C  10           H6         C  10  -0.396  15.410   5.134
  158    H3T    C  10           H3T        C  10   2.399  14.486   9.466
  159   1H2*    C  10          1H2*        C  10   0.984  15.751   6.900
  160   2H2*    C  10          2H2*        C  10   2.571  14.997   7.243
  161   1H5*    G  11          1H5*        G  11  11.371  12.484  -4.647
  162   2H5*    G  11          2H5*        G  11   9.838  13.311  -4.319
  163    H4*    G  11           H4*        G  11  12.030  12.837  -2.259
  164    H3*    G  11           H3*        G  11  10.226  10.839  -3.261
  165    H1*    G  11           H1*        G  11   9.333  12.962  -0.023
  166    H8     G  11           H8         G  11   7.782  13.814  -3.450
  167    H1     G  11           H1         G  11   4.113  14.824   1.755
  168   1H2     G  11          1H2         G  11   5.144  13.852   3.450
  169   2H2     G  11          2H2         G  11   6.787  13.222   3.291
  170   1H2*    G  11          1H2*        G  11   8.329  11.413  -2.247
  171   2H2*    G  11          2H2*        G  11   9.158  11.015  -0.696
  172    H5T    G  11           H5T        G  11  11.020  15.149  -3.688
  173   1H5*    T  12          1H5*        T  12  10.989  10.532   1.007
  174   2H5*    T  12          2H5*        T  12  11.385   8.951   1.674
  175    H4*    T  12           H4*        T  12   9.769  10.258   3.022
  176    H3*    T  12           H3*        T  12   9.364   7.544   2.415
  177   1H2*    T  12          1H2*        T  12   7.430   8.101   1.332
  178   2H2*    T  12          2H2*        T  12   6.747   8.067   3.000
  179    H1*    T  12           H1*        T  12   7.027  10.426   3.235
  180    H3     T  12           H3         T  12   3.019  11.531   1.262
  181   1H5M    T  12          1H7         T  12   4.980  10.182  -2.959
  182   2H5M    T  12          2H7         T  12   6.694  10.036  -2.493
  183   3H5M    T  12          3H7         T  12   5.991  11.636  -2.700
  184    H6     T  12           H6         T  12   7.284   9.895  -0.290
  185   1H5*    T  13          1H5*        T  13   6.729   9.784   5.696
  186   2H5*    T  13          2H5*        T  13   7.365   8.996   7.139
  187    H4*    T  13           H4*        T  13   5.215   9.593   7.722
  188    H3*    T  13           H3*        T  13   5.796   6.952   7.805
  189   1H2*    T  13          1H2*        T  13   4.882   6.393   5.879
  190   2H2*    T  13          2H2*        T  13   3.400   6.119   6.791
  191    H1*    T  13           H1*        T  13   2.494   8.172   6.192
  192    H3     T  13           H3         T  13   1.189   8.920   1.955
  193   1H5M    T  13          1H7         T  13   5.963   6.338   1.951
  194   2H5M    T  13          2H7         T  13   5.551   7.433   0.622
  195   3H5M    T  13          3H7         T  13   4.752   5.839   0.744
  196    H6     T  13           H6         T  13   5.036   6.911   3.970
  197   1H5*    C  14          1H5*        C  14   1.816   8.572   8.494
  198   2H5*    C  14          2H5*        C  14   1.122   8.045  10.029
  199    H4*    C  14           H4*        C  14  -0.622   8.610   8.582
  200    H3*    C  14           H3*        C  14  -0.511   6.066   9.704
  201    H1*    C  14           H1*        C  14  -1.946   6.972   6.386
  202   1H4     C  14          1H4         C  14   1.835   4.824   1.389
  203   2H4     C  14          2H4         C  14   0.448   5.652   0.697
  204    H5     C  14           H5         C  14   2.264   4.818   3.669
  205    H6     C  14           H6         C  14   1.303   5.311   5.981
  206   1H2*    C  14          1H2*        C  14   0.008   5.018   7.662
  207   2H2*    C  14          2H2*        C  14  -1.787   4.914   7.573
  208   1H5*    C  15          1H5*        C  15  -4.325   3.576  10.465
  209   2H5*    C  15          2H5*        C  15  -2.944   3.574   9.352
  210    H4*    C  15           H4*        C  15  -5.864   3.279   8.468
  211    H3*    C  15           H3*        C  15  -3.852   1.439   9.451
  212    H1*    C  15           H1*        C  15  -5.123   2.002   5.832
  213   1H4     C  15          1H4         C  15   0.926   2.354   3.089
  214   2H4     C  15          2H4         C  15  -0.295   2.617   1.841
  215    H5     C  15           H5         C  15   0.305   2.281   5.459
  216    H6     C  15           H6         C  15  -1.553   2.096   6.994
  217   1H2*    C  15          1H2*        C  15  -3.250   0.485   7.418
  218   2H2*    C  15          2H2*        C  15  -5.007   0.358   7.000
  219   1H5*    G  16          1H5*        G  16  -6.910  -1.095   7.349
  220   2H5*    G  16          2H5*        G  16  -7.637  -2.250   8.472
  221    H4*    G  16           H4*        G  16  -7.093  -3.336   6.354
  222    H3*    G  16           H3*        G  16  -5.987  -4.274   8.869
  223    H1*    G  16           H1*        G  16  -4.054  -4.179   5.324
  224    H8     G  16           H8         G  16  -3.341  -2.263   8.579
  225    H1     G  16           H1         G  16   1.741  -2.953   4.688
  226   1H2     G  16          1H2         G  16   1.091  -4.018   2.829
  227   2H2     G  16          2H2         G  16  -0.564  -4.610   2.752
  228   1H2*    G  16          1H2*        G  16  -3.840  -4.661   8.291
  229   2H2*    G  16          2H2*        G  16  -4.329  -5.669   7.008
  230   1H5*    G  17          1H5*        G  17  -9.868  -6.508   5.323
  231   2H5*    G  17          2H5*        G  17  -8.116  -6.580   5.147
  232    H4*    G  17           H4*        G  17  -9.662  -4.236   4.160
  233    H3*    G  17           H3*        G  17 -10.241  -6.687   3.126
  234    H1*    G  17           H1*        G  17  -7.508  -4.538   1.515
  235    H8     G  17           H8         G  17  -6.167  -6.032   4.573
  236    H1     G  17           H1         G  17  -1.901  -5.612  -0.274
  237   1H2     G  17          1H2         G  17  -3.052  -5.330  -2.136
  238   2H2     G  17          2H2         G  17  -4.800  -5.064  -2.010
  239   1H2*    G  17          1H2*        G  17  -7.938  -7.228   2.886
  240   2H2*    G  17          2H2*        G  17  -8.341  -6.746   1.217
  241   1H5*    T  18          1H5*        T  18  -8.782  -5.120  -0.704
  242   2H5*    T  18          2H5*        T  18  -9.884  -5.436  -2.038
  243    H4*    T  18           H4*        T  18  -7.841  -6.367  -2.769
  244    H3*    T  18           H3*        T  18  -9.649  -8.535  -1.971
  245   1H2*    T  18          1H2*        T  18  -7.896  -9.582  -0.994
  246   2H2*    T  18          2H2*        T  18  -7.345  -9.783  -2.691
  247    H1*    T  18           H1*        T  18  -5.871  -7.870  -2.535
  248    H3     T  18           H3         T  18  -2.153  -8.812  -0.210
  249   1H5M    T  18          1H7         T  18  -5.806 -10.186   3.140
  250   2H5M    T  18          2H7         T  18  -6.191  -8.447   3.251
  251   3H5M    T  18          3H7         T  18  -4.603  -9.033   3.791
  252    H6     T  18           H6         T  18  -6.823  -8.701   0.955
  253   1H5*    G  19          1H5*        G  19  -8.241 -11.799  -5.827
  254   2H5*    G  19          2H5*        G  19  -7.711 -11.439  -4.171
  255    H4*    G  19           H4*        G  19  -5.995 -10.866  -6.618
  256    H3*    G  19           H3*        G  19  -6.567 -13.458  -5.672
  257    H1*    G  19           H1*        G  19  -3.453 -11.536  -5.131
  258    H8     G  19           H8         G  19  -5.588 -11.363  -1.971
  259    H1     G  19           H1         G  19   0.784 -11.480  -1.001
  260   1H2     G  19          1H2         G  19   1.810 -11.448  -2.978
  261   2H2     G  19          2H2         G  19   0.875 -11.316  -4.441
  262   1H2*    G  19          1H2*        G  19  -5.520 -13.223  -3.683
  263   2H2*    G  19          2H2*        G  19  -4.173 -13.784  -4.623
  264   1H5*    G  20          1H5*        G  20  -2.825 -12.604  -8.523
  265   2H5*    G  20          2H5*        G  20  -2.947 -13.649  -9.933
  266    H4*    G  20           H4*        G  20  -0.704 -13.000  -9.587
  267    H3*    G  20           H3*        G  20  -1.202 -15.753  -9.825
  268    H1*    G  20           H1*        G  20   1.246 -14.340  -7.126
  269    H8     G  20           H8         G  20  -2.378 -14.590  -6.028
  270    H1     G  20           H1         G  20   1.917 -14.745  -1.231
  271   1H2     G  20          1H2         G  20   3.939 -14.472  -2.091
  272   2H2     G  20          2H2         G  20   4.111 -14.224  -3.834
  273    H3T    G  20           H3T        G  20   1.357 -14.432  -9.541
  274   1H2*    G  20          1H2*        G  20  -1.098 -16.221  -7.553
  275   2H2*    G  20          2H2*        G  20   0.623 -16.462  -7.969
  Start of MODEL    3
    1   1H5*    C   1          1H5*        C   1   7.937 -11.014   6.883
    2   2H5*    C   1          2H5*        C   1   6.248 -11.397   6.521
    3    H4*    C   1           H4*        C   1   8.633 -12.680   5.145
    4    H3*    C   1           H3*        C   1   7.694 -10.034   4.732
    5    H1*    C   1           H1*        C   1   6.957 -13.134   2.486
    6   1H4     C   1          1H4         C   1   0.420 -13.902   3.169
    7   2H4     C   1          2H4         C   1   0.835 -14.141   1.470
    8    H5     C   1           H5         C   1   2.045 -13.095   4.785
    9    H6     C   1           H6         C   1   4.465 -12.559   5.083
   10   1H2*    C   1          1H2*        C   1   5.772 -10.600   3.595
   11   2H2*    C   1          2H2*        C   1   6.836 -10.883   2.159
   12    H5T    C   1           H5T        C   1   6.510 -13.424   7.319
   13   1H5*    C   2          1H5*        C   2   8.874 -11.497   0.532
   14   2H5*    C   2          2H5*        C   2  10.171 -10.435  -0.018
   15    H4*    C   2           H4*        C   2   8.760 -10.687  -1.838
   16    H3*    C   2           H3*        C   2   8.975  -8.094  -0.705
   17    H1*    C   2           H1*        C   2   5.830  -9.503  -2.371
   18   1H4     C   2          1H4         C   2   1.459  -9.998   2.579
   19   2H4     C   2          2H4         C   2   0.751 -10.758   1.179
   20    H5     C   2           H5         C   2   3.745  -9.474   2.686
   21    H6     C   2           H6         C   2   5.815  -9.075   1.362
   22   1H2*    C   2          1H2*        C   2   6.853  -7.800  -0.097
   23   2H2*    C   2          2H2*        C   2   6.639  -7.400  -1.827
   24   1H5*    A   3          1H5*        A   3   5.552  -9.504  -5.118
   25   2H5*    A   3          2H5*        A   3   6.286  -8.413  -6.289
   26    H4*    A   3           H4*        A   3   3.951  -7.864  -6.152
   27    H3*    A   3           H3*        A   3   5.848  -5.852  -5.511
   28    H1*    A   3           H1*        A   3   2.324  -6.361  -4.439
   29    H8     A   3           H8         A   3   4.308  -6.146  -1.487
   30   1H6     A   3          1H6         A   3  -1.026  -8.134   1.343
   31   2H6     A   3          2H6         A   3   0.623  -7.739   1.798
   32    H2     A   3           2H         A   3  -1.542  -7.888  -2.913
   33   1H2*    A   3          1H2*        A   3   5.198  -5.889  -3.327
   34   2H2*    A   3          2H2*        A   3   4.156  -4.662  -3.958
   35   1H5*    C   4          1H5*        C   4   2.148  -6.967  -8.142
   36   2H5*    C   4          2H5*        C   4   1.586  -6.221  -9.634
   37    H4*    C   4           H4*        C   4  -0.285  -6.264  -8.231
   38    H3*    C   4           H3*        C   4   0.865  -3.580  -8.671
   39    H1*    C   4           H1*        C   4  -1.387  -5.343  -6.137
   40   1H4     C   4          1H4         C   4   0.924  -4.442  -0.120
   41   2H4     C   4          2H4         C   4  -0.659  -5.208  -0.087
   42    H5     C   4           H5         C   4   1.844  -3.769  -2.096
   43    H6     C   4           H6         C   4   1.671  -3.726  -4.506
   44   1H2*    C   4          1H2*        C   4   0.682  -3.068  -6.467
   45   2H2*    C   4          2H2*        C   4  -1.059  -2.990  -6.699
   46    H3*  HOB   5           H3*      HOL   5  -3.179   0.662  -9.566
   47   1H2*  HOB   5          1H2*      HOL   5  -2.712   3.050  -9.195
   48   2H2*  HOB   5          2H2*      HOL   5  -3.845   2.866  -7.862
   49    H1*  HOB   5           H1*      HOL   5  -1.776   2.337  -6.338
   50   1H2   HOB   5          1H2       HOL   5  -1.555   5.744  -6.881
   51   2H2   HOB   5          2H2       HOL   5  -2.207   4.424  -5.925
   52   1H3   HOB   5          1H3       HOL   5   0.487   5.694  -5.842
   53   2H3   HOB   5          2H3       HOL   5  -0.497   5.152  -4.487
   54   1H4   HOB   5          1H4       HOL   5   1.109   3.348  -6.370
   55   2H4   HOB   5          2H4       HOL   5   1.686   3.941  -4.813
   56    H5   HOB   5           H5       HOL   5  -0.648   2.692  -4.114
   57   9H    HOB   5          9H        HOL   5  -1.057   1.438  -2.739
   58   1H10  HOB   5          1H10      HOL   5  -0.041  -0.030  -1.235
   59   2H10  HOB   5          2H10      HOL   5  -0.565  -1.456  -2.120
   60   6H1   HOB   5          6H1       HOL   5  -1.212   0.335   0.748
   61   1H17  HOB   5          1H17      HOL   5  -3.786   1.062   1.064
   62   2H17  HOB   5          2H17      HOL   5  -3.109  -0.168   2.134
   63   8H1   HOB   5          8H1       HOL   5  -4.046  -1.940   0.733
   64   9H1   HOB   5          9H1       HOL   5  -4.969   0.435  -0.923
   65   1H20  HOB   5          1H20      HOL   5  -5.826  -2.421  -1.511
   66   2H20  HOB   5          2H20      HOL   5  -6.316  -0.947  -2.327
   67   1H21  HOB   5          1H21      HOL   5  -8.026  -1.858  -0.783
   68   2H21  HOB   5          2H21      HOL   5  -7.554  -0.215  -0.377
   69   1H24  HOB   5          1H24      HOL   5  -6.206  -3.531   2.090
   70   2H24  HOB   5          2H24      HOL   5  -5.628  -3.424   0.435
   71   3H24  HOB   5          3H24      HOL   5  -7.309  -3.821   0.750
   72   7H2   HOB   5          7H2       HOL   5  -8.253  -0.362   1.951
   73   1H26  HOB   5          1H26      HOL   5  -7.018  -2.322   3.906
   74   2H26  HOB   5          2H26      HOL   5  -7.406  -0.599   4.128
   75   1H25  HOB   5          1H25      HOL   5  -4.929  -1.814   3.203
   76   2H25  HOB   5          2H25      HOL   5  -5.252  -0.079   3.488
   77   3H2   HOB   5          3H2       HOL   5  -6.060   0.265   1.344
   78   8H2   HOB   5          8H2       HOL   5  -8.787  -3.262   2.696
   79   1H29  HOB   5          1H29      HOL   5 -10.880  -3.090   1.306
   80   2H29  HOB   5          2H29      HOL   5  -9.392  -3.224   0.387
   81   3H29  HOB   5          3H29      HOL   5 -10.180  -1.643   0.539
   82   1H30  HOB   5          1H30      HOL   5  -9.530  -1.544   4.341
   83   2H30  HOB   5          2H30      HOL   5 -10.813  -2.541   3.678
   84   1H31  HOB   5          1H31      HOL   5 -11.562  -0.725   2.215
   85   2H31  HOB   5          2H31      HOL   5 -10.207   0.291   2.745
   86   1H32  HOB   5          1H32      HOL   5 -11.083   0.335   5.028
   87   2H32  HOB   5          2H32      HOL   5 -12.347  -0.823   4.592
   88   3H3   HOB   5          3H3       HOL   5 -13.339   0.821   3.022
   89   1H34  HOB   5          1H34      HOL   5 -12.642   3.207   3.189
   90   2H34  HOB   5          2H34      HOL   5 -11.418   2.201   2.419
   91   3H34  HOB   5          3H34      HOL   5 -11.206   2.712   4.112
   92   1H35  HOB   5          1H35      HOL   5 -14.168   0.672   5.328
   93   2H35  HOB   5          2H35      HOL   5 -14.245   2.342   4.748
   94   3H35  HOB   5          3H35      HOL   5 -12.951   1.853   5.863
   95   1H15  HOB   5          1H15      HOL   5  -2.416  -2.475  -2.765
   96   2H15  HOB   5          2H15      HOL   5  -4.154  -2.554  -2.917
   97   3H15  HOB   5          3H15      HOL   5  -3.367  -2.977  -1.365
   98   1H13  HOB   5          1H13      HOL   5  -4.356  -0.379  -3.689
   99   2H13  HOB   5          2H13      HOL   5  -3.794   0.998  -2.774
  100   1H14  HOB   5          1H14      HOL   5  -2.073  -0.954  -4.362
  101   2H14  HOB   5          2H14      HOL   5  -2.370   0.731  -4.726
  102    H4*  HOB   5           H4*      HOL   5  -1.622   0.011  -7.147
  103   1H5*  HOB   5          1H5*      HOL   5  -0.963  -0.063 -10.113
  104   2H5*  HOB   5          2H5*      HOL   5   0.072  -0.726  -8.826
  105   1H5*    G   6          1H5*        G   6  -5.309   1.675  -5.546
  106   2H5*    G   6          2H5*        G   6  -6.762   0.678  -5.559
  107    H4*    G   6           H4*        G   6  -8.207   2.496  -5.697
  108    H3*    G   6           H3*        G   6  -6.682   3.839  -7.425
  109    H1*    G   6           H1*        G   6  -6.350   5.018  -3.653
  110    H8     G   6           H8         G   6  -3.492   2.907  -5.086
  111    H1     G   6           H1         G   6  -3.165   3.458   1.250
  112   1H2     G   6          1H2         G   6  -5.216   3.618   2.008
  113   2H2     G   6          2H2         G   6  -6.567   3.872   0.916
  114   1H2*    G   6          1H2*        G   6  -4.820   4.079  -6.102
  115   2H2*    G   6          2H2*        G   6  -5.491   5.655  -5.751
  116   1H5*    G   7          1H5*        G   7  -7.634   9.044  -6.748
  117   2H5*    G   7          2H5*        G   7  -5.965   8.806  -6.249
  118    H4*    G   7           H4*        G   7  -8.407   7.707  -4.830
  119    H3*    G   7           H3*        G   7  -7.573  10.311  -4.818
  120    H1*    G   7           H1*        G   7  -6.493   8.033  -2.025
  121    H8     G   7           H8         G   7  -4.024   7.983  -4.856
  122    H1     G   7           H1         G   7  -1.520   6.467   0.933
  123   1H2     G   7          1H2         G   7  -3.106   6.817   2.450
  124   2H2     G   7          2H2         G   7  -4.711   7.274   1.962
  125   1H2*    G   7          1H2*        G   7  -5.393   9.804  -4.255
  126   2H2*    G   7          2H2*        G   7  -6.032  10.300  -2.651
  127   1H5*    A   8          1H5*        A   8  -7.907   9.718  -0.292
  128   2H5*    A   8          2H5*        A   8  -8.704  11.129   0.397
  129    H4*    A   8           H4*        A   8  -6.719  10.787   1.618
  130    H3*    A   8           H3*        A   8  -6.694  13.246   0.029
  131    H1*    A   8           H1*        A   8  -4.206  11.056   1.649
  132    H8     A   8           H8         A   8  -3.814  10.859  -2.097
  133   1H6     A   8          1H6         A   8   1.905   8.658  -0.641
  134   2H6     A   8          2H6         A   8   1.019   9.281  -2.055
  135    H2     A   8           2H         A   8  -0.256   9.124   2.948
  136   1H2*    A   8          1H2*        A   8  -4.703  12.619  -0.887
  137   2H2*    A   8          2H2*        A   8  -4.042  13.263   0.573
  138   1H5*    A   9          1H5*        A   9  -6.076  13.949   5.830
  139   2H5*    A   9          2H5*        A   9  -5.000  14.020   4.436
  140    H4*    A   9           H4*        A   9  -5.071  11.655   6.326
  141    H3*    A   9           H3*        A   9  -4.247  14.113   7.150
  142    H1*    A   9           H1*        A   9  -1.643  11.914   5.631
  143    H8     A   9           H8         A   9  -3.276  13.977   2.817
  144   1H6     A   9          1H6         A   9   2.092  12.521  -0.133
  145   2H6     A   9          2H6         A   9   0.648  13.534  -0.330
  146    H2     A   9           2H         A   9   2.227  10.884   3.855
  147   1H2*    A   9          1H2*        A   9  -3.006  14.565   5.284
  148   2H2*    A   9          2H2*        A   9  -1.766  14.070   6.490
  149   1H5*    C  10          1H5*        C  10  -0.690  11.358   8.102
  150   2H5*    C  10          2H5*        C  10  -0.134  11.605   9.758
  151    H4*    C  10           H4*        C  10   1.840  11.544   8.453
  152    H3*    C  10           H3*        C  10   1.067  14.330   9.204
  153    H1*    C  10           H1*        C  10   3.136  12.734   6.490
  154   1H4     C  10          1H4         C  10   0.928  16.478   1.537
  155   2H4     C  10          2H4         C  10   2.466  15.728   1.050
  156    H5     C  10           H5         C  10  -0.133  15.858   3.694
  157    H6     C  10           H6         C  10   0.228  14.729   5.768
  158    H3T    C  10           H3T        C  10   3.684  13.120   9.229
  159   1H2*    C  10          1H2*        C  10   1.794  15.283   7.388
  160   2H2*    C  10          2H2*        C  10   3.434  14.627   7.630
  161   1H5*    G  11          1H5*        G  11  10.383  11.912  -5.554
  162   2H5*    G  11          2H5*        G  11   8.856  12.424  -4.841
  163    H4*    G  11           H4*        G  11  11.622  12.680  -3.569
  164    H3*    G  11           H3*        G  11  10.093  10.350  -3.733
  165    H1*    G  11           H1*        G  11   9.435  12.731  -0.623
  166    H8     G  11           H8         G  11   7.351  13.394  -3.747
  167    H1     G  11           H1         G  11   4.351  14.333   1.887
  168   1H2     G  11          1H2         G  11   5.730  13.534   3.490
  169   2H2     G  11          2H2         G  11   7.397  13.046   3.049
  170   1H2*    G  11          1H2*        G  11   8.247  10.973  -2.594
  171   2H2*    G  11          2H2*        G  11   9.260  10.720  -1.118
  172    H5T    G  11           H5T        G  11  11.077  14.192  -5.267
  173   1H5*    T  12          1H5*        T  12  10.754   7.234   0.228
  174   2H5*    T  12          2H5*        T  12   9.356   8.030  -0.520
  175    H4*    T  12           H4*        T  12  10.390   8.627   2.260
  176    H3*    T  12           H3*        T  12   9.061   6.360   1.545
  177   1H2*    T  12          1H2*        T  12   7.208   7.457   0.833
  178   2H2*    T  12          2H2*        T  12   6.734   7.317   2.577
  179    H1*    T  12           H1*        T  12   7.355   9.406   3.061
  180    H3     T  12           H3         T  12   3.423  11.158   1.402
  181   1H5M    T  12          1H7         T  12   6.018  11.181  -2.841
  182   2H5M    T  12          2H7         T  12   4.886   9.806  -2.929
  183   3H5M    T  12          3H7         T  12   6.625   9.531  -2.665
  184    H6     T  12           H6         T  12   7.496   9.446  -0.525
  185   1H5*    T  13          1H5*        T  13   7.800   7.895   5.809
  186   2H5*    T  13          2H5*        T  13   8.048   6.550   6.918
  187    H4*    T  13           H4*        T  13   6.200   7.989   7.569
  188    H3*    T  13           H3*        T  13   6.028   5.313   7.768
  189   1H2*    T  13          1H2*        T  13   5.065   5.029   5.713
  190   2H2*    T  13          2H2*        T  13   3.559   5.059   6.663
  191    H1*    T  13           H1*        T  13   3.187   7.335   6.196
  192    H3     T  13           H3         T  13   1.814   8.471   2.021
  193   1H5M    T  13          1H7         T  13   6.229   5.435   1.677
  194   2H5M    T  13          2H7         T  13   5.535   6.194   0.255
  195   3H5M    T  13          3H7         T  13   4.874   4.630   0.832
  196    H6     T  13           H6         T  13   5.231   5.605   3.783
  197   1H5*    C  14          1H5*        C  14   2.200   7.761   8.400
  198   2H5*    C  14          2H5*        C  14   1.439   7.282   9.918
  199    H4*    C  14           H4*        C  14  -0.283   7.900   8.426
  200    H3*    C  14           H3*        C  14  -0.211   5.252   9.459
  201    H1*    C  14           H1*        C  14  -1.665   6.598   6.341
  202   1H4     C  14          1H4         C  14   1.563   4.664   0.907
  203   2H4     C  14          2H4         C  14   0.213   5.643   0.375
  204    H5     C  14           H5         C  14   2.102   4.317   3.138
  205    H6     C  14           H6         C  14   1.348   4.667   5.544
  206   1H2*    C  14          1H2*        C  14   0.106   4.339   7.329
  207   2H2*    C  14          2H2*        C  14  -1.703   4.426   7.313
  208   1H5*    C  15          1H5*        C  15  -3.821   2.911  10.321
  209   2H5*    C  15          2H5*        C  15  -2.674   3.156   8.995
  210    H4*    C  15           H4*        C  15  -5.695   3.171   8.497
  211    H3*    C  15           H3*        C  15  -4.114   0.926   9.248
  212    H1*    C  15           H1*        C  15  -5.377   1.872   5.739
  213   1H4     C  15          1H4         C  15   0.373   2.124   2.490
  214   2H4     C  15          2H4         C  15  -0.918   2.655   1.399
  215    H5     C  15           H5         C  15  -0.011   1.860   4.867
  216    H6     C  15           H6         C  15  -1.734   1.638   6.567
  217   1H2*    C  15          1H2*        C  15  -3.479   0.252   7.177
  218   2H2*    C  15          2H2*        C  15  -5.237   0.114   6.796
  219   1H5*    G  16          1H5*        G  16  -6.329  -3.270   9.150
  220   2H5*    G  16          2H5*        G  16  -4.874  -2.487   8.513
  221    H4*    G  16           H4*        G  16  -7.197  -3.378   6.759
  222    H3*    G  16           H3*        G  16  -5.593  -5.200   8.161
  223    H1*    G  16           H1*        G  16  -4.520  -3.973   4.504
  224    H8     G  16           H8         G  16  -2.919  -2.501   7.709
  225    H1     G  16           H1         G  16   0.287  -1.370   2.239
  226   1H2     G  16          1H2         G  16  -0.579  -2.502   0.692
  227   2H2     G  16          2H2         G  16  -1.928  -3.597   1.044
  228   1H2*    G  16          1H2*        G  16  -3.557  -4.837   7.233
  229   2H2*    G  16          2H2*        G  16  -4.093  -5.745   5.890
  230   1H5*    G  17          1H5*        G  17  -9.750  -7.994   5.190
  231   2H5*    G  17          2H5*        G  17  -8.049  -7.759   4.767
  232    H4*    G  17           H4*        G  17 -10.177  -5.923   3.745
  233    H3*    G  17           H3*        G  17 -10.463  -8.502   2.955
  234    H1*    G  17           H1*        G  17  -8.300  -6.185   0.848
  235    H8     G  17           H8         G  17  -6.418  -6.898   3.897
  236    H1     G  17           H1         G  17  -2.743  -5.358  -1.167
  237   1H2     G  17          1H2         G  17  -4.027  -5.301  -2.944
  238   2H2     G  17          2H2         G  17  -5.744  -5.705  -2.843
  239   1H2*    G  17          1H2*        G  17  -8.066  -8.652   2.596
  240   2H2*    G  17          2H2*        G  17  -8.708  -8.508   0.932
  241   1H5*    T  18          1H5*        T  18  -9.566  -6.903  -1.225
  242   2H5*    T  18          2H5*        T  18 -10.663  -7.634  -2.396
  243    H4*    T  18           H4*        T  18  -8.490  -8.207  -3.168
  244    H3*    T  18           H3*        T  18  -9.782 -10.543  -1.942
  245   1H2*    T  18          1H2*        T  18  -7.812 -11.150  -1.068
  246   2H2*    T  18          2H2*        T  18  -7.282 -11.335  -2.781
  247    H1*    T  18           H1*        T  18  -6.202  -9.185  -2.788
  248    H3     T  18           H3         T  18  -2.477  -8.640  -0.362
  249   1H5M    T  18          1H7         T  18  -5.107  -9.276   3.556
  250   2H5M    T  18          2H7         T  18  -5.018 -11.024   3.163
  251   3H5M    T  18          3H7         T  18  -6.523 -10.110   2.918
  252    H6     T  18           H6         T  18  -6.905 -10.155   0.739
  253   1H5*    G  19          1H5*        G  19  -7.547 -13.675  -5.847
  254   2H5*    G  19          2H5*        G  19  -7.133 -13.124  -4.213
  255    H4*    G  19           H4*        G  19  -5.755 -12.020  -6.680
  256    H3*    G  19           H3*        G  19  -5.487 -14.646  -5.792
  257    H1*    G  19           H1*        G  19  -3.111 -11.899  -5.127
  258    H8     G  19           H8         G  19  -5.254 -12.478  -2.031
  259    H1     G  19           H1         G  19   0.824 -10.651  -0.858
  260   1H2     G  19          1H2         G  19   1.846 -10.354  -2.809
  261   2H2     G  19          2H2         G  19   0.903 -10.347  -4.289
  262   1H2*    G  19          1H2*        G  19  -4.760 -14.047  -3.728
  263   2H2*    G  19          2H2*        G  19  -3.252 -14.290  -4.548
  264   1H5*    G  20          1H5*        G  20  -1.830 -12.431  -7.930
  265   2H5*    G  20          2H5*        G  20  -1.520 -13.392  -9.377
  266    H4*    G  20           H4*        G  20   0.474 -12.278  -8.761
  267    H3*    G  20           H3*        G  20   0.473 -15.102  -9.043
  268    H1*    G  20           H1*        G  20   2.428 -13.263  -6.183
  269    H8     G  20           H8         G  20  -1.121 -14.390  -5.480
  270    H1     G  20           H1         G  20   2.570 -13.737  -0.220
  271   1H2     G  20          1H2         G  20   4.623 -13.200  -0.880
  272   2H2     G  20          2H2         G  20   4.947 -12.951  -2.596
  273    H3T    G  20           H3T        G  20   1.910 -13.499 -10.011
  274   1H2*    G  20          1H2*        G  20   0.644 -15.614  -6.820
  275   2H2*    G  20          2H2*        G  20   2.390 -15.407  -7.133
  Start of MODEL    4
    1   1H5*    C   1          1H5*        C   1   8.827 -13.077   5.078
    2   2H5*    C   1          2H5*        C   1   7.104 -13.316   4.754
    3    H4*    C   1           H4*        C   1   9.368 -14.458   3.072
    4    H3*    C   1           H3*        C   1   8.578 -11.775   3.163
    5    H1*    C   1           H1*        C   1   7.185 -14.330   0.493
    6   1H4     C   1          1H4         C   1   0.827 -14.120   2.413
    7   2H4     C   1          2H4         C   1   0.889 -14.397   0.665
    8    H5     C   1           H5         C   1   2.836 -14.113   3.759
    9    H6     C   1           H6         C   1   5.312 -14.044   3.646
   10   1H2*    C   1          1H2*        C   1   6.487 -11.997   2.243
   11   2H2*    C   1          2H2*        C   1   7.296 -12.077   0.641
   12    H5T    C   1           H5T        C   1   7.426 -15.573   5.013
   13   1H5*    C   2          1H5*        C   2   8.965 -12.606  -1.300
   14   2H5*    C   2          2H5*        C   2  10.270 -11.566  -1.879
   15    H4*    C   2           H4*        C   2   8.610 -11.366  -3.489
   16    H3*    C   2           H3*        C   2   9.206  -9.055  -1.919
   17    H1*    C   2           H1*        C   2   5.741  -9.938  -3.310
   18   1H4     C   2          1H4         C   2   2.100 -10.795   2.133
   19   2H4     C   2          2H4         C   2   1.097 -11.266   0.805
   20    H5     C   2           H5         C   2   4.444 -10.544   1.949
   21    H6     C   2           H6         C   2   6.306 -10.108   0.371
   22   1H2*    C   2          1H2*        C   2   7.222  -8.736  -0.991
   23   2H2*    C   2          2H2*        C   2   6.791  -8.029  -2.566
   24   1H5*    A   3          1H5*        A   3   5.375  -9.006  -6.306
   25   2H5*    A   3          2H5*        A   3   6.107  -7.540  -6.962
   26    H4*    A   3           H4*        A   3   3.804  -7.118  -6.350
   27    H3*    A   3           H3*        A   3   5.927  -5.564  -5.261
   28    H1*    A   3           H1*        A   3   2.443  -6.350  -4.118
   29    H8     A   3           H8         A   3   4.630  -6.806  -1.389
   30   1H6     A   3          1H6         A   3  -0.708  -8.706   1.433
   31   2H6     A   3          2H6         A   3   0.976  -8.324   1.807
   32    H2     A   3           2H         A   3  -1.308  -8.259  -2.838
   33   1H2*    A   3          1H2*        A   3   5.408  -6.167  -3.167
   34   2H2*    A   3          2H2*        A   3   4.312  -4.825  -3.344
   35   1H5*    C   4          1H5*        C   4   2.534  -6.087  -7.735
   36   2H5*    C   4          2H5*        C   4   1.907  -5.225  -9.128
   37    H4*    C   4           H4*        C   4   0.010  -5.748  -7.879
   38    H3*    C   4           H3*        C   4   0.713  -2.904  -7.854
   39    H1*    C   4           H1*        C   4  -1.225  -5.240  -5.576
   40   1H4     C   4          1H4         C   4   1.124  -4.994   0.510
   41   2H4     C   4          2H4         C   4  -0.418  -5.872   0.465
   42    H5     C   4           H5         C   4   2.020  -4.194  -1.383
   43    H6     C   4           H6         C   4   1.826  -3.809  -3.759
   44   1H2*    C   4          1H2*        C   4   0.770  -2.866  -5.557
   45   2H2*    C   4          2H2*        C   4  -0.995  -2.781  -5.679
   46    H3*  HOB   5           H3*      HOL   5  -3.139  -0.239  -8.811
   47   1H2*  HOB   5          1H2*      HOL   5  -2.367   2.136  -8.673
   48   2H2*  HOB   5          2H2*      HOL   5  -3.049   1.916  -7.058
   49    H1*  HOB   5           H1*      HOL   5  -0.632   1.204  -6.293
   50   1H2   HOB   5          1H2       HOL   5  -0.951   4.713  -6.648
   51   2H2   HOB   5          2H2       HOL   5  -1.275   3.289  -5.657
   52   1H3   HOB   5          1H3       HOL   5   1.373   4.698  -6.040
   53   2H3   HOB   5          2H3       HOL   5   0.504   4.450  -4.527
   54   1H4   HOB   5          1H4       HOL   5   1.872   2.306  -6.222
   55   2H4   HOB   5          2H4       HOL   5   2.524   3.010  -4.746
   56    H5   HOB   5           H5       HOL   5   0.334   2.029  -3.675
   57   9H    HOB   5          9H        HOL   5  -0.352   0.876  -2.401
   58   1H10  HOB   5          1H10      HOL   5   0.606  -0.740  -0.890
   59   2H10  HOB   5          2H10      HOL   5  -0.205  -2.060  -1.708
   60   6H1   HOB   5          6H1       HOL   5  -0.395  -0.446   1.274
   61   1H17  HOB   5          1H17      HOL   5  -2.652   0.851   1.754
   62   2H17  HOB   5          2H17      HOL   5  -2.330  -0.590   2.710
   63   8H1   HOB   5          8H1       HOL   5  -3.785  -1.933   1.286
   64   9H1   HOB   5          9H1       HOL   5  -3.936   0.669  -0.277
   65   1H20  HOB   5          1H20      HOL   5  -5.640  -1.730  -1.001
   66   2H20  HOB   5          2H20      HOL   5  -5.632  -0.133  -1.730
   67   1H21  HOB   5          1H21      HOL   5  -7.544  -0.491  -0.244
   68   2H21  HOB   5          2H21      HOL   5  -6.554   0.875   0.258
   69   1H24  HOB   5          1H24      HOL   5  -6.487  -2.833   2.519
   70   2H24  HOB   5          2H24      HOL   5  -5.807  -2.840   0.899
   71   3H24  HOB   5          3H24      HOL   5  -7.544  -2.648   1.122
   72   7H2   HOB   5          7H2       HOL   5  -7.258   0.847   2.595
   73   1H26  HOB   5          1H26      HOL   5  -6.801  -1.521   4.442
   74   2H26  HOB   5          2H26      HOL   5  -6.582   0.216   4.749
   75   1H25  HOB   5          1H25      HOL   5  -4.669  -1.735   3.704
   76   2H25  HOB   5          2H25      HOL   5  -4.365  -0.025   4.127
   77   3H2   HOB   5          3H2       HOL   5  -5.020   0.742   2.025
   78   8H2   HOB   5          8H2       HOL   5  -8.807  -1.733   3.071
   79   1H29  HOB   5          1H29      HOL   5  -9.422   0.515   1.119
   80   2H29  HOB   5          2H29      HOL   5 -10.655  -0.600   1.752
   81   3H29  HOB   5          3H29      HOL   5  -9.325  -1.230   0.808
   82   1H30  HOB   5          1H30      HOL   5  -9.069  -0.250   4.937
   83   2H30  HOB   5          2H30      HOL   5 -10.536  -0.291   3.991
   84   1H31  HOB   5          1H31      HOL   5  -9.560   1.916   2.856
   85   2H31  HOB   5          2H31      HOL   5  -8.525   1.959   4.289
   86   1H32  HOB   5          1H32      HOL   5 -10.483   2.098   5.740
   87   2H32  HOB   5          2H32      HOL   5 -11.560   1.786   4.370
   88   3H3   HOB   5          3H3       HOL   5 -10.943   3.910   3.317
   89   1H34  HOB   5          1H34      HOL   5  -8.679   4.289   4.158
   90   2H34  HOB   5          2H34      HOL   5  -9.284   4.400   5.826
   91   3H34  HOB   5          3H34      HOL   5  -9.716   5.639   4.630
   92   1H35  HOB   5          1H35      HOL   5 -12.128   5.378   4.874
   93   2H35  HOB   5          2H35      HOL   5 -11.825   4.249   6.214
   94   3H35  HOB   5          3H35      HOL   5 -12.877   3.772   4.864
   95   1H15  HOB   5          1H15      HOL   5  -2.263  -2.892  -2.027
   96   2H15  HOB   5          2H15      HOL   5  -3.996  -2.642  -2.120
   97   3H15  HOB   5          3H15      HOL   5  -3.222  -3.051  -0.562
   98   1H13  HOB   5          1H13      HOL   5  -3.833  -0.562  -3.108
   99   2H13  HOB   5          2H13      HOL   5  -3.051   0.785  -2.328
  100   1H14  HOB   5          1H14      HOL   5  -1.694  -1.495  -3.798
  101   2H14  HOB   5          2H14      HOL   5  -1.795   0.189  -4.304
  102    H4*  HOB   5           H4*      HOL   5  -0.645  -1.074  -7.599
  103   1H5*  HOB   5          1H5*      HOL   5  -1.046  -0.192 -10.470
  104   2H5*  HOB   5          2H5*      HOL   5   0.184  -1.308  -9.890
  105   1H5*    G   6          1H5*        G   6  -6.113  -0.048  -4.273
  106   2H5*    G   6          2H5*        G   6  -6.841   0.186  -5.854
  107    H4*    G   6           H4*        G   6  -7.623   1.896  -4.555
  108    H3*    G   6           H3*        G   6  -6.312   2.713  -6.799
  109    H1*    G   6           H1*        G   6  -5.716   4.503  -3.422
  110    H8     G   6           H8         G   6  -2.753   2.457  -4.568
  111    H1     G   6           H1         G   6  -2.772   3.582   1.697
  112   1H2     G   6          1H2         G   6  -4.867   3.834   2.272
  113   2H2     G   6          2H2         G   6  -6.076   4.174   1.058
  114   1H2*    G   6          1H2*        G   6  -4.290   3.140  -5.745
  115   2H2*    G   6          2H2*        G   6  -4.947   4.781  -5.672
  116   1H5*    G   7          1H5*        G   7  -7.464   7.819  -7.499
  117   2H5*    G   7          2H5*        G   7  -5.763   7.735  -7.054
  118    H4*    G   7           H4*        G   7  -8.129   7.423  -5.183
  119    H3*    G   7           H3*        G   7  -6.911   9.742  -6.172
  120    H1*    G   7           H1*        G   7  -6.383   8.279  -2.670
  121    H8     G   7           H8         G   7  -3.681   7.346  -5.092
  122    H1     G   7           H1         G   7  -1.840   6.899   1.112
  123   1H2     G   7          1H2         G   7  -3.623   7.371   2.371
  124   2H2     G   7          2H2         G   7  -5.135   7.822   1.575
  125   1H2*    G   7          1H2*        G   7  -4.878   9.299  -5.139
  126   2H2*    G   7          2H2*        G   7  -5.624  10.270  -3.839
  127   1H5*    A   8          1H5*        A   8  -7.820  10.168  -1.856
  128   2H5*    A   8          2H5*        A   8  -8.592  11.688  -1.401
  129    H4*    A   8           H4*        A   8  -6.854  11.281   0.156
  130    H3*    A   8           H3*        A   8  -6.505  13.613  -1.532
  131    H1*    A   8           H1*        A   8  -4.327  11.530   0.542
  132    H8     A   8           H8         A   8  -3.468  10.761  -3.020
  133   1H6     A   8          1H6         A   8   1.904   8.602  -0.503
  134   2H6     A   8          2H6         A   8   1.167   8.911  -2.096
  135    H2     A   8           2H         A   8  -0.579   9.903   2.656
  136   1H2*    A   8          1H2*        A   8  -4.419  12.795  -2.199
  137   2H2*    A   8          2H2*        A   8  -3.917  13.596  -0.752
  138   1H5*    A   9          1H5*        A   9  -6.595  15.040   4.118
  139   2H5*    A   9          2H5*        A   9  -5.362  14.877   2.859
  140    H4*    A   9           H4*        A   9  -5.883  12.699   4.912
  141    H3*    A   9           H3*        A   9  -4.976  15.092   5.754
  142    H1*    A   9           H1*        A   9  -2.382  12.669   4.680
  143    H8     A   9           H8         A   9  -3.481  14.500   1.506
  144   1H6     A   9          1H6         A   9   2.205  12.459  -0.374
  145   2H6     A   9          2H6         A   9   0.745  13.229  -1.031
  146    H2     A   9           2H         A   9   1.795  11.789   3.863
  147   1H2*    A   9          1H2*        A   9  -3.497  15.378   4.031
  148   2H2*    A   9          2H2*        A   9  -2.442  14.865   5.393
  149   1H5*    C  10          1H5*        C  10  -1.478  12.474   7.396
  150   2H5*    C  10          2H5*        C  10  -1.273  12.985   9.075
  151    H4*    C  10           H4*        C  10   0.890  13.090   8.193
  152    H3*    C  10           H3*        C  10  -0.382  15.800   8.248
  153    H1*    C  10           H1*        C  10   2.410  14.103   6.288
  154   1H4     C  10          1H4         C  10   0.833  16.666   0.462
  155   2H4     C  10          2H4         C  10   2.488  16.044   0.325
  156    H5     C  10           H5         C  10  -0.514  16.333   2.458
  157    H6     C  10           H6         C  10  -0.460  15.638   4.744
  158    H3T    C  10           H3T        C  10   2.199  14.863   9.177
  159   1H2*    C  10          1H2*        C  10   0.701  16.580   6.516
  160   2H2*    C  10          2H2*        C  10   2.282  16.126   7.200
  161   1H5*    G  11          1H5*        G  11  11.352  11.421  -4.220
  162   2H5*    G  11          2H5*        G  11   9.746  12.119  -3.971
  163    H4*    G  11           H4*        G  11  12.124  12.421  -2.103
  164    H3*    G  11           H3*        G  11  10.645  10.035  -2.349
  165    H1*    G  11           H1*        G  11   9.411  12.704   0.303
  166    H8     G  11           H8         G  11   7.850  12.743  -3.231
  167    H1     G  11           H1         G  11   4.143  14.846   1.605
  168   1H2     G  11          1H2         G  11   5.263  14.468   3.534
  169   2H2     G  11          2H2         G  11   6.904  13.807   3.454
  170   1H2*    G  11          1H2*        G  11   8.626  10.680  -1.605
  171   2H2*    G  11          2H2*        G  11   9.401  10.640   0.032
  172    H5T    G  11           H5T        G  11  10.547  13.860  -4.860
  173   1H5*    T  12          1H5*        T  12  10.614   7.271   1.661
  174   2H5*    T  12          2H5*        T  12   9.434   8.195   0.715
  175    H4*    T  12           H4*        T  12  10.166   8.866   3.574
  176    H3*    T  12           H3*        T  12   8.868   6.550   3.073
  177   1H2*    T  12          1H2*        T  12   7.138   7.604   1.994
  178   2H2*    T  12          2H2*        T  12   6.479   7.631   3.685
  179    H1*    T  12           H1*        T  12   7.076   9.779   4.015
  180    H3     T  12           H3         T  12   3.419  11.507   1.688
  181   1H5M    T  12          1H7         T  12   6.355  10.779  -2.217
  182   2H5M    T  12          2H7         T  12   5.312   9.337  -2.183
  183   3H5M    T  12          3H7         T  12   7.031   9.234  -1.708
  184    H6     T  12           H6         T  12   7.571   9.361   0.483
  185   1H5*    T  13          1H5*        T  13   7.067   8.629   7.051
  186   2H5*    T  13          2H5*        T  13   7.069   7.362   8.282
  187    H4*    T  13           H4*        T  13   5.107   8.768   8.453
  188    H3*    T  13           H3*        T  13   4.901   6.063   8.628
  189   1H2*    T  13          1H2*        T  13   4.309   5.790   6.465
  190   2H2*    T  13          2H2*        T  13   2.668   5.870   7.142
  191    H1*    T  13           H1*        T  13   2.457   8.179   6.592
  192    H3     T  13           H3         T  13   1.573   8.878   2.138
  193   1H5M    T  13          1H7         T  13   5.959   5.763   2.694
  194   2H5M    T  13          2H7         T  13   5.539   6.472   1.139
  195   3H5M    T  13          3H7         T  13   4.683   5.003   1.703
  196    H6     T  13           H6         T  13   4.806   6.314   4.602
  197   1H5*    C  14          1H5*        C  14   1.030   8.660   8.614
  198   2H5*    C  14          2H5*        C  14   0.231   8.282  10.141
  199    H4*    C  14           H4*        C  14  -1.462   8.939   8.695
  200    H3*    C  14           H3*        C  14  -1.599   6.414   9.840
  201    H1*    C  14           H1*        C  14  -2.806   7.249   6.444
  202   1H4     C  14          1H4         C  14   1.295   5.302   1.693
  203   2H4     C  14          2H4         C  14  -0.081   5.969   0.839
  204    H5     C  14           H5         C  14   1.606   5.331   3.928
  205    H6     C  14           H6         C  14   0.528   5.737   6.165
  206   1H2*    C  14          1H2*        C  14  -0.840   5.395   7.819
  207   2H2*    C  14          2H2*        C  14  -2.623   5.196   7.644
  208   1H5*    C  15          1H5*        C  15  -4.932   4.046  10.649
  209   2H5*    C  15          2H5*        C  15  -3.608   4.253   9.488
  210    H4*    C  15           H4*        C  15  -6.452   3.499   8.652
  211    H3*    C  15           H3*        C  15  -4.235   1.890   9.685
  212    H1*    C  15           H1*        C  15  -5.629   2.209   6.078
  213   1H4     C  15          1H4         C  15   0.373   2.926   3.356
  214   2H4     C  15          2H4         C  15  -0.840   3.027   2.112
  215    H5     C  15           H5         C  15  -0.234   2.662   5.727
  216    H6     C  15           H6         C  15  -2.072   2.384   7.263
  217   1H2*    C  15          1H2*        C  15  -3.711   0.839   7.744
  218   2H2*    C  15          2H2*        C  15  -5.453   0.605   7.375
  219   1H5*    G  16          1H5*        G  16  -6.591  -3.025   9.621
  220   2H5*    G  16          2H5*        G  16  -4.943  -2.523   9.218
  221    H4*    G  16           H4*        G  16  -7.193  -3.103   7.231
  222    H3*    G  16           H3*        G  16  -5.638  -4.936   8.679
  223    H1*    G  16           H1*        G  16  -4.426  -3.687   5.118
  224    H8     G  16           H8         G  16  -3.071  -1.911   8.254
  225    H1     G  16           H1         G  16   0.907  -1.656   3.201
  226   1H2     G  16          1H2         G  16   0.309  -3.295   1.802
  227   2H2     G  16          2H2         G  16  -1.202  -4.150   2.040
  228   1H2*    G  16          1H2*        G  16  -3.571  -4.381   7.955
  229   2H2*    G  16          2H2*        G  16  -3.918  -5.370   6.577
  230   1H5*    G  17          1H5*        G  17  -9.917  -7.276   5.429
  231   2H5*    G  17          2H5*        G  17  -8.224  -7.239   4.939
  232    H4*    G  17           H4*        G  17 -10.309  -5.264   4.046
  233    H3*    G  17           H3*        G  17 -10.341  -7.779   3.051
  234    H1*    G  17           H1*        G  17  -8.126  -5.146   1.334
  235    H8     G  17           H8         G  17  -6.519  -6.124   4.476
  236    H1     G  17           H1         G  17  -2.446  -5.709  -0.505
  237   1H2     G  17          1H2         G  17  -3.653  -5.453  -2.323
  238   2H2     G  17          2H2         G  17  -5.416  -5.399  -2.193
  239   1H2*    G  17          1H2*        G  17  -7.983  -7.785   2.836
  240   2H2*    G  17          2H2*        G  17  -8.443  -7.474   1.141
  241   1H5*    T  18          1H5*        T  18  -9.127  -6.190  -0.959
  242   2H5*    T  18          2H5*        T  18 -10.248  -6.829  -2.166
  243    H4*    T  18           H4*        T  18  -8.143  -7.545  -2.981
  244    H3*    T  18           H3*        T  18  -9.757  -9.660  -1.843
  245   1H2*    T  18          1H2*        T  18  -7.985 -10.314  -0.565
  246   2H2*    T  18          2H2*        T  18  -7.482 -10.971  -2.158
  247    H1*    T  18           H1*        T  18  -6.046  -8.989  -2.532
  248    H3     T  18           H3         T  18  -2.194  -8.915  -0.165
  249   1H5M    T  18          1H7         T  18  -4.506  -9.244   3.895
  250   2H5M    T  18          2H7         T  18  -5.773 -10.367   3.336
  251   3H5M    T  18          3H7         T  18  -6.087  -8.618   3.375
  252    H6     T  18           H6         T  18  -6.813  -9.312   1.116
  253   1H5*    G  19          1H5*        G  19  -8.208 -13.425  -5.083
  254   2H5*    G  19          2H5*        G  19  -7.804 -12.500  -3.643
  255    H4*    G  19           H4*        G  19  -6.224 -12.056  -6.188
  256    H3*    G  19           H3*        G  19  -6.452 -14.544  -4.808
  257    H1*    G  19           H1*        G  19  -3.580 -12.158  -4.811
  258    H8     G  19           H8         G  19  -5.472 -12.069  -1.507
  259    H1     G  19           H1         G  19   0.926 -11.271  -1.101
  260   1H2     G  19          1H2         G  19   1.745 -11.203  -3.203
  261   2H2     G  19          2H2         G  19   0.594 -11.394  -4.527
  262   1H2*    G  19          1H2*        G  19  -5.304 -13.906  -3.022
  263   2H2*    G  19          2H2*        G  19  -3.946 -14.397  -3.974
  264   1H5*    G  20          1H5*        G  20  -3.380 -14.227  -8.568
  265   2H5*    G  20          2H5*        G  20  -3.458 -15.751  -9.441
  266    H4*    G  20           H4*        G  20  -1.265 -14.818  -9.593
  267    H3*    G  20           H3*        G  20  -1.665 -17.477  -8.598
  268    H1*    G  20           H1*        G  20   1.039 -14.960  -7.168
  269    H8     G  20           H8         G  20  -2.353 -15.302  -5.562
  270    H1     G  20           H1         G  20   2.360 -14.272  -1.301
  271   1H2     G  20          1H2         G  20   4.255 -14.100  -2.390
  272   2H2     G  20          2H2         G  20   4.296 -14.175  -4.167
  273    H3T    G  20           H3T        G  20   0.637 -16.174  -9.769
  274   1H2*    G  20          1H2*        G  20  -0.796 -17.247  -6.552
  275   2H2*    G  20          2H2*        G  20   0.790 -17.252  -7.358
  Start of MODEL    5
    1   1H5*    C   1          1H5*        C   1   7.794 -12.485   6.311
    2   2H5*    C   1          2H5*        C   1   6.159 -12.486   5.662
    3    H4*    C   1           H4*        C   1   8.559 -13.927   4.467
    4    H3*    C   1           H3*        C   1   7.935 -11.225   4.304
    5    H1*    C   1           H1*        C   1   6.704 -13.813   1.565
    6   1H4     C   1          1H4         C   1   0.228 -13.695   2.889
    7   2H4     C   1          2H4         C   1   0.456 -14.007   1.148
    8    H5     C   1           H5         C   1   2.067 -13.257   4.352
    9    H6     C   1           H6         C   1   4.533 -13.109   4.475
   10   1H2*    C   1          1H2*        C   1   6.000 -11.344   3.095
   11   2H2*    C   1          2H2*        C   1   7.026 -11.599   1.627
   12    H5T    C   1           H5T        C   1   6.264 -14.887   5.921
   13   1H5*    C   2          1H5*        C   2   9.262 -12.130  -0.162
   14   2H5*    C   2          2H5*        C   2  10.511 -10.934  -0.496
   15    H4*    C   2           H4*        C   2   9.099 -11.105  -2.411
   16    H3*    C   2           H3*        C   2   9.477  -8.620  -1.159
   17    H1*    C   2           H1*        C   2   6.166  -9.714  -2.721
   18   1H4     C   2          1H4         C   2   2.066  -9.916   2.373
   19   2H4     C   2          2H4         C   2   1.138 -10.666   1.099
   20    H5     C   2           H5         C   2   4.302  -9.695   2.394
   21    H6     C   2           H6         C   2   6.363  -9.514   1.015
   22   1H2*    C   2          1H2*        C   2   7.418  -8.282  -0.394
   23   2H2*    C   2          2H2*        C   2   7.115  -7.730  -2.064
   24   1H5*    A   3          1H5*        A   3   5.968  -9.165  -5.889
   25   2H5*    A   3          2H5*        A   3   6.780  -7.766  -6.618
   26    H4*    A   3           H4*        A   3   4.387  -7.331  -6.250
   27    H3*    A   3           H3*        A   3   6.373  -5.541  -5.251
   28    H1*    A   3           H1*        A   3   2.866  -6.352  -4.233
   29    H8     A   3           H8         A   3   4.859  -6.379  -1.328
   30   1H6     A   3          1H6         A   3  -0.662  -8.101   1.302
   31   2H6     A   3          2H6         A   3   0.976  -7.676   1.781
   32    H2     A   3           2H         A   3  -0.924  -8.196  -3.020
   33   1H2*    A   3          1H2*        A   3   5.763  -5.964  -3.120
   34   2H2*    A   3          2H2*        A   3   4.641  -4.686  -3.513
   35   1H5*    C   4          1H5*        C   4   3.303  -6.265  -7.985
   36   2H5*    C   4          2H5*        C   4   2.758  -5.429  -9.442
   37    H4*    C   4           H4*        C   4   0.831  -6.305  -8.357
   38    H3*    C   4           H3*        C   4   1.149  -3.464  -8.659
   39    H1*    C   4           H1*        C   4  -0.727  -5.582  -6.137
   40   1H4     C   4          1H4         C   4   1.066  -4.405   0.056
   41   2H4     C   4          2H4         C   4  -0.431  -5.331  -0.039
   42    H5     C   4           H5         C   4   2.181  -3.894  -1.895
   43    H6     C   4           H6         C   4   2.162  -3.836  -4.334
   44   1H2*    C   4          1H2*        C   4   1.164  -3.151  -6.337
   45   2H2*    C   4          2H2*        C   4  -0.598  -3.153  -6.526
   46    H3*  HOB   5           H3*      HOL   5  -3.137   0.021  -9.057
   47   1H2*  HOB   5          1H2*      HOL   5  -2.336   2.379  -9.297
   48   2H2*  HOB   5          2H2*      HOL   5  -3.308   2.544  -7.823
   49    H1*  HOB   5           H1*      HOL   5  -1.104   2.009  -6.474
   50   1H2   HOB   5          1H2       HOL   5  -0.702   5.268  -7.074
   51   2H2   HOB   5          2H2       HOL   5  -0.930   3.944  -5.925
   52   1H3   HOB   5          1H3       HOL   5   1.650   4.943  -7.167
   53   2H3   HOB   5          2H3       HOL   5   1.258   4.898  -5.452
   54   1H4   HOB   5          1H4       HOL   5   1.880   2.541  -7.294
   55   2H4   HOB   5          2H4       HOL   5   2.921   3.201  -6.029
   56    H5   HOB   5           H5       HOL   5   0.624   2.465  -4.675
   57   9H    HOB   5          9H        HOL   5  -0.155   1.352  -3.291
   58   1H10  HOB   5          1H10      HOL   5   0.873   0.014  -1.580
   59   2H10  HOB   5          2H10      HOL   5   0.331  -1.483  -2.329
   60   6H1   HOB   5          6H1       HOL   5  -0.213   0.154   0.517
   61   1H17  HOB   5          1H17      HOL   5  -2.576   1.010   1.093
   62   2H17  HOB   5          2H17      HOL   5  -2.143  -0.492   1.874
   63   8H1   HOB   5          8H1       HOL   5  -3.531  -1.773   0.401
   64   9H1   HOB   5          9H1       HOL   5  -3.701   0.828  -1.165
   65   1H20  HOB   5          1H20      HOL   5  -5.278  -1.638  -1.940
   66   2H20  HOB   5          2H20      HOL   5  -5.299  -0.048  -2.680
   67   1H21  HOB   5          1H21      HOL   5  -7.268  -0.469  -1.259
   68   2H21  HOB   5          2H21      HOL   5  -6.349   0.939  -0.738
   69   1H24  HOB   5          1H24      HOL   5  -5.522  -2.731  -0.052
   70   2H24  HOB   5          2H24      HOL   5  -7.266  -2.589   0.155
   71   3H24  HOB   5          3H24      HOL   5  -6.217  -2.737   1.563
   72   7H2   HOB   5          7H2       HOL   5  -7.164   0.908   1.585
   73   1H26  HOB   5          1H26      HOL   5  -6.655  -1.400   3.462
   74   2H26  HOB   5          2H26      HOL   5  -6.463   0.353   3.744
   75   1H25  HOB   5          1H25      HOL   5  -4.523  -1.614   2.775
   76   2H25  HOB   5          2H25      HOL   5  -4.228   0.096   3.210
   77   3H2   HOB   5          3H2       HOL   5  -4.873   0.867   1.092
   78   8H2   HOB   5          8H2       HOL   5  -8.558  -1.776   2.012
   79   1H29  HOB   5          1H29      HOL   5  -9.357   0.595   0.292
   80   2H29  HOB   5          2H29      HOL   5 -10.475  -0.700   0.795
   81   3H29  HOB   5          3H29      HOL   5  -9.092  -1.093  -0.205
   82   1H30  HOB   5          1H30      HOL   5  -8.875  -0.517   4.003
   83   2H30  HOB   5          2H30      HOL   5 -10.362  -0.498   3.085
   84   1H31  HOB   5          1H31      HOL   5  -9.791   1.839   2.291
   85   2H31  HOB   5          2H31      HOL   5  -8.366   1.787   3.344
   86   1H32  HOB   5          1H32      HOL   5  -9.944   1.306   5.293
   87   2H32  HOB   5          2H32      HOL   5 -11.280   1.564   4.168
   88   3H3   HOB   5          3H3       HOL   5 -10.287   3.901   3.727
   89   1H34  HOB   5          1H34      HOL   5  -8.890   4.835   5.557
   90   2H34  HOB   5          2H34      HOL   5  -8.035   3.561   4.687
   91   3H34  HOB   5          3H34      HOL   5  -8.750   3.216   6.279
   92   1H35  HOB   5          1H35      HOL   5 -12.306   3.548   5.070
   93   2H35  HOB   5          2H35      HOL   5 -11.322   4.837   5.773
   94   3H35  HOB   5          3H35      HOL   5 -11.319   3.220   6.515
   95   1H15  HOB   5          1H15      HOL   5  -2.462  -2.818  -1.253
   96   2H15  HOB   5          2H15      HOL   5  -1.774  -2.616  -2.860
   97   3H15  HOB   5          3H15      HOL   5  -3.519  -2.615  -2.669
   98   1H13  HOB   5          1H13      HOL   5  -3.376  -0.710  -4.019
   99   2H13  HOB   5          2H13      HOL   5  -2.929   0.822  -3.369
  100   1H14  HOB   5          1H14      HOL   5  -1.095  -1.263  -4.570
  101   2H14  HOB   5          2H14      HOL   5  -1.420   0.369  -5.136
  102    H4*  HOB   5           H4*      HOL   5  -0.992  -0.477  -7.170
  103   1H5*  HOB   5          1H5*      HOL   5  -0.909  -0.500 -10.198
  104   2H5*  HOB   5          2H5*      HOL   5   0.294  -1.218  -9.106
  105   1H5*    G   6          1H5*        G   6  -6.981   1.104  -5.060
  106   2H5*    G   6          2H5*        G   6  -7.215   1.558  -6.748
  107    H4*    G   6           H4*        G   6  -7.987   3.309  -5.435
  108    H3*    G   6           H3*        G   6  -6.242   3.913  -7.382
  109    H1*    G   6           H1*        G   6  -5.678   5.342  -3.812
  110    H8     G   6           H8         G   6  -3.036   2.887  -4.845
  111    H1     G   6           H1         G   6  -3.430   3.513   1.501
  112   1H2     G   6          1H2         G   6  -5.578   3.822   1.954
  113   2H2     G   6          2H2         G   6  -6.706   4.299   0.664
  114   1H2*    G   6          1H2*        G   6  -4.328   3.821  -6.077
  115   2H2*    G   6          2H2*        G   6  -4.596   5.550  -5.908
  116   1H5*    G   7          1H5*        G   7  -6.458   9.406  -6.425
  117   2H5*    G   7          2H5*        G   7  -5.005   8.979  -5.573
  118    H4*    G   7           H4*        G   7  -7.740   7.818  -4.872
  119    H3*    G   7           H3*        G   7  -7.315  10.459  -4.616
  120    H1*    G   7           H1*        G   7  -6.279   8.290  -1.656
  121    H8     G   7           H8         G   7  -3.516   8.636  -4.205
  122    H1     G   7           H1         G   7  -1.599   6.416   1.543
  123   1H2     G   7          1H2         G   7  -3.230   6.900   2.968
  124   2H2     G   7          2H2         G   7  -4.803   7.390   2.349
  125   1H2*    G   7          1H2*        G   7  -5.138  10.162  -3.772
  126   2H2*    G   7          2H2*        G   7  -6.036  10.576  -2.277
  127   1H5*    A   8          1H5*        A   8  -7.961   9.426  -0.075
  128   2H5*    A   8          2H5*        A   8  -9.093  10.621   0.565
  129    H4*    A   8           H4*        A   8  -7.260  10.562   2.052
  130    H3*    A   8           H3*        A   8  -7.701  12.982   0.619
  131    H1*    A   8           H1*        A   8  -4.676  11.578   2.255
  132    H8     A   8           H8         A   8  -4.255  11.561  -1.495
  133   1H6     A   8          1H6         A   8   1.227   8.752  -0.187
  134   2H6     A   8          2H6         A   8   0.411   9.494  -1.586
  135    H2     A   8           2H         A   8  -0.808   9.344   3.418
  136   1H2*    A   8          1H2*        A   8  -5.556  12.903  -0.299
  137   2H2*    A   8          2H2*        A   8  -5.139  13.669   1.242
  138   1H5*    A   9          1H5*        A   9  -6.026  16.194   4.818
  139   2H5*    A   9          2H5*        A   9  -4.572  16.248   3.847
  140    H4*    A   9           H4*        A   9  -5.597  13.936   5.545
  141    H3*    A   9           H3*        A   9  -3.947  15.931   6.403
  142    H1*    A   9           H1*        A   9  -2.233  12.938   5.045
  143    H8     A   9           H8         A   9  -3.177  15.048   2.047
  144   1H6     A   9          1H6         A   9   1.878  12.370  -0.518
  145   2H6     A   9          2H6         A   9   0.509  13.400  -0.901
  146    H2     A   9           2H         A   9   1.685  11.279   3.706
  147   1H2*    A   9          1H2*        A   9  -2.637  15.861   4.496
  148   2H2*    A   9          2H2*        A   9  -1.624  15.076   5.741
  149   1H5*    C  10          1H5*        C  10  -1.001  12.298   7.197
  150   2H5*    C  10          2H5*        C  10  -0.597  12.411   8.908
  151    H4*    C  10           H4*        C  10   1.478  12.085   7.929
  152    H3*    C  10           H3*        C  10   1.028  14.952   8.543
  153    H1*    C  10           H1*        C  10   3.204  13.083   6.060
  154   1H4     C  10          1H4         C  10   1.432  16.187   0.583
  155   2H4     C  10          2H4         C  10   2.998  15.462   0.323
  156    H5     C  10           H5         C  10   0.350  16.147   2.793
  157    H6     C  10           H6         C  10   0.501  15.222   4.988
  158    H3T    C  10           H3T        C  10   3.380  14.438   9.307
  159   1H2*    C  10          1H2*        C  10   1.951  15.734   6.719
  160   2H2*    C  10          2H2*        C  10   3.508  15.006   7.186
  161   1H5*    G  11          1H5*        G  11  10.220  10.036  -5.719
  162   2H5*    G  11          2H5*        G  11   8.958  11.149  -5.179
  163    H4*    G  11           H4*        G  11  11.603  10.747  -3.720
  164    H3*    G  11           H3*        G  11   9.590   8.799  -3.794
  165    H1*    G  11           H1*        G  11   9.452  11.511  -1.000
  166    H8     G  11           H8         G  11   7.442  12.364  -4.163
  167    H1     G  11           H1         G  11   4.675  13.926   1.436
  168   1H2     G  11          1H2         G  11   5.979  13.171   3.074
  169   2H2     G  11          2H2         G  11   7.565  12.454   2.720
  170   1H2*    G  11          1H2*        G  11   7.889   9.951  -2.880
  171   2H2*    G  11          2H2*        G  11   8.734   9.612  -1.315
  172    H5T    G  11           H5T        G  11  11.650  12.007  -5.625
  173   1H5*    T  12          1H5*        T  12  10.564   9.263   0.591
  174   2H5*    T  12          2H5*        T  12  10.987   7.711   1.323
  175    H4*    T  12           H4*        T  12   9.404   8.892   2.749
  176    H3*    T  12           H3*        T  12   8.675   6.323   1.758
  177   1H2*    T  12          1H2*        T  12   6.700   7.098   1.065
  178   2H2*    T  12          2H2*        T  12   6.246   7.174   2.817
  179    H1*    T  12           H1*        T  12   6.759   9.420   2.975
  180    H3     T  12           H3         T  12   2.950  11.152   1.090
  181   1H5M    T  12          1H7         T  12   4.362   9.351  -3.097
  182   2H5M    T  12          2H7         T  12   6.027   8.811  -2.734
  183   3H5M    T  12          3H7         T  12   5.699  10.518  -3.019
  184    H6     T  12           H6         T  12   6.834   8.817  -0.548
  185   1H5*    T  13          1H5*        T  13   7.209   8.078   5.761
  186   2H5*    T  13          2H5*        T  13   7.696   6.921   6.995
  187    H4*    T  13           H4*        T  13   5.953   8.302   7.785
  188    H3*    T  13           H3*        T  13   5.702   5.635   8.179
  189   1H2*    T  13          1H2*        T  13   4.430   5.273   6.347
  190   2H2*    T  13          2H2*        T  13   3.074   5.499   7.480
  191    H1*    T  13           H1*        T  13   2.723   7.702   6.808
  192    H3     T  13           H3         T  13   1.259   8.726   2.570
  193   1H5M    T  13          1H7         T  13   3.904   4.718   1.407
  194   2H5M    T  13          2H7         T  13   5.356   5.278   2.303
  195   3H5M    T  13          3H7         T  13   4.789   6.189   0.912
  196    H6     T  13           H6         T  13   4.481   5.675   4.387
  197   1H5*    C  14          1H5*        C  14   0.783   5.685  10.715
  198   2H5*    C  14          2H5*        C  14   1.245   5.056   9.121
  199    H4*    C  14           H4*        C  14  -0.295   7.650   9.525
  200    H3*    C  14           H3*        C  14  -1.480   5.260  10.152
  201    H1*    C  14           H1*        C  14  -1.978   6.877   6.961
  202   1H4     C  14          1H4         C  14   1.221   4.346   1.791
  203   2H4     C  14          2H4         C  14   0.118   5.525   1.111
  204    H5     C  14           H5         C  14   1.574   4.005   4.026
  205    H6     C  14           H6         C  14   0.772   4.516   6.366
  206   1H2*    C  14          1H2*        C  14  -0.743   4.326   8.028
  207   2H2*    C  14          2H2*        C  14  -2.498   4.684   7.737
  208   1H5*    C  15          1H5*        C  15  -5.520   4.069  10.393
  209   2H5*    C  15          2H5*        C  15  -4.011   3.816   9.489
  210    H4*    C  15           H4*        C  15  -6.741   4.145   8.122
  211    H3*    C  15           H3*        C  15  -5.598   1.775   9.335
  212    H1*    C  15           H1*        C  15  -6.106   2.798   5.673
  213   1H4     C  15          1H4         C  15   0.006   1.997   3.302
  214   2H4     C  15          2H4         C  15  -1.078   2.545   2.003
  215    H5     C  15           H5         C  15  -0.779   1.795   5.596
  216    H6     C  15           H6         C  15  -2.739   1.928   7.019
  217   1H2*    C  15          1H2*        C  15  -4.744   0.940   7.437
  218   2H2*    C  15          2H2*        C  15  -6.371   0.983   6.711
  219   1H5*    G  16          1H5*        G  16  -7.849  -2.357   8.585
  220   2H5*    G  16          2H5*        G  16  -6.309  -1.507   8.406
  221    H4*    G  16           H4*        G  16  -7.905  -2.283   5.963
  222    H3*    G  16           H3*        G  16  -7.022  -4.221   7.769
  223    H1*    G  16           H1*        G  16  -4.966  -3.145   4.654
  224    H8     G  16           H8         G  16  -3.817  -1.525   7.955
  225    H1     G  16           H1         G  16   0.792  -1.859   3.462
  226   1H2     G  16          1H2         G  16  -0.105  -2.762   1.598
  227   2H2     G  16          2H2         G  16  -1.664  -3.565   1.744
  228   1H2*    G  16          1H2*        G  16  -4.778  -3.804   7.649
  229   2H2*    G  16          2H2*        G  16  -4.817  -4.851   6.255
  230   1H5*    G  17          1H5*        G  17  -9.767  -4.884   4.754
  231   2H5*    G  17          2H5*        G  17 -10.625  -6.393   4.481
  232    H4*    G  17           H4*        G  17 -10.456  -4.813   2.613
  233    H3*    G  17           H3*        G  17 -10.441  -7.540   2.281
  234    H1*    G  17           H1*        G  17  -8.157  -5.127   0.312
  235    H8     G  17           H8         G  17  -6.695  -5.757   3.589
  236    H1     G  17           H1         G  17  -2.308  -5.462  -1.138
  237   1H2     G  17          1H2         G  17  -3.378  -5.469  -3.047
  238   2H2     G  17          2H2         G  17  -5.143  -5.370  -3.057
  239   1H2*    G  17          1H2*        G  17  -8.097  -7.556   2.161
  240   2H2*    G  17          2H2*        G  17  -8.487  -7.488   0.415
  241   1H5*    T  18          1H5*        T  18  -9.173  -6.270  -1.887
  242   2H5*    T  18          2H5*        T  18 -10.112  -7.142  -3.111
  243    H4*    T  18           H4*        T  18  -7.817  -7.603  -3.641
  244    H3*    T  18           H3*        T  18  -9.365  -9.840  -2.643
  245   1H2*    T  18          1H2*        T  18  -7.667 -10.386  -1.257
  246   2H2*    T  18          2H2*        T  18  -6.923 -10.915  -2.815
  247    H1*    T  18           H1*        T  18  -5.693  -8.823  -3.006
  248    H3     T  18           H3         T  18  -2.046  -8.573  -0.408
  249   1H5M    T  18          1H7         T  18  -5.679  -9.977   3.022
  250   2H5M    T  18          2H7         T  18  -6.240  -8.302   2.822
  251   3H5M    T  18          3H7         T  18  -4.630  -8.611   3.490
  252    H6     T  18           H6         T  18  -6.719  -9.172   0.564
  253   1H5*    G  19          1H5*        G  19  -7.589 -13.577  -5.647
  254   2H5*    G  19          2H5*        G  19  -7.423 -12.635  -4.165
  255    H4*    G  19           H4*        G  19  -5.386 -12.326  -6.382
  256    H3*    G  19           H3*        G  19  -5.877 -14.759  -4.891
  257    H1*    G  19           H1*        G  19  -3.055 -12.327  -4.755
  258    H8     G  19           H8         G  19  -5.164 -12.075  -1.635
  259    H1     G  19           H1         G  19   1.152 -10.950  -0.823
  260   1H2     G  19          1H2         G  19   2.130 -11.042  -2.828
  261   2H2     G  19          2H2         G  19   1.141 -11.435  -4.229
  262   1H2*    G  19          1H2*        G  19  -4.960 -13.975  -3.024
  263   2H2*    G  19          2H2*        G  19  -3.508 -14.553  -3.754
  264   1H5*    G  20          1H5*        G  20  -2.327 -16.518  -9.049
  265   2H5*    G  20          2H5*        G  20  -2.193 -16.264  -7.310
  266    H4*    G  20           H4*        G  20  -0.904 -14.446  -9.375
  267    H3*    G  20           H3*        G  20  -0.085 -17.088  -8.883
  268    H1*    G  20           H1*        G  20   1.469 -14.214  -6.757
  269    H8     G  20           H8         G  20  -1.846 -15.389  -5.436
  270    H1     G  20           H1         G  20   2.422 -14.064  -0.793
  271   1H2     G  20          1H2         G  20   4.369 -13.807  -1.690
  272   2H2     G  20          2H2         G  20   4.633 -13.823  -3.434
  273    H3T    G  20           H3T        G  20   1.650 -14.785  -9.099
  274   1H2*    G  20          1H2*        G  20   0.087 -16.906  -6.591
  275   2H2*    G  20          2H2*        G  20   1.780 -16.548  -7.036
  Start of MODEL    6
    1   1H5*    C   1          1H5*        C   1   8.334 -15.424   4.643
    2   2H5*    C   1          2H5*        C   1   6.597 -15.248   4.349
    3    H4*    C   1           H4*        C   1   8.656 -16.116   2.294
    4    H3*    C   1           H3*        C   1   8.126 -13.481   3.191
    5    H1*    C   1           H1*        C   1   6.614 -15.126  -0.090
    6   1H4     C   1          1H4         C   1   0.240 -14.991   1.793
    7   2H4     C   1          2H4         C   1   0.364 -14.866   0.032
    8    H5     C   1           H5         C   1   2.253 -14.863   3.187
    9    H6     C   1           H6         C   1   4.742 -14.954   3.080
   10   1H2*    C   1          1H2*        C   1   6.146 -13.127   2.106
   11   2H2*    C   1          2H2*        C   1   7.070 -13.022   0.575
   12    H5T    C   1           H5T        C   1   7.818 -17.717   3.644
   13   1H5*    C   2          1H5*        C   2   8.977 -13.438  -1.246
   14   2H5*    C   2          2H5*        C   2  10.303 -12.311  -1.576
   15    H4*    C   2           H4*        C   2   8.674 -11.958  -3.212
   16    H3*    C   2           H3*        C   2   9.275  -9.859  -1.360
   17    H1*    C   2           H1*        C   2   5.831 -10.520  -2.964
   18   1H4     C   2          1H4         C   2   1.976 -11.101   2.361
   19   2H4     C   2          2H4         C   2   0.982 -11.482   1.006
   20    H5     C   2           H5         C   2   4.388 -11.216   2.233
   21    H6     C   2           H6         C   2   6.318 -10.921   0.717
   22   1H2*    C   2          1H2*        C   2   7.293  -9.487  -0.540
   23   2H2*    C   2          2H2*        C   2   6.936  -8.687  -2.086
   24   1H5*    A   3          1H5*        A   3   5.433  -9.969  -5.537
   25   2H5*    A   3          2H5*        A   3   6.227  -8.734  -6.533
   26    H4*    A   3           H4*        A   3   4.012  -7.921  -6.055
   27    H3*    A   3           H3*        A   3   6.251  -6.441  -5.080
   28    H1*    A   3           H1*        A   3   2.714  -6.769  -3.960
   29    H8     A   3           H8         A   3   4.816  -7.293  -1.147
   30   1H6     A   3          1H6         A   3  -0.706  -8.784   1.627
   31   2H6     A   3          2H6         A   3   0.960  -8.512   2.088
   32    H2     A   3           2H         A   3  -1.226  -8.195  -2.608
   33   1H2*    A   3          1H2*        A   3   5.667  -6.788  -2.939
   34   2H2*    A   3          2H2*        A   3   4.753  -5.363  -3.268
   35   1H5*    C   4          1H5*        C   4   2.750  -6.827  -7.709
   36   2H5*    C   4          2H5*        C   4   2.204  -5.940  -9.127
   37    H4*    C   4           H4*        C   4   0.321  -6.066  -7.736
   38    H3*    C   4           H3*        C   4   1.500  -3.369  -7.956
   39    H1*    C   4           H1*        C   4  -0.725  -5.284  -5.532
   40   1H4     C   4          1H4         C   4   1.659  -5.262   0.495
   41   2H4     C   4          2H4         C   4  -0.012  -5.857   0.529
   42    H5     C   4           H5         C   4   2.593  -4.494  -1.348
   43    H6     C   4           H6         C   4   2.444  -4.120  -3.749
   44   1H2*    C   4          1H2*        C   4   1.555  -3.187  -5.665
   45   2H2*    C   4          2H2*        C   4  -0.182  -2.867  -5.796
   46    H3*  HOB   5           H3*      HOL   5  -2.913   0.321  -8.812
   47   1H2*  HOB   5          1H2*      HOL   5  -2.107   2.338  -7.784
   48   2H2*  HOB   5          2H2*      HOL   5  -2.248   1.490  -6.261
   49    H1*  HOB   5           H1*      HOL   5   0.223   0.825  -6.454
   50   1H2   HOB   5          1H2       HOL   5  -0.021   4.476  -6.683
   51   2H2   HOB   5          2H2       HOL   5  -0.328   3.121  -5.593
   52   1H3   HOB   5          1H3       HOL   5   2.336   4.285  -6.463
   53   2H3   HOB   5          2H3       HOL   5   1.728   4.157  -4.816
   54   1H4   HOB   5          1H4       HOL   5   2.656   1.863  -6.610
   55   2H4   HOB   5          2H4       HOL   5   3.555   2.567  -5.257
   56    H5   HOB   5           H5       HOL   5   1.358   1.833  -3.954
   57   9H    HOB   5          9H        HOL   5   0.419   0.856  -2.787
   58   1H10  HOB   5          1H10      HOL   5   1.409  -0.449  -1.073
   59   2H10  HOB   5          2H10      HOL   5   0.700  -1.940  -1.684
   60   6H1   HOB   5          6H1       HOL   5   0.472  -0.126   1.075
   61   1H17  HOB   5          1H17      HOL   5  -1.843   0.975   1.681
   62   2H17  HOB   5          2H17      HOL   5  -1.418  -0.477   2.570
   63   8H1   HOB   5          8H1       HOL   5  -2.849  -1.844   1.184
   64   9H1   HOB   5          9H1       HOL   5  -3.099   0.738  -0.402
   65   1H20  HOB   5          1H20      HOL   5  -4.803  -1.656  -1.123
   66   2H20  HOB   5          2H20      HOL   5  -4.832  -0.032  -1.777
   67   1H21  HOB   5          1H21      HOL   5  -6.707  -0.522  -0.245
   68   2H21  HOB   5          2H21      HOL   5  -5.750   0.864   0.268
   69   1H24  HOB   5          1H24      HOL   5  -4.819  -2.828   0.749
   70   2H24  HOB   5          2H24      HOL   5  -6.559  -2.725   0.998
   71   3H24  HOB   5          3H24      HOL   5  -5.476  -2.918   2.376
   72   7H2   HOB   5          7H2       HOL   5  -6.455   0.710   2.596
   73   1H26  HOB   5          1H26      HOL   5  -5.801  -1.629   4.376
   74   2H26  HOB   5          2H26      HOL   5  -5.616   0.112   4.679
   75   1H25  HOB   5          1H25      HOL   5  -3.722  -1.804   3.533
   76   2H25  HOB   5          2H25      HOL   5  -3.405  -0.119   4.040
   77   3H2   HOB   5          3H2       HOL   5  -4.188   0.750   1.990
   78   8H2   HOB   5          8H2       HOL   5  -7.786  -2.015   2.958
   79   1H29  HOB   5          1H29      HOL   5  -9.790  -0.871   1.940
   80   2H29  HOB   5          2H29      HOL   5  -8.476  -1.195   0.827
   81   3H29  HOB   5          3H29      HOL   5  -8.714   0.456   1.449
   82   1H30  HOB   5          1H30      HOL   5  -7.977  -0.889   5.039
   83   2H30  HOB   5          2H30      HOL   5  -9.527  -0.816   4.231
   84   1H31  HOB   5          1H31      HOL   5  -9.028   1.555   3.550
   85   2H31  HOB   5          2H31      HOL   5  -7.501   1.456   4.445
   86   1H32  HOB   5          1H32      HOL   5  -8.903   0.797   6.486
   87   2H32  HOB   5          2H32      HOL   5 -10.315   1.337   5.561
   88   3H3   HOB   5          3H3       HOL   5  -7.856   2.999   6.274
   89   1H34  HOB   5          1H34      HOL   5  -9.345   4.209   7.797
   90   2H34  HOB   5          2H34      HOL   5  -9.336   2.485   8.202
   91   3H34  HOB   5          3H34      HOL   5 -10.714   3.175   7.320
   92   1H35  HOB   5          1H35      HOL   5  -8.726   3.841   4.183
   93   2H35  HOB   5          2H35      HOL   5  -9.186   4.953   5.474
   94   3H35  HOB   5          3H35      HOL   5 -10.387   3.814   4.811
   95   1H15  HOB   5          1H15      HOL   5  -3.165  -2.702  -1.993
   96   2H15  HOB   5          2H15      HOL   5  -2.197  -2.991  -0.521
   97   3H15  HOB   5          3H15      HOL   5  -1.429  -2.826  -2.088
   98   1H13  HOB   5          1H13      HOL   5  -3.059  -0.758  -3.219
   99   2H13  HOB   5          2H13      HOL   5  -2.341   0.702  -2.611
  100   1H14  HOB   5          1H14      HOL   5  -0.915  -1.648  -3.897
  101   2H14  HOB   5          2H14      HOL   5  -1.063  -0.013  -4.520
  102    H4*  HOB   5           H4*      HOL   5  -0.591  -1.209  -7.747
  103   1H5*  HOB   5          1H5*      HOL   5  -2.060  -1.316 -10.063
  104   2H5*  HOB   5          2H5*      HOL   5  -0.739  -0.279 -10.582
  105   1H5*    G   6          1H5*        G   6  -3.815   1.082  -4.952
  106   2H5*    G   6          2H5*        G   6  -5.273   0.214  -4.493
  107    H4*    G   6           H4*        G   6  -6.664   2.054  -4.994
  108    H3*    G   6           H3*        G   6  -4.991   2.919  -6.935
  109    H1*    G   6           H1*        G   6  -4.817   4.783  -3.462
  110    H8     G   6           H8         G   6  -1.849   2.609  -4.371
  111    H1     G   6           H1         G   6  -2.545   3.483   1.915
  112   1H2     G   6          1H2         G   6  -4.744   3.644   2.242
  113   2H2     G   6          2H2         G   6  -5.789   4.026   0.873
  114   1H2*    G   6          1H2*        G   6  -3.200   3.470  -5.655
  115   2H2*    G   6          2H2*        G   6  -3.916   5.064  -5.634
  116   1H5*    G   7          1H5*        G   7  -6.315   8.020  -7.338
  117   2H5*    G   7          2H5*        G   7  -4.725   7.934  -6.600
  118    H4*    G   7           H4*        G   7  -7.255   6.812  -5.322
  119    H3*    G   7           H3*        G   7  -6.735   9.475  -5.744
  120    H1*    G   7           H1*        G   7  -6.062   7.764  -2.435
  121    H8     G   7           H8         G   7  -3.013   7.912  -4.580
  122    H1     G   7           H1         G   7  -1.701   6.780   1.653
  123   1H2     G   7          1H2         G   7  -3.557   7.108   2.784
  124   2H2     G   7          2H2         G   7  -5.010   7.656   1.975
  125   1H2*    G   7          1H2*        G   7  -4.672   9.406  -4.631
  126   2H2*    G   7          2H2*        G   7  -5.735  10.003  -3.314
  127   1H5*    A   8          1H5*        A   8  -7.878   9.178  -1.201
  128   2H5*    A   8          2H5*        A   8  -9.218  10.308  -0.962
  129    H4*    A   8           H4*        A   8  -7.828  10.654   0.863
  130    H3*    A   8           H3*        A   8  -8.016  12.808  -0.936
  131    H1*    A   8           H1*        A   8  -5.156  11.930   1.280
  132    H8     A   8           H8         A   8  -4.302  11.146  -2.337
  133   1H6     A   8          1H6         A   8   1.168   9.173  -0.001
  134   2H6     A   8          2H6         A   8   0.454   9.703  -1.533
  135    H2     A   8           2H         A   8  -1.376  10.052   3.262
  136   1H2*    A   8          1H2*        A   8  -5.782  12.581  -1.577
  137   2H2*    A   8          2H2*        A   8  -5.571  13.706  -0.215
  138   1H5*    A   9          1H5*        A   9  -6.801  16.790   2.493
  139   2H5*    A   9          2H5*        A   9  -5.351  16.624   1.516
  140    H4*    A   9           H4*        A   9  -6.384  14.638   3.606
  141    H3*    A   9           H3*        A   9  -5.095  17.010   4.024
  142    H1*    A   9           H1*        A   9  -3.015  13.923   3.809
  143    H8     A   9           H8         A   9  -3.464  15.143   0.257
  144   1H6     A   9          1H6         A   9   2.020  12.312  -0.709
  145   2H6     A   9          2H6         A   9   0.698  13.150  -1.509
  146    H2     A   9           2H         A   9   1.091  12.165   3.592
  147   1H2*    A   9          1H2*        A   9  -3.479  16.595   2.470
  148   2H2*    A   9          2H2*        A   9  -2.647  16.246   4.014
  149   1H5*    C  10          1H5*        C  10  -2.350  14.077   6.437
  150   2H5*    C  10          2H5*        C  10  -2.158  14.855   8.014
  151    H4*    C  10           H4*        C  10  -0.001  14.167   7.441
  152    H3*    C  10           H3*        C  10  -0.457  17.056   7.230
  153    H1*    C  10           H1*        C  10   2.027  14.725   5.581
  154   1H4     C  10          1H4         C  10   1.109  16.432  -0.680
  155   2H4     C  10          2H4         C  10   2.749  15.795  -0.547
  156    H5     C  10           H5         C  10  -0.314  16.748   1.256
  157    H6     C  10           H6         C  10  -0.499  16.366   3.645
  158    H3T    C  10           H3T        C  10   1.131  16.968   8.774
  159   1H2*    C  10          1H2*        C  10   0.639  17.386   5.355
  160   2H2*    C  10          2H2*        C  10   2.149  16.870   6.167
  161   1H5*    G  11          1H5*        G  11  11.747  10.842  -3.865
  162   2H5*    G  11          2H5*        G  11  10.249  11.754  -3.718
  163    H4*    G  11           H4*        G  11  12.561  11.802  -1.730
  164    H3*    G  11           H3*        G  11  10.696   9.715  -2.024
  165    H1*    G  11           H1*        G  11   9.741  12.703   0.411
  166    H8     G  11           H8         G  11   8.629  12.949  -3.246
  167    H1     G  11           H1         G  11   4.272  14.725   1.139
  168   1H2     G  11          1H2         G  11   5.116  14.282   3.163
  169   2H2     G  11          2H2         G  11   6.759  13.696   3.356
  170   1H2*    G  11          1H2*        G  11   8.770  10.746  -1.491
  171   2H2*    G  11          2H2*        G  11   9.377  10.678   0.207
  172    H5T    G  11           H5T        G  11  11.505  13.699  -3.779
  173   1H5*    T  12          1H5*        T  12  10.735  10.787   2.271
  174   2H5*    T  12          2H5*        T  12  11.226   9.470   3.348
  175    H4*    T  12           H4*        T  12   9.211  10.477   4.295
  176    H3*    T  12           H3*        T  12   9.003   7.764   3.358
  177   1H2*    T  12          1H2*        T  12   7.102   8.231   2.343
  178   2H2*    T  12          2H2*        T  12   6.357   8.392   3.972
  179    H1*    T  12           H1*        T  12   6.622  10.722   3.979
  180    H3     T  12           H3         T  12   2.947  11.606   1.295
  181   1H5M    T  12          1H7         T  12   7.019   9.477  -1.644
  182   2H5M    T  12          2H7         T  12   6.533  11.090  -2.154
  183   3H5M    T  12          3H7         T  12   5.408   9.722  -2.376
  184    H6     T  12           H6         T  12   7.379   9.830   0.607
  185   1H5*    T  13          1H5*        T  13   6.867   9.619   6.917
  186   2H5*    T  13          2H5*        T  13   6.919   8.540   8.302
  187    H4*    T  13           H4*        T  13   5.021  10.012   8.393
  188    H3*    T  13           H3*        T  13   4.709   7.389   8.999
  189   1H2*    T  13          1H2*        T  13   4.004   6.840   6.849
  190   2H2*    T  13          2H2*        T  13   2.400   7.044   7.626
  191    H1*    T  13           H1*        T  13   2.251   9.299   6.863
  192    H3     T  13           H3         T  13   0.898   9.428   2.531
  193   1H5M    T  13          1H7         T  13   5.190   7.574   1.496
  194   2H5M    T  13          2H7         T  13   4.330   6.034   1.814
  195   3H5M    T  13          3H7         T  13   5.542   6.652   2.960
  196    H6     T  13           H6         T  13   4.540   7.366   4.895
  197   1H5*    C  14          1H5*        C  14  -0.280   6.971  10.732
  198   2H5*    C  14          2H5*        C  14   0.267   6.376   9.171
  199    H4*    C  14           H4*        C  14  -1.803   8.584   9.532
  200    H3*    C  14           H3*        C  14  -2.355   6.048  10.293
  201    H1*    C  14           H1*        C  14  -3.065   7.006   6.840
  202   1H4     C  14          1H4         C  14   1.525   5.377   2.431
  203   2H4     C  14          2H4         C  14   0.156   5.943   1.488
  204    H5     C  14           H5         C  14   1.683   5.465   4.691
  205    H6     C  14           H6         C  14   0.408   5.721   6.848
  206   1H2*    C  14          1H2*        C  14  -1.227   5.140   8.331
  207   2H2*    C  14          2H2*        C  14  -2.968   4.925   7.916
  208   1H5*    C  15          1H5*        C  15  -5.780   3.708  10.461
  209   2H5*    C  15          2H5*        C  15  -4.247   3.960   9.601
  210    H4*    C  15           H4*        C  15  -6.830   3.303   8.136
  211    H3*    C  15           H3*        C  15  -5.098   1.513   9.631
  212    H1*    C  15           H1*        C  15  -5.619   2.041   5.849
  213   1H4     C  15          1H4         C  15   0.674   2.940   3.956
  214   2H4     C  15          2H4         C  15  -0.429   3.009   2.584
  215    H5     C  15           H5         C  15  -0.217   2.537   6.249
  216    H6     C  15           H6         C  15  -2.257   2.165   7.509
  217   1H2*    C  15          1H2*        C  15  -3.978   0.689   7.853
  218   2H2*    C  15          2H2*        C  15  -5.559   0.321   7.059
  219   1H5*    G  16          1H5*        G  16  -6.813  -3.290   9.284
  220   2H5*    G  16          2H5*        G  16  -5.267  -2.479   8.992
  221    H4*    G  16           H4*        G  16  -6.997  -3.665   6.786
  222    H3*    G  16           H3*        G  16  -5.541  -5.175   8.677
  223    H1*    G  16           H1*        G  16  -4.074  -4.099   5.185
  224    H8     G  16           H8         G  16  -3.039  -1.955   8.206
  225    H1     G  16           H1         G  16   1.165  -1.849   3.307
  226   1H2     G  16          1H2         G  16   0.607  -3.274   1.880
  227   2H2     G  16          2H2         G  16  -0.754  -4.375   2.123
  228   1H2*    G  16          1H2*        G  16  -3.436  -4.439   8.169
  229   2H2*    G  16          2H2*        G  16  -3.513  -5.589   6.859
  230   1H5*    G  17          1H5*        G  17  -8.481  -4.854   6.019
  231   2H5*    G  17          2H5*        G  17  -9.843  -5.941   5.884
  232    H4*    G  17           H4*        G  17  -9.573  -4.501   4.020
  233    H3*    G  17           H3*        G  17 -10.121  -7.161   3.617
  234    H1*    G  17           H1*        G  17  -7.666  -5.187   1.398
  235    H8     G  17           H8         G  17  -6.001  -6.185   4.506
  236    H1     G  17           H1         G  17  -2.051  -5.696  -0.567
  237   1H2     G  17          1H2         G  17  -3.245  -5.367  -2.330
  238   2H2     G  17          2H2         G  17  -4.993  -5.284  -2.240
  239   1H2*    G  17          1H2*        G  17  -7.835  -7.633   3.203
  240   2H2*    G  17          2H2*        G  17  -8.427  -7.417   1.531
  241   1H5*    T  18          1H5*        T  18  -9.217  -5.913  -0.635
  242   2H5*    T  18          2H5*        T  18 -10.406  -6.610  -1.735
  243    H4*    T  18           H4*        T  18  -8.283  -7.368  -2.589
  244    H3*    T  18           H3*        T  18  -9.746  -9.505  -1.203
  245   1H2*    T  18          1H2*        T  18  -7.819 -10.355  -0.509
  246   2H2*    T  18          2H2*        T  18  -7.373 -10.524  -2.246
  247    H1*    T  18           H1*        T  18  -6.068  -8.543  -2.251
  248    H3     T  18           H3         T  18  -2.215  -8.994   0.068
  249   1H5M    T  18          1H7         T  18  -4.595  -9.683   4.080
  250   2H5M    T  18          2H7         T  18  -6.036 -10.451   3.380
  251   3H5M    T  18          3H7         T  18  -6.024  -8.694   3.670
  252    H6     T  18           H6         T  18  -6.867  -9.262   1.302
  253   1H5*    G  19          1H5*        G  19  -8.240 -13.107  -4.882
  254   2H5*    G  19          2H5*        G  19  -7.581 -12.390  -3.411
  255    H4*    G  19           H4*        G  19  -6.393 -11.631  -6.093
  256    H3*    G  19           H3*        G  19  -6.459 -14.289  -5.139
  257    H1*    G  19           H1*        G  19  -3.555 -11.960  -4.767
  258    H8     G  19           H8         G  19  -5.571 -12.072  -1.525
  259    H1     G  19           H1         G  19   0.841 -11.406  -0.891
  260   1H2     G  19          1H2         G  19   1.721 -11.236  -2.916
  261   2H2     G  19          2H2         G  19   0.624 -11.143  -4.283
  262   1H2*    G  19          1H2*        G  19  -5.341 -13.891  -3.245
  263   2H2*    G  19          2H2*        G  19  -3.994 -14.261  -4.260
  264   1H5*    G  20          1H5*        G  20  -3.572 -14.830 -10.072
  265   2H5*    G  20          2H5*        G  20  -3.232 -15.202  -8.378
  266    H4*    G  20           H4*        G  20  -1.891 -13.022 -10.006
  267    H3*    G  20           H3*        G  20  -1.457 -15.788 -10.292
  268    H1*    G  20           H1*        G  20   0.698 -13.832  -7.731
  269    H8     G  20           H8         G  20  -2.678 -14.882  -6.336
  270    H1     G  20           H1         G  20   2.078 -14.768  -1.990
  271   1H2     G  20          1H2         G  20   3.982 -14.507  -3.038
  272   2H2     G  20          2H2         G  20   4.085 -14.490  -4.802
  273    H3T    G  20           H3T        G  20   0.924 -15.150 -10.524
  274   1H2*    G  20          1H2*        G  20  -1.115 -16.239  -8.067
  275   2H2*    G  20          2H2*        G  20   0.581 -16.039  -8.567
  Start of MODEL    7
    1   1H5*    C   1          1H5*        C   1   8.386 -12.423   5.008
    2   2H5*    C   1          2H5*        C   1   6.678 -12.757   4.740
    3    H4*    C   1           H4*        C   1   9.012 -14.006   3.258
    4    H3*    C   1           H3*        C   1   7.882 -11.481   3.002
    5    H1*    C   1           H1*        C   1   6.667 -14.552   0.760
    6   1H4     C   1          1H4         C   1   0.483 -13.953   2.958
    7   2H4     C   1          2H4         C   1   0.455 -14.898   1.463
    8    H5     C   1           H5         C   1   2.511 -13.506   4.161
    9    H6     C   1           H6         C   1   4.961 -13.381   3.853
   10   1H2*    C   1          1H2*        C   1   5.862 -12.011   2.056
   11   2H2*    C   1          2H2*        C   1   6.709 -12.354   0.523
   12    H5T    C   1           H5T        C   1   7.724 -13.883   6.499
   13   1H5*    C   2          1H5*        C   2   8.181 -12.962  -1.059
   14   2H5*    C   2          2H5*        C   2   9.607 -12.212  -1.739
   15    H4*    C   2           H4*        C   2   8.140 -12.448  -3.578
   16    H3*    C   2           H3*        C   2   8.750  -9.857  -2.837
   17    H1*    C   2           H1*        C   2   5.200 -10.899  -3.770
   18   1H4     C   2          1H4         C   2   1.838 -10.787   1.880
   19   2H4     C   2          2H4         C   2   0.757 -11.480   0.708
   20    H5     C   2           H5         C   2   4.052 -10.401   1.524
   21    H6     C   2           H6         C   2   5.895 -10.335  -0.146
   22   1H2*    C   2          1H2*        C   2   6.833  -9.320  -1.787
   23   2H2*    C   2          2H2*        C   2   6.325  -8.899  -3.441
   24   1H5*    A   3          1H5*        A   3   4.307 -10.721  -6.613
   25   2H5*    A   3          2H5*        A   3   5.086  -9.508  -7.656
   26    H4*    A   3           H4*        A   3   2.915  -8.716  -6.970
   27    H3*    A   3           H3*        A   3   5.261  -7.170  -6.573
   28    H1*    A   3           H1*        A   3   1.947  -7.249  -4.897
   29    H8     A   3           H8         A   3   4.373  -7.384  -2.345
   30   1H6     A   3          1H6         A   3  -0.762  -8.607   1.209
   31   2H6     A   3          2H6         A   3   0.973  -8.353   1.405
   32    H2     A   3           2H         A   3  -1.755  -8.478  -2.996
   33   1H2*    A   3          1H2*        A   3   5.008  -7.216  -4.302
   34   2H2*    A   3          2H2*        A   3   4.044  -5.829  -4.692
   35   1H5*    C   4          1H5*        C   4   1.969  -6.870  -8.973
   36   2H5*    C   4          2H5*        C   4   1.291  -5.692 -10.079
   37    H4*    C   4           H4*        C   4  -0.486  -6.688  -8.787
   38    H3*    C   4           H3*        C   4  -0.008  -3.866  -8.973
   39    H1*    C   4           H1*        C   4  -1.650  -5.961  -6.257
   40   1H4     C   4          1H4         C   4   1.235  -5.028  -0.486
   41   2H4     C   4          2H4         C   4  -0.362  -5.779  -0.283
   42    H5     C   4           H5         C   4   2.095  -4.710  -2.575
   43    H6     C   4           H6         C   4   1.669  -4.595  -4.970
   44   1H2*    C   4          1H2*        C   4   0.397  -3.689  -6.692
   45   2H2*    C   4          2H2*        C   4  -1.369  -3.561  -6.591
   46    H3*  HOB   5           H3*      HOL   5  -3.815  -0.036  -8.740
   47   1H2*  HOB   5          1H2*      HOL   5  -2.557   0.855  -6.772
   48   2H2*  HOB   5          2H2*      HOL   5  -2.094  -0.797  -6.406
   49    H1*  HOB   5           H1*      HOL   5   0.003  -0.240  -7.668
   50   1H2   HOB   5          1H2       HOL   5  -0.862   3.363  -7.991
   51   2H2   HOB   5          2H2       HOL   5  -0.813   2.201  -6.651
   52   1H3   HOB   5          1H3       HOL   5   1.484   3.016  -8.495
   53   2H3   HOB   5          2H3       HOL   5   1.302   3.482  -6.810
   54   1H4   HOB   5          1H4       HOL   5   1.890   0.700  -7.872
   55   2H4   HOB   5          2H4       HOL   5   2.999   1.770  -7.019
   56    H5   HOB   5           H5       HOL   5   0.919   1.454  -5.212
   57   9H    HOB   5          9H        HOL   5   0.703   0.772  -3.103
   58   1H10  HOB   5          1H10      HOL   5   1.571  -0.745  -1.485
   59   2H10  HOB   5          2H10      HOL   5   0.795  -2.134  -2.233
   60   6H1   HOB   5          6H1       HOL   5   0.687  -0.612   0.693
   61   1H17  HOB   5          1H17      HOL   5  -1.520   0.559   1.435
   62   2H17  HOB   5          2H17      HOL   5  -1.167  -0.977   2.212
   63   8H1   HOB   5          8H1       HOL   5  -2.717  -2.152   0.762
   64   9H1   HOB   5          9H1       HOL   5  -2.837   0.564  -0.588
   65   1H20  HOB   5          1H20      HOL   5  -4.721  -1.640  -1.434
   66   2H20  HOB   5          2H20      HOL   5  -4.648   0.028  -1.971
   67   1H21  HOB   5          1H21      HOL   5  -6.507  -0.407  -0.418
   68   2H21  HOB   5          2H21      HOL   5  -5.418   0.843   0.167
   69   1H24  HOB   5          1H24      HOL   5  -5.431  -3.087   1.985
   70   2H24  HOB   5          2H24      HOL   5  -4.768  -2.933   0.363
   71   3H24  HOB   5          3H24      HOL   5  -6.493  -2.717   0.629
   72   7H2   HOB   5          7H2       HOL   5  -6.134   0.548   2.534
   73   1H26  HOB   5          1H26      HOL   5  -5.574  -1.955   4.098
   74   2H26  HOB   5          2H26      HOL   5  -5.253  -0.256   4.511
   75   1H25  HOB   5          1H25      HOL   5  -3.532  -2.228   3.174
   76   2H25  HOB   5          2H25      HOL   5  -3.083  -0.610   3.783
   77   3H2   HOB   5          3H2       HOL   5  -3.840   0.462   1.832
   78   8H2   HOB   5          8H2       HOL   5  -7.587  -2.138   2.622
   79   1H29  HOB   5          1H29      HOL   5  -9.554  -0.755   1.796
   80   2H29  HOB   5          2H29      HOL   5  -8.286  -1.068   0.628
   81   3H29  HOB   5          3H29      HOL   5  -8.384   0.525   1.406
   82   1H30  HOB   5          1H30      HOL   5  -7.713  -1.270   4.841
   83   2H30  HOB   5          2H30      HOL   5  -9.248  -1.142   4.036
   84   1H31  HOB   5          1H31      HOL   5  -8.428   1.378   3.549
   85   2H31  HOB   5          2H31      HOL   5  -7.320   1.026   4.862
   86   1H32  HOB   5          1H32      HOL   5  -9.204   2.094   5.840
   87   2H32  HOB   5          2H32      HOL   5  -9.270   0.396   6.306
   88   3H3   HOB   5          3H3       HOL   5 -11.040   0.014   4.558
   89   1H34  HOB   5          1H34      HOL   5 -10.855   3.032   4.161
   90   2H34  HOB   5          2H34      HOL   5 -12.177   2.003   3.569
   91   3H34  HOB   5          3H34      HOL   5 -10.545   1.778   2.936
   92   1H35  HOB   5          1H35      HOL   5 -12.831   1.165   5.751
   93   2H35  HOB   5          2H35      HOL   5 -11.658   2.272   6.497
   94   3H35  HOB   5          3H35      HOL   5 -11.632   0.537   6.893
   95   1H15  HOB   5          1H15      HOL   5  -1.454  -2.894  -2.726
   96   2H15  HOB   5          2H15      HOL   5  -3.173  -2.659  -2.536
   97   3H15  HOB   5          3H15      HOL   5  -2.185  -3.183  -1.146
   98   1H13  HOB   5          1H13      HOL   5  -2.943  -0.590  -3.530
   99   2H13  HOB   5          2H13      HOL   5  -2.105   0.712  -2.747
  100   1H14  HOB   5          1H14      HOL   5  -0.862  -1.515  -4.384
  101   2H14  HOB   5          2H14      HOL   5  -0.937   0.205  -4.765
  102    H4*  HOB   5           H4*      HOL   5  -1.874  -2.331  -8.435
  103   1H5*  HOB   5          1H5*      HOL   5  -3.878  -2.467 -10.096
  104   2H5*  HOB   5          2H5*      HOL   5  -2.965  -1.289 -11.047
  105   1H5*    G   6          1H5*        G   6  -5.917   0.013  -3.936
  106   2H5*    G   6          2H5*        G   6  -7.087   0.098  -5.244
  107    H4*    G   6           H4*        G   6  -7.264   2.169  -4.563
  108    H3*    G   6           H3*        G   6  -5.725   2.145  -6.850
  109    H1*    G   6           H1*        G   6  -4.999   4.434  -3.754
  110    H8     G   6           H8         G   6  -2.104   2.673  -4.822
  111    H1     G   6           H1         G   6  -2.054   3.106   1.560
  112   1H2     G   6          1H2         G   6  -4.112   3.154   2.223
  113   2H2     G   6          2H2         G   6  -5.421   3.494   1.100
  114   1H2*    G   6          1H2*        G   6  -3.797   2.471  -5.779
  115   2H2*    G   6          2H2*        G   6  -4.139   4.204  -5.993
  116   1H5*    G   7          1H5*        G   7  -6.260   7.586  -7.551
  117   2H5*    G   7          2H5*        G   7  -4.635   7.539  -6.869
  118    H4*    G   7           H4*        G   7  -7.106   6.486  -5.462
  119    H3*    G   7           H3*        G   7  -6.537   9.130  -5.941
  120    H1*    G   7           H1*        G   7  -5.599   7.476  -2.651
  121    H8     G   7           H8         G   7  -2.780   7.447  -5.111
  122    H1     G   7           H1         G   7  -0.912   6.514   1.032
  123   1H2     G   7          1H2         G   7  -2.747   6.626   2.293
  124   2H2     G   7          2H2         G   7  -4.337   6.612   1.560
  125   1H2*    G   7          1H2*        G   7  -4.411   9.020  -5.006
  126   2H2*    G   7          2H2*        G   7  -5.325   9.669  -3.602
  127   1H5*    A   8          1H5*        A   8  -7.667   9.237  -1.441
  128   2H5*    A   8          2H5*        A   8  -8.643  10.691  -1.206
  129    H4*    A   8           H4*        A   8  -6.883  10.637   0.447
  130    H3*    A   8           H3*        A   8  -6.906  12.839  -1.474
  131    H1*    A   8           H1*        A   8  -4.439  11.234   0.810
  132    H8     A   8           H8         A   8  -3.481  10.648  -2.811
  133   1H6     A   8          1H6         A   8   2.149   9.202  -0.421
  134   2H6     A   8          2H6         A   8   1.338   9.427  -1.993
  135    H2     A   8           2H         A   8  -0.558   9.643   2.805
  136   1H2*    A   8          1H2*        A   8  -4.693  12.380  -1.980
  137   2H2*    A   8          2H2*        A   8  -4.359  13.304  -0.569
  138   1H5*    A   9          1H5*        A   9  -7.359  13.752   4.391
  139   2H5*    A   9          2H5*        A   9  -6.131  14.065   3.157
  140    H4*    A   9           H4*        A   9  -6.144  11.538   4.822
  141    H3*    A   9           H3*        A   9  -5.711  14.022   5.937
  142    H1*    A   9           H1*        A   9  -2.797  12.108   4.701
  143    H8     A   9           H8         A   9  -4.064  14.137   1.739
  144   1H6     A   9          1H6         A   9   1.851  13.123  -0.242
  145   2H6     A   9          2H6         A   9   0.303  13.713  -0.839
  146    H2     A   9           2H         A   9   1.494  11.824   3.886
  147   1H2*    A   9          1H2*        A   9  -4.263  14.696   4.342
  148   2H2*    A   9          2H2*        A   9  -3.140  14.180   5.648
  149   1H5*    C  10          1H5*        C  10  -2.311  14.536   9.260
  150   2H5*    C  10          2H5*        C  10  -2.593  14.839   7.561
  151    H4*    C  10           H4*        C  10  -0.242  13.111   8.457
  152    H3*    C  10           H3*        C  10  -0.736  16.020   8.614
  153    H1*    C  10           H1*        C  10   1.573  13.928   6.445
  154   1H4     C  10          1H4         C  10  -0.220  16.664   0.751
  155   2H4     C  10          2H4         C  10   1.511  16.338   0.722
  156    H5     C  10           H5         C  10  -1.549  16.302   2.871
  157    H6     C  10           H6         C  10  -1.334  15.514   5.133
  158    H3T    C  10           H3T        C  10   1.717  14.598   9.255
  159   1H2*    C  10          1H2*        C  10   0.184  16.579   6.757
  160   2H2*    C  10          2H2*        C  10   1.772  15.989   7.309
  161   1H5*    G  11          1H5*        G  11  10.854  13.905  -3.828
  162   2H5*    G  11          2H5*        G  11   9.230  14.363  -3.385
  163    H4*    G  11           H4*        G  11  11.760  15.038  -1.816
  164    H3*    G  11           H3*        G  11  10.717  12.495  -2.036
  165    H1*    G  11           H1*        G  11   9.101  14.735   0.769
  166    H8     G  11           H8         G  11   7.574  15.169  -2.710
  167    H1     G  11           H1         G  11   3.474  15.520   2.214
  168   1H2     G  11          1H2         G  11   4.646  15.064   4.083
  169   2H2     G  11          2H2         G  11   6.412  14.883   4.025
  170   1H2*    G  11          1H2*        G  11   8.578  12.871  -1.384
  171   2H2*    G  11          2H2*        G  11   9.266  12.731   0.285
  172    H5T    G  11           H5T        G  11  10.021  15.919  -4.807
  173   1H5*    T  12          1H5*        T  12  10.974   9.493   1.756
  174   2H5*    T  12          2H5*        T  12   9.640  10.174   0.809
  175    H4*    T  12           H4*        T  12  10.094  10.725   3.753
  176    H3*    T  12           H3*        T  12   9.187   8.356   2.804
  177   1H2*    T  12          1H2*        T  12   7.355   9.214   1.820
  178   2H2*    T  12          2H2*        T  12   6.635   8.995   3.468
  179    H1*    T  12           H1*        T  12   6.901  11.138   4.023
  180    H3     T  12           H3         T  12   3.116  12.303   1.647
  181   1H5M    T  12          1H7         T  12   7.215  11.204  -1.740
  182   2H5M    T  12          2H7         T  12   6.441  12.753  -2.051
  183   3H5M    T  12          3H7         T  12   5.535  11.245  -2.336
  184    H6     T  12           H6         T  12   7.661  11.199   0.511
  185   1H5*    T  13          1H5*        T  13   6.854   9.797   6.458
  186   2H5*    T  13          2H5*        T  13   7.351   8.686   7.738
  187    H4*    T  13           H4*        T  13   5.193   9.518   8.195
  188    H3*    T  13           H3*        T  13   5.640   6.880   8.404
  189   1H2*    T  13          1H2*        T  13   4.964   6.371   6.311
  190   2H2*    T  13          2H2*        T  13   3.415   6.061   7.110
  191    H1*    T  13           H1*        T  13   2.522   8.104   6.446
  192    H3     T  13           H3         T  13   1.806   9.254   2.105
  193   1H5M    T  13          1H7         T  13   5.614   6.003   1.524
  194   2H5M    T  13          2H7         T  13   6.663   7.011   2.560
  195   3H5M    T  13          3H7         T  13   6.094   7.658   1.029
  196    H6     T  13           H6         T  13   5.268   6.905   4.434
  197   1H5*    C  14          1H5*        C  14   1.287   8.493   8.796
  198   2H5*    C  14          2H5*        C  14   0.523   7.743  10.208
  199    H4*    C  14           H4*        C  14  -1.155   8.108   8.572
  200    H3*    C  14           H3*        C  14  -0.663   5.540   9.614
  201    H1*    C  14           H1*        C  14  -1.949   6.477   6.256
  202   1H4     C  14          1H4         C  14   2.447   5.090   1.499
  203   2H4     C  14          2H4         C  14   1.064   5.861   0.723
  204    H5     C  14           H5         C  14   2.678   4.974   3.797
  205    H6     C  14           H6         C  14   1.482   5.210   6.030
  206   1H2*    C  14          1H2*        C  14   0.156   4.746   7.591
  207   2H2*    C  14          2H2*        C  14  -1.607   4.411   7.332
  208   1H5*    C  15          1H5*        C  15  -3.708   2.669  10.695
  209   2H5*    C  15          2H5*        C  15  -2.451   3.113   9.510
  210    H4*    C  15           H4*        C  15  -5.279   2.366   8.646
  211    H3*    C  15           H3*        C  15  -3.164   0.578   9.521
  212    H1*    C  15           H1*        C  15  -4.514   1.392   5.981
  213   1H4     C  15          1H4         C  15   1.346   2.483   3.126
  214   2H4     C  15          2H4         C  15   0.090   2.744   1.912
  215    H5     C  15           H5         C  15   0.867   2.081   5.420
  216    H6     C  15           H6         C  15  -0.917   1.638   7.029
  217   1H2*    C  15          1H2*        C  15  -2.476  -0.067   7.418
  218   2H2*    C  15          2H2*        C  15  -4.204  -0.371   6.983
  219   1H5*    G  16          1H5*        G  16  -6.232  -1.830   7.122
  220   2H5*    G  16          2H5*        G  16  -6.821  -3.203   8.089
  221    H4*    G  16           H4*        G  16  -6.118  -3.897   5.792
  222    H3*    G  16           H3*        G  16  -5.090  -5.104   8.245
  223    H1*    G  16           H1*        G  16  -3.301  -4.493   4.788
  224    H8     G  16           H8         G  16  -1.945  -2.848   8.024
  225    H1     G  16           H1         G  16   1.712  -2.124   2.765
  226   1H2     G  16          1H2         G  16  -0.562  -4.473   1.571
  227   2H2     G  16          2H2         G  16   0.855  -3.498   1.133
  228   1H2*    G  16          1H2*        G  16  -2.906  -5.079   7.755
  229   2H2*    G  16          2H2*        G  16  -3.209  -6.107   6.387
  230   1H5*    G  17          1H5*        G  17  -8.104  -4.565   5.795
  231   2H5*    G  17          2H5*        G  17  -9.571  -5.508   5.980
  232    H4*    G  17           H4*        G  17  -9.602  -4.373   3.937
  233    H3*    G  17           H3*        G  17 -10.070  -7.090   3.894
  234    H1*    G  17           H1*        G  17  -7.902  -5.335   1.205
  235    H8     G  17           H8         G  17  -5.933  -5.954   4.274
  236    H1     G  17           H1         G  17  -2.443  -5.673  -1.146
  237   1H2     G  17          1H2         G  17  -3.812  -5.564  -2.833
  238   2H2     G  17          2H2         G  17  -5.557  -5.492  -2.558
  239   1H2*    G  17          1H2*        G  17  -7.831  -7.524   3.318
  240   2H2*    G  17          2H2*        G  17  -8.577  -7.562   1.710
  241   1H5*    T  18          1H5*        T  18  -9.378  -5.994  -0.296
  242   2H5*    T  18          2H5*        T  18 -10.576  -6.600  -1.448
  243    H4*    T  18           H4*        T  18  -8.501  -7.332  -2.369
  244    H3*    T  18           H3*        T  18 -10.086  -9.432  -1.158
  245   1H2*    T  18          1H2*        T  18  -8.239 -10.190  -0.057
  246   2H2*    T  18          2H2*        T  18  -7.851 -10.766  -1.718
  247    H1*    T  18           H1*        T  18  -6.449  -8.808  -2.126
  248    H3     T  18           H3         T  18  -2.418  -8.888  -0.179
  249   1H5M    T  18          1H7         T  18  -4.372  -8.812   4.091
  250   2H5M    T  18          2H7         T  18  -5.429 -10.237   3.807
  251   3H5M    T  18          3H7         T  18  -6.067  -8.580   3.691
  252    H6     T  18           H6         T  18  -6.890  -9.272   1.533
  253   1H5*    G  19          1H5*        G  19  -9.144 -13.317  -4.276
  254   2H5*    G  19          2H5*        G  19  -8.618 -12.340  -2.907
  255    H4*    G  19           H4*        G  19  -7.200 -12.075  -5.561
  256    H3*    G  19           H3*        G  19  -7.327 -14.582  -4.205
  257    H1*    G  19           H1*        G  19  -4.462 -12.237  -4.504
  258    H8     G  19           H8         G  19  -5.963 -12.042  -1.026
  259    H1     G  19           H1         G  19   0.449 -11.513  -1.224
  260   1H2     G  19          1H2         G  19   1.117 -11.695  -3.320
  261   2H2     G  19          2H2         G  19  -0.081 -11.825  -4.590
  262   1H2*    G  19          1H2*        G  19  -6.073 -13.868  -2.496
  263   2H2*    G  19          2H2*        G  19  -4.836 -14.503  -3.526
  264   1H5*    G  20          1H5*        G  20  -4.023 -13.083  -6.852
  265   2H5*    G  20          2H5*        G  20  -4.182 -13.989  -8.352
  266    H4*    G  20           H4*        G  20  -2.063 -12.980  -8.309
  267    H3*    G  20           H3*        G  20  -2.253 -15.767  -8.665
  268    H1*    G  20           H1*        G  20   0.453 -14.258  -6.244
  269    H8     G  20           H8         G  20  -2.926 -15.007  -4.737
  270    H1     G  20           H1         G  20   1.948 -14.966  -0.543
  271   1H2     G  20          1H2         G  20   3.875 -14.949  -1.699
  272   2H2     G  20          2H2         G  20   3.834 -14.591  -3.417
  273    H3T    G  20           H3T        G  20   0.161 -14.178  -8.704
  274   1H2*    G  20          1H2*        G  20  -1.677 -16.379  -6.524
  275   2H2*    G  20          2H2*        G  20  -0.036 -16.340  -7.223
  Start of MODEL    8
    1   1H5*    C   1          1H5*        C   1   7.243 -13.614   6.368
    2   2H5*    C   1          2H5*        C   1   5.668 -13.460   5.606
    3    H4*    C   1           H4*        C   1   8.158 -14.761   4.459
    4    H3*    C   1           H3*        C   1   7.492 -12.068   4.404
    5    H1*    C   1           H1*        C   1   6.345 -14.479   1.431
    6   1H4     C   1          1H4         C   1  -0.141 -14.480   2.724
    7   2H4     C   1          2H4         C   1   0.069 -14.428   0.957
    8    H5     C   1           H5         C   1   1.682 -14.161   4.224
    9    H6     C   1           H6         C   1   4.149 -14.045   4.368
   10   1H2*    C   1          1H2*        C   1   5.579 -12.150   3.127
   11   2H2*    C   1          2H2*        C   1   6.662 -12.282   1.694
   12    H5T    C   1           H5T        C   1   5.953 -15.989   5.461
   13   1H5*    C   2          1H5*        C   2   8.713 -13.011   0.141
   14   2H5*    C   2          2H5*        C   2  10.120 -12.021  -0.258
   15    H4*    C   2           H4*        C   2   8.745 -11.991  -2.125
   16    H3*    C   2           H3*        C   2   9.212  -9.538  -0.786
   17    H1*    C   2           H1*        C   2   5.938 -10.509  -2.550
   18   1H4     C   2          1H4         C   2   1.526 -10.656   2.280
   19   2H4     C   2          2H4         C   2   0.684 -11.379   0.925
   20    H5     C   2           H5         C   2   3.806 -10.511   2.458
   21    H6     C   2           H6         C   2   5.910 -10.228   1.175
   22   1H2*    C   2          1H2*        C   2   7.116  -9.064  -0.176
   23   2H2*    C   2          2H2*        C   2   6.948  -8.538  -1.876
   24   1H5*    A   3          1H5*        A   3   5.628 -10.288  -5.181
   25   2H5*    A   3          2H5*        A   3   6.426  -9.261  -6.374
   26    H4*    A   3           H4*        A   3   4.226  -8.345  -6.086
   27    H3*    A   3           H3*        A   3   6.386  -6.679  -5.197
   28    H1*    A   3           H1*        A   3   2.796  -6.936  -4.202
   29    H8     A   3           H8         A   3   4.793  -7.092  -1.255
   30   1H6     A   3          1H6         A   3  -0.790  -8.463   1.429
   31   2H6     A   3          2H6         A   3   0.902  -8.400   1.917
   32    H2     A   3           2H         A   3  -1.169  -8.112  -2.840
   33   1H2*    A   3          1H2*        A   3   5.703  -6.809  -3.067
   34   2H2*    A   3          2H2*        A   3   4.778  -5.447  -3.593
   35   1H5*    C   4          1H5*        C   4   2.828  -7.131  -8.007
   36   2H5*    C   4          2H5*        C   4   2.366  -6.212  -9.438
   37    H4*    C   4           H4*        C   4   0.455  -6.337  -8.104
   38    H3*    C   4           H3*        C   4   1.631  -3.661  -8.366
   39    H1*    C   4           H1*        C   4  -0.667  -5.462  -5.944
   40   1H4     C   4          1H4         C   4   1.445  -5.034   0.228
   41   2H4     C   4          2H4         C   4  -0.181  -5.689   0.151
   42    H5     C   4           H5         C   4   2.543  -4.450  -1.707
   43    H6     C   4           H6         C   4   2.463  -4.259  -4.123
   44   1H2*    C   4          1H2*        C   4   1.637  -3.394  -6.078
   45   2H2*    C   4          2H2*        C   4  -0.098  -3.085  -6.259
   46    H3*  HOB   5           H3*      HOL   5  -2.986   0.125  -8.822
   47   1H2*  HOB   5          1H2*      HOL   5  -2.020   2.134  -7.933
   48   2H2*  HOB   5          2H2*      HOL   5  -1.993   1.302  -6.390
   49    H1*  HOB   5           H1*      HOL   5   0.448   0.687  -6.824
   50   1H2   HOB   5          1H2       HOL   5   0.368   4.278  -7.535
   51   2H2   HOB   5          2H2       HOL   5  -0.004   3.112  -6.242
   52   1H3   HOB   5          1H3       HOL   5   2.581   2.396  -7.252
   53   2H3   HOB   5          2H3       HOL   5   2.604   4.140  -7.120
   54   1H4   HOB   5          1H4       HOL   5   3.478   3.125  -5.071
   55   2H4   HOB   5          2H4       HOL   5   1.979   3.996  -4.726
   56    H5   HOB   5           H5       HOL   5   1.104   2.034  -3.973
   57   9H    HOB   5          9H        HOL   5   0.682   0.821  -2.757
   58   1H10  HOB   5          1H10      HOL   5   1.650  -0.985  -1.473
   59   2H10  HOB   5          2H10      HOL   5   0.742  -2.168  -2.418
   60   6H1   HOB   5          6H1       HOL   5   0.725  -0.941   0.708
   61   1H17  HOB   5          1H17      HOL   5  -1.325   0.457   1.485
   62   2H17  HOB   5          2H17      HOL   5  -1.253  -1.171   2.136
   63   8H1   HOB   5          8H1       HOL   5  -2.952  -1.962   0.630
   64   9H1   HOB   5          9H1       HOL   5  -2.577   0.766  -0.646
   65   1H20  HOB   5          1H20      HOL   5  -4.721  -1.141  -1.603
   66   2H20  HOB   5          2H20      HOL   5  -4.388   0.495  -2.134
   67   1H21  HOB   5          1H21      HOL   5  -6.349   0.336  -0.673
   68   2H21  HOB   5          2H21      HOL   5  -5.128   1.427  -0.050
   69   1H24  HOB   5          1H24      HOL   5  -5.788  -2.418   1.812
   70   2H24  HOB   5          2H24      HOL   5  -5.122  -2.380   0.183
   71   3H24  HOB   5          3H24      HOL   5  -6.787  -1.871   0.462
   72   7H2   HOB   5          7H2       HOL   5  -5.859   1.303   2.302
   73   1H26  HOB   5          1H26      HOL   5  -5.790  -1.238   3.917
   74   2H26  HOB   5          2H26      HOL   5  -5.183   0.380   4.321
   75   1H25  HOB   5          1H25      HOL   5  -3.803  -1.873   3.050
   76   2H25  HOB   5          2H25      HOL   5  -3.099  -0.338   3.643
   77   3H2   HOB   5          3H2       HOL   5  -3.633   0.808   1.669
   78   8H2   HOB   5          8H2       HOL   5  -7.809  -1.034   2.525
   79   1H29  HOB   5          1H29      HOL   5  -8.083   1.671   1.131
   80   2H29  HOB   5          2H29      HOL   5  -9.441   0.567   1.446
   81   3H29  HOB   5          3H29      HOL   5  -8.170   0.054   0.386
   82   1H30  HOB   5          1H30      HOL   5  -7.809   1.737   3.786
   83   2H30  HOB   5          2H30      HOL   5  -7.518   0.221   4.632
   84   1H31  HOB   5          1H31      HOL   5 -10.165   1.048   3.424
   85   2H31  HOB   5          2H31      HOL   5  -9.704   1.093   5.114
   86   1H32  HOB   5          1H32      HOL   5  -9.365  -1.348   5.145
   87   2H32  HOB   5          2H32      HOL   5  -9.870  -1.466   3.455
   88   3H3   HOB   5          3H3       HOL   5 -11.648  -0.284   5.626
   89   1H34  HOB   5          1H34      HOL   5 -12.790  -2.432   5.767
   90   2H34  HOB   5          2H34      HOL   5 -11.080  -2.658   6.164
   91   3H34  HOB   5          3H34      HOL   5 -11.689  -3.142   4.574
   92   1H35  HOB   5          1H35      HOL   5 -13.463  -0.833   4.011
   93   2H35  HOB   5          2H35      HOL   5 -12.247  -1.372   2.839
   94   3H35  HOB   5          3H35      HOL   5 -12.319   0.331   3.338
   95   1H15  HOB   5          1H15      HOL   5  -1.594  -2.781  -2.815
   96   2H15  HOB   5          2H15      HOL   5  -3.282  -2.438  -2.496
   97   3H15  HOB   5          3H15      HOL   5  -2.217  -3.017  -1.184
   98   1H13  HOB   5          1H13      HOL   5  -2.767  -0.528  -3.662
   99   2H13  HOB   5          2H13      HOL   5  -2.023   0.825  -2.875
  100   1H14  HOB   5          1H14      HOL   5  -0.642  -1.403  -4.394
  101   2H14  HOB   5          2H14      HOL   5  -0.697   0.312  -4.786
  102    H4*  HOB   5           H4*      HOL   5  -0.680  -1.530  -7.959
  103   1H5*  HOB   5          1H5*      HOL   5  -2.283  -1.746 -10.051
  104   2H5*  HOB   5          2H5*      HOL   5  -1.246  -0.517 -10.758
  105   1H5*    G   6          1H5*        G   6  -3.605   1.100  -5.001
  106   2H5*    G   6          2H5*        G   6  -5.113   0.380  -4.425
  107    H4*    G   6           H4*        G   6  -6.380   2.253  -5.145
  108    H3*    G   6           H3*        G   6  -4.759   2.860  -7.158
  109    H1*    G   6           H1*        G   6  -4.296   4.951  -3.851
  110    H8     G   6           H8         G   6  -1.428   2.771  -4.709
  111    H1     G   6           H1         G   6  -2.150   3.179   1.623
  112   1H2     G   6          1H2         G   6  -4.272   3.595   2.033
  113   2H2     G   6          2H2         G   6  -5.337   4.135   0.739
  114   1H2*    G   6          1H2*        G   6  -2.866   3.272  -5.940
  115   2H2*    G   6          2H2*        G   6  -3.375   4.946  -6.030
  116   1H5*    G   7          1H5*        G   7  -5.915   8.362  -7.108
  117   2H5*    G   7          2H5*        G   7  -4.480   8.361  -6.107
  118    H4*    G   7           H4*        G   7  -7.077   6.896  -5.457
  119    H3*    G   7           H3*        G   7  -6.829   9.589  -5.429
  120    H1*    G   7           H1*        G   7  -5.937   7.673  -2.185
  121    H8     G   7           H8         G   7  -3.011   8.203  -4.529
  122    H1     G   7           H1         G   7  -1.297   6.205   1.386
  123   1H2     G   7          1H2         G   7  -3.051   6.585   2.721
  124   2H2     G   7          2H2         G   7  -4.595   7.081   2.023
  125   1H2*    G   7          1H2*        G   7  -4.799   9.569  -4.286
  126   2H2*    G   7          2H2*        G   7  -5.902   9.947  -2.931
  127   1H5*    A   8          1H5*        A   8  -8.003   8.653  -1.257
  128   2H5*    A   8          2H5*        A   8  -9.262   9.717  -0.633
  129    H4*    A   8           H4*        A   8  -7.562   9.546   0.992
  130    H3*    A   8           H3*        A   8  -8.048  12.169  -0.098
  131    H1*    A   8           H1*        A   8  -5.176  10.605   1.680
  132    H8     A   8           H8         A   8  -4.307  11.126  -1.967
  133   1H6     A   8          1H6         A   8   1.349   9.047  -0.323
  134   2H6     A   8          2H6         A   8   0.482   9.724  -1.717
  135    H2     A   8           2H         A   8  -0.976   9.229   3.201
  136   1H2*    A   8          1H2*        A   8  -5.785  12.362  -0.688
  137   2H2*    A   8          2H2*        A   8  -5.662  12.828   1.026
  138   1H5*    A   9          1H5*        A   9  -6.529  14.554   4.642
  139   2H5*    A   9          2H5*        A   9  -5.651  13.764   3.331
  140    H4*    A   9           H4*        A   9  -5.813  12.249   5.899
  141    H3*    A   9           H3*        A   9  -5.096  14.834   6.291
  142    H1*    A   9           H1*        A   9  -2.310  12.484   5.396
  143    H8     A   9           H8         A   9  -3.824  14.077   2.260
  144   1H6     A   9          1H6         A   9   1.687  12.624  -0.322
  145   2H6     A   9          2H6         A   9   0.210  13.582  -0.587
  146    H2     A   9           2H         A   9   1.614  11.084   3.745
  147   1H2*    A   9          1H2*        A   9  -3.766  14.932   4.462
  148   2H2*    A   9          2H2*        A   9  -2.594  14.773   5.797
  149   1H5*    C  10          1H5*        C  10  -1.703  12.109   7.572
  150   2H5*    C  10          2H5*        C  10  -1.200  12.523   9.214
  151    H4*    C  10           H4*        C  10   0.760  12.053   7.996
  152    H3*    C  10           H3*        C  10   0.300  14.873   8.770
  153    H1*    C  10           H1*        C  10   2.375  13.256   6.059
  154   1H4     C  10          1H4         C  10   0.095  16.567   0.851
  155   2H4     C  10          2H4         C  10   1.722  16.023   0.463
  156    H5     C  10           H5         C  10  -0.876  16.250   3.103
  157    H6     C  10           H6         C  10  -0.501  15.223   5.262
  158    H3T    C  10           H3T        C  10   2.514  13.017   8.804
  159   1H2*    C  10          1H2*        C  10   1.013  15.794   6.906
  160   2H2*    C  10          2H2*        C  10   2.646  15.131   7.225
  161   1H5*    G  11          1H5*        G  11  10.287  12.792  -5.451
  162   2H5*    G  11          2H5*        G  11   8.774  13.476  -4.872
  163    H4*    G  11           H4*        G  11  11.378  13.478  -3.305
  164    H3*    G  11           H3*        G  11   9.860  11.145  -3.759
  165    H1*    G  11           H1*        G  11   8.852  13.407  -0.629
  166    H8     G  11           H8         G  11   6.993  13.785  -4.008
  167    H1     G  11           H1         G  11   3.619  14.918   1.350
  168   1H2     G  11          1H2         G  11   4.912  14.333   3.062
  169   2H2     G  11          2H2         G  11   6.598  13.867   2.783
  170   1H2*    G  11          1H2*        G  11   7.954  11.592  -2.680
  171   2H2*    G  11          2H2*        G  11   8.925  11.388  -1.167
  172    H5T    G  11           H5T        G  11  10.601  15.357  -4.455
  173   1H5*    T  12          1H5*        T  12  10.433   7.833   0.142
  174   2H5*    T  12          2H5*        T  12   9.106   8.749  -0.602
  175    H4*    T  12           H4*        T  12  10.225   9.442   2.111
  176    H3*    T  12           H3*        T  12   8.998   7.063   1.788
  177   1H2*    T  12          1H2*        T  12   7.097   8.049   0.909
  178   2H2*    T  12          2H2*        T  12   6.628   7.999   2.663
  179    H1*    T  12           H1*        T  12   7.195  10.184   2.995
  180    H3     T  12           H3         T  12   3.075  11.505   1.329
  181   1H5M    T  12          1H7         T  12   4.688  10.073  -2.965
  182   2H5M    T  12          2H7         T  12   6.447  10.091  -2.717
  183   3H5M    T  12          3H7         T  12   5.578  11.617  -2.947
  184    H6     T  12           H6         T  12   7.238   9.998  -0.586
  185   1H5*    T  13          1H5*        T  13   7.558   8.982   5.864
  186   2H5*    T  13          2H5*        T  13   8.019   7.846   7.124
  187    H4*    T  13           H4*        T  13   5.972   8.856   7.743
  188    H3*    T  13           H3*        T  13   6.111   6.149   7.788
  189   1H2*    T  13          1H2*        T  13   5.121   5.883   5.753
  190   2H2*    T  13          2H2*        T  13   3.631   5.756   6.724
  191    H1*    T  13           H1*        T  13   3.074   8.016   6.383
  192    H3     T  13           H3         T  13   1.303   8.824   2.267
  193   1H5M    T  13          1H7         T  13   5.291   7.032   0.396
  194   2H5M    T  13          2H7         T  13   4.608   5.445   0.880
  195   3H5M    T  13          3H7         T  13   5.982   6.159   1.762
  196    H6     T  13           H6         T  13   5.210   6.542   3.872
  197   1H5*    C  14          1H5*        C  14   2.122   8.236   8.643
  198   2H5*    C  14          2H5*        C  14   1.519   7.689  10.213
  199    H4*    C  14           H4*        C  14  -0.321   8.361   8.855
  200    H3*    C  14           H3*        C  14  -0.226   5.828  10.041
  201    H1*    C  14           H1*        C  14  -1.806   6.779   6.765
  202   1H4     C  14          1H4         C  14   1.924   4.733   1.732
  203   2H4     C  14          2H4         C  14   0.561   5.554   0.995
  204    H5     C  14           H5         C  14   2.348   4.679   3.971
  205    H6     C  14           H6         C  14   1.387   5.023   6.278
  206   1H2*    C  14          1H2*        C  14   0.102   4.721   7.985
  207   2H2*    C  14          2H2*        C  14  -1.690   4.712   8.004
  208   1H5*    C  15          1H5*        C  15  -4.399   3.581  10.618
  209   2H5*    C  15          2H5*        C  15  -2.951   3.519   9.601
  210    H4*    C  15           H4*        C  15  -5.764   3.848   8.430
  211    H3*    C  15           H3*        C  15  -4.547   1.488   9.505
  212    H1*    C  15           H1*        C  15  -5.161   2.535   5.858
  213   1H4     C  15          1H4         C  15   1.001   2.154   3.579
  214   2H4     C  15          2H4         C  15  -0.046   2.461   2.181
  215    H5     C  15           H5         C  15   0.237   1.966   5.821
  216    H6     C  15           H6         C  15  -1.716   1.950   7.224
  217   1H2*    C  15          1H2*        C  15  -3.656   0.741   7.571
  218   2H2*    C  15          2H2*        C  15  -5.327   0.705   6.903
  219   1H5*    G  16          1H5*        G  16  -6.257  -2.462   9.157
  220   2H5*    G  16          2H5*        G  16  -5.031  -1.440   8.415
  221    H4*    G  16           H4*        G  16  -6.983  -2.752   6.557
  222    H3*    G  16           H3*        G  16  -5.730  -4.399   8.477
  223    H1*    G  16           H1*        G  16  -4.007  -3.715   4.924
  224    H8     G  16           H8         G  16  -3.003  -1.867   8.123
  225    H1     G  16           H1         G  16   1.647  -2.053   3.679
  226   1H2     G  16          1H2         G  16   1.096  -3.354   2.132
  227   2H2     G  16          2H2         G  16  -0.451  -4.226   2.119
  228   1H2*    G  16          1H2*        G  16  -3.574  -4.302   7.864
  229   2H2*    G  16          2H2*        G  16  -3.984  -5.331   6.546
  230   1H5*    G  17          1H5*        G  17  -9.944  -6.131   4.880
  231   2H5*    G  17          2H5*        G  17  -8.219  -6.335   4.554
  232    H4*    G  17           H4*        G  17  -9.798  -3.942   3.670
  233    H3*    G  17           H3*        G  17 -10.371  -6.368   2.602
  234    H1*    G  17           H1*        G  17  -7.619  -4.257   0.996
  235    H8     G  17           H8         G  17  -6.265  -5.632   4.109
  236    H1     G  17           H1         G  17  -2.050  -5.445  -0.792
  237   1H2     G  17          1H2         G  17  -3.192  -5.246  -2.638
  238   2H2     G  17          2H2         G  17  -4.927  -4.973  -2.586
  239   1H2*    G  17          1H2*        G  17  -8.056  -6.911   2.430
  240   2H2*    G  17          2H2*        G  17  -8.413  -6.470   0.740
  241   1H5*    T  18          1H5*        T  18  -8.882  -4.913  -1.405
  242   2H5*    T  18          2H5*        T  18 -10.047  -5.448  -2.618
  243    H4*    T  18           H4*        T  18  -8.039  -6.483  -3.360
  244    H3*    T  18           H3*        T  18  -9.691  -8.438  -1.872
  245   1H2*    T  18          1H2*        T  18  -7.877  -9.477  -1.205
  246   2H2*    T  18          2H2*        T  18  -7.415  -9.687  -2.921
  247    H1*    T  18           H1*        T  18  -5.951  -7.846  -2.908
  248    H3     T  18           H3         T  18  -2.287  -8.631  -0.396
  249   1H5M    T  18          1H7         T  18  -6.327  -8.093   2.982
  250   2H5M    T  18          2H7         T  18  -4.876  -8.975   3.524
  251   3H5M    T  18          3H7         T  18  -6.228  -9.859   2.764
  252    H6     T  18           H6         T  18  -6.980  -8.468   0.621
  253   1H5*    G  19          1H5*        G  19  -8.219 -11.932  -5.858
  254   2H5*    G  19          2H5*        G  19  -7.569 -11.661  -4.228
  255    H4*    G  19           H4*        G  19  -6.122 -10.863  -6.809
  256    H3*    G  19           H3*        G  19  -6.573 -13.399  -5.780
  257    H1*    G  19           H1*        G  19  -3.434 -11.460  -5.349
  258    H8     G  19           H8         G  19  -5.599 -11.228  -2.209
  259    H1     G  19           H1         G  19   0.740 -11.300  -1.023
  260   1H2     G  19          1H2         G  19   1.863 -11.383  -2.939
  261   2H2     G  19          2H2         G  19   0.953 -11.131  -4.413
  262   1H2*    G  19          1H2*        G  19  -5.571 -12.961  -3.806
  263   2H2*    G  19          2H2*        G  19  -4.251 -13.680  -4.648
  264   1H5*    G  20          1H5*        G  20  -2.681 -12.844  -8.414
  265   2H5*    G  20          2H5*        G  20  -2.822 -13.990  -9.739
  266    H4*    G  20           H4*        G  20  -0.538 -13.523  -9.383
  267    H3*    G  20           H3*        G  20  -1.403 -16.209  -9.316
  268    H1*    G  20           H1*        G  20   1.210 -14.797  -6.760
  269    H8     G  20           H8         G  20  -2.410 -14.540  -5.763
  270    H1     G  20           H1         G  20   1.708 -14.695  -0.800
  271   1H2     G  20          1H2         G  20   3.738 -14.877  -1.642
  272   2H2     G  20          2H2         G  20   3.969 -15.045  -3.397
  273    H3T    G  20           H3T        G  20   0.696 -16.638  -9.914
  274   1H2*    G  20          1H2*        G  20  -1.276 -16.495  -7.024
  275   2H2*    G  20          2H2*        G  20   0.417 -16.909  -7.419
  Start of MODEL    9
    1   1H5*    C   1          1H5*        C   1   7.417 -11.805   6.438
    2   2H5*    C   1          2H5*        C   1   5.814 -12.337   5.931
    3    H4*    C   1           H4*        C   1   8.390 -13.547   4.892
    4    H3*    C   1           H3*        C   1   7.662 -10.927   4.359
    5    H1*    C   1           H1*        C   1   6.718 -13.902   1.959
    6   1H4     C   1          1H4         C   1   0.135 -13.790   2.860
    7   2H4     C   1          2H4         C   1   0.439 -14.319   1.197
    8    H5     C   1           H5         C   1   1.863 -13.250   4.370
    9    H6     C   1           H6         C   1   4.323 -13.012   4.611
   10   1H2*    C   1          1H2*        C   1   5.672 -11.395   3.249
   11   2H2*    C   1          2H2*        C   1   6.696 -11.645   1.791
   12    H5T    C   1           H5T        C   1   7.571 -13.440   7.702
   13   1H5*    C   2          1H5*        C   2   8.403 -12.522   0.157
   14   2H5*    C   2          2H5*        C   2   9.847 -11.710  -0.433
   15    H4*    C   2           H4*        C   2   8.453 -11.696  -2.259
   16    H3*    C   2           H3*        C   2   8.941  -9.163  -1.081
   17    H1*    C   2           H1*        C   2   5.596 -10.215  -2.655
   18   1H4     C   2          1H4         C   2   1.557 -10.414   2.527
   19   2H4     C   2          2H4         C   2   0.624 -11.200   1.281
   20    H5     C   2           H5         C   2   3.776  -9.999   2.475
   21    H6     C   2           H6         C   2   5.785  -9.748   1.051
   22   1H2*    C   2          1H2*        C   2   6.887  -8.660  -0.416
   23   2H2*    C   2          2H2*        C   2   6.649  -8.227  -2.127
   24   1H5*    A   3          1H5*        A   3   5.346 -10.188  -5.612
   25   2H5*    A   3          2H5*        A   3   6.200  -8.975  -6.577
   26    H4*    A   3           H4*        A   3   3.839  -8.348  -6.333
   27    H3*    A   3           H3*        A   3   5.923  -6.540  -5.686
   28    H1*    A   3           H1*        A   3   2.411  -6.871  -4.461
   29    H8     A   3           H8         A   3   4.517  -6.695  -1.619
   30   1H6     A   3          1H6         A   3  -0.794  -8.385   1.431
   31   2H6     A   3          2H6         A   3   0.905  -8.131   1.811
   32    H2     A   3           2H         A   3  -1.437  -8.294  -2.825
   33   1H2*    A   3          1H2*        A   3   5.356  -6.548  -3.490
   34   2H2*    A   3          2H2*        A   3   4.324  -5.271  -4.067
   35   1H5*    C   4          1H5*        C   4   2.274  -7.542  -7.871
   36   2H5*    C   4          2H5*        C   4   1.688  -7.014  -9.452
   37    H4*    C   4           H4*        C   4  -0.217  -7.000  -8.117
   38    H3*    C   4           H3*        C   4   0.770  -4.383  -8.871
   39    H1*    C   4           H1*        C   4  -1.333  -5.771  -6.054
   40   1H4     C   4          1H4         C   4   1.175  -4.719  -0.161
   41   2H4     C   4          2H4         C   4  -0.382  -5.538  -0.023
   42    H5     C   4           H5         C   4   2.087  -4.257  -2.166
   43    H6     C   4           H6         C   4   1.848  -4.246  -4.571
   44   1H2*    C   4          1H2*        C   4   0.945  -3.762  -6.633
   45   2H2*    C   4          2H2*        C   4  -0.797  -3.458  -6.768
   46    H3*  HOB   5           H3*      HOL   5  -4.151  -0.740  -8.796
   47   1H2*  HOB   5          1H2*      HOL   5  -3.573   1.638  -9.333
   48   2H2*  HOB   5          2H2*      HOL   5  -4.561   1.900  -7.896
   49    H1*  HOB   5           H1*      HOL   5  -2.311   1.802  -6.508
   50   1H2   HOB   5          1H2       HOL   5  -2.100   5.009  -7.762
   51   2H2   HOB   5          2H2       HOL   5  -2.584   3.945  -6.432
   52   1H3   HOB   5          1H3       HOL   5   0.057   5.087  -7.150
   53   2H3   HOB   5          2H3       HOL   5  -0.575   4.771  -5.541
   54   1H4   HOB   5          1H4       HOL   5   0.581   2.713  -7.481
   55   2H4   HOB   5          2H4       HOL   5   1.480   3.483  -6.173
   56    H5   HOB   5           H5       HOL   5  -0.635   2.319  -4.840
   57   9H    HOB   5          9H        HOL   5  -0.656   1.164  -3.202
   58   1H10  HOB   5          1H10      HOL   5   0.699  -0.322  -1.907
   59   2H10  HOB   5          2H10      HOL   5   0.019  -1.748  -2.693
   60   6H1   HOB   5          6H1       HOL   5   0.097  -0.584   0.379
   61   1H17  HOB   5          1H17      HOL   5  -2.094   0.338   1.433
   62   2H17  HOB   5          2H17      HOL   5  -1.584  -1.222   2.041
   63   8H1   HOB   5          8H1       HOL   5  -3.256  -2.360   0.684
   64   9H1   HOB   5          9H1       HOL   5  -3.615   0.443  -0.452
   65   1H20  HOB   5          1H20      HOL   5  -5.441  -1.833  -1.252
   66   2H20  HOB   5          2H20      HOL   5  -5.508  -0.149  -1.735
   67   1H21  HOB   5          1H21      HOL   5  -7.194  -0.696  -0.047
   68   2H21  HOB   5          2H21      HOL   5  -6.087   0.563   0.499
   69   1H24  HOB   5          1H24      HOL   5  -5.356  -3.203   0.479
   70   2H24  HOB   5          2H24      HOL   5  -7.063  -3.014   0.910
   71   3H24  HOB   5          3H24      HOL   5  -5.876  -3.431   2.142
   72   7H2   HOB   5          7H2       HOL   5  -6.450   0.185   2.881
   73   1H26  HOB   5          1H26      HOL   5  -5.832  -2.412   4.287
   74   2H26  HOB   5          2H26      HOL   5  -5.467  -0.747   4.775
   75   1H25  HOB   5          1H25      HOL   5  -3.881  -2.619   3.152
   76   2H25  HOB   5          2H25      HOL   5  -3.370  -1.034   3.804
   77   3H2   HOB   5          3H2       HOL   5  -4.335   0.143   2.009
   78   8H2   HOB   5          8H2       HOL   5  -8.000  -2.427   3.163
   79   1H29  HOB   5          1H29      HOL   5  -8.852  -1.469   1.166
   80   2H29  HOB   5          2H29      HOL   5  -8.830   0.179   1.843
   81   3H29  HOB   5          3H29      HOL   5  -9.993  -1.031   2.430
   82   1H30  HOB   5          1H30      HOL   5  -7.772  -1.248   5.290
   83   2H30  HOB   5          2H30      HOL   5  -9.420  -1.310   4.735
   84   1H31  HOB   5          1H31      HOL   5  -9.615   0.961   4.460
   85   2H31  HOB   5          2H31      HOL   5  -7.929   1.193   4.012
   86   1H32  HOB   5          1H32      HOL   5  -8.914   0.565   6.810
   87   2H32  HOB   5          2H32      HOL   5  -7.221   0.819   6.359
   88   3H3   HOB   5          3H3       HOL   5  -9.415   2.922   6.052
   89   1H34  HOB   5          1H34      HOL   5  -7.497   3.341   4.543
   90   2H34  HOB   5          2H34      HOL   5  -6.369   3.154   5.903
   91   3H34  HOB   5          3H34      HOL   5  -7.512   4.512   5.861
   92   1H35  HOB   5          1H35      HOL   5  -9.046   2.359   8.421
   93   2H35  HOB   5          2H35      HOL   5  -8.408   3.971   8.053
   94   3H35  HOB   5          3H35      HOL   5  -7.295   2.594   8.215
   95   1H15  HOB   5          1H15      HOL   5  -2.692  -3.192  -1.246
   96   2H15  HOB   5          2H15      HOL   5  -2.217  -2.798  -2.890
   97   3H15  HOB   5          3H15      HOL   5  -3.913  -2.745  -2.469
   98   1H13  HOB   5          1H13      HOL   5  -4.000  -0.665  -3.450
   99   2H13  HOB   5          2H13      HOL   5  -3.262   0.730  -2.714
  100   1H14  HOB   5          1H14      HOL   5  -1.888  -1.322  -4.501
  101   2H14  HOB   5          2H14      HOL   5  -2.272   0.343  -4.895
  102    H4*  HOB   5           H4*      HOL   5  -1.919  -0.843  -6.965
  103   1H5*  HOB   5          1H5*      HOL   5  -1.884  -0.948 -10.002
  104   2H5*  HOB   5          2H5*      HOL   5  -0.563  -1.446  -8.932
  105   1H5*    G   6          1H5*        G   6  -7.990   0.860  -5.114
  106   2H5*    G   6          2H5*        G   6  -8.040   1.465  -6.761
  107    H4*    G   6           H4*        G   6  -8.708   3.112  -5.128
  108    H3*    G   6           H3*        G   6  -7.052   3.592  -7.246
  109    H1*    G   6           H1*        G   6  -6.174   4.987  -3.623
  110    H8     G   6           H8         G   6  -3.894   2.425  -5.273
  111    H1     G   6           H1         G   6  -2.455   3.346   0.831
  112   1H2     G   6          1H2         G   6  -4.402   3.355   1.857
  113   2H2     G   6          2H2         G   6  -5.876   3.614   0.954
  114   1H2*    G   6          1H2*        G   6  -5.087   3.812  -6.197
  115   2H2*    G   6          2H2*        G   6  -5.573   5.461  -5.826
  116   1H5*    G   7          1H5*        G   7  -7.374   8.906  -7.090
  117   2H5*    G   7          2H5*        G   7  -5.748   8.563  -6.505
  118    H4*    G   7           H4*        G   7  -8.335   7.671  -5.161
  119    H3*    G   7           H3*        G   7  -7.451  10.251  -5.301
  120    H1*    G   7           H1*        G   7  -6.531   8.048  -2.271
  121    H8     G   7           H8         G   7  -3.974   8.038  -5.025
  122    H1     G   7           H1         G   7  -1.490   6.600   0.761
  123   1H2     G   7          1H2         G   7  -3.146   6.685   2.238
  124   2H2     G   7          2H2         G   7  -4.792   6.999   1.716
  125   1H2*    G   7          1H2*        G   7  -5.325   9.781  -4.497
  126   2H2*    G   7          2H2*        G   7  -6.099  10.312  -2.973
  127   1H5*    A   8          1H5*        A   8  -8.088   9.525  -0.904
  128   2H5*    A   8          2H5*        A   8  -9.149  10.759  -0.218
  129    H4*    A   8           H4*        A   8  -7.386  10.538   1.315
  130    H3*    A   8           H3*        A   8  -7.412  13.060  -0.085
  131    H1*    A   8           H1*        A   8  -4.761  11.117   1.592
  132    H8     A   8           H8         A   8  -4.167  10.994  -2.143
  133   1H6     A   8          1H6         A   8   1.611   9.137  -0.420
  134   2H6     A   8          2H6         A   8   0.823   9.825  -1.840
  135    H2     A   8           2H         A   8  -0.767   9.260   3.032
  136   1H2*    A   8          1H2*        A   8  -5.314  12.571  -1.000
  137   2H2*    A   8          2H2*        A   8  -4.799  13.313   0.476
  138   1H5*    A   9          1H5*        A   9  -6.718  14.219   5.481
  139   2H5*    A   9          2H5*        A   9  -5.764  14.100   3.997
  140    H4*    A   9           H4*        A   9  -5.695  11.892   6.043
  141    H3*    A   9           H3*        A   9  -4.804  14.346   6.914
  142    H1*    A   9           H1*        A   9  -2.369  11.985   5.441
  143    H8     A   9           H8         A   9  -3.739  14.084   2.550
  144   1H6     A   9          1H6         A   9   1.830  12.625  -0.045
  145   2H6     A   9          2H6         A   9   0.290  13.364  -0.494
  146    H2     A   9           2H         A   9   1.720  11.102   3.979
  147   1H2*    A   9          1H2*        A   9  -3.543  14.729   5.030
  148   2H2*    A   9          2H2*        A   9  -2.343  14.190   6.256
  149   1H5*    C  10          1H5*        C  10  -1.213  11.309   7.629
  150   2H5*    C  10          2H5*        C  10  -0.805  11.488   9.341
  151    H4*    C  10           H4*        C  10   1.266  11.540   8.289
  152    H3*    C  10           H3*        C  10   0.285  14.242   9.084
  153    H1*    C  10           H1*        C  10   2.766  12.977   6.530
  154   1H4     C  10          1H4         C  10   0.664  16.208   1.226
  155   2H4     C  10          2H4         C  10   2.400  15.863   1.109
  156    H5     C  10           H5         C  10  -0.537  15.743   3.433
  157    H6     C  10           H6         C  10  -0.253  14.668   5.561
  158    H3T    C  10           H3T        C  10   2.780  12.792   9.384
  159   1H2*    C  10          1H2*        C  10   1.071  15.317   7.373
  160   2H2*    C  10          2H2*        C  10   2.730  14.825   7.808
  161   1H5*    G  11          1H5*        G  11  11.565  14.832  -3.733
  162   2H5*    G  11          2H5*        G  11  12.052  13.208  -4.213
  163    H4*    G  11           H4*        G  11  12.406  13.401  -1.913
  164    H3*    G  11           H3*        G  11  10.540  11.438  -2.837
  165    H1*    G  11           H1*        G  11   9.835  13.627   0.437
  166    H8     G  11           H8         G  11   8.272  14.586  -2.898
  167    H1     G  11           H1         G  11   4.369  14.836   2.249
  168   1H2     G  11          1H2         G  11   5.556  14.025   3.984
  169   2H2     G  11          2H2         G  11   7.275  13.627   3.801
  170   1H2*    G  11          1H2*        G  11   8.708  12.026  -1.692
  171   2H2*    G  11          2H2*        G  11   9.621  11.666  -0.183
  172    H5T    G  11           H5T        G  11  10.089  14.091  -5.142
  173   1H5*    T  12          1H5*        T  12  11.229  10.963   1.498
  174   2H5*    T  12          2H5*        T  12  11.719   9.327   1.959
  175    H4*    T  12           H4*        T  12   9.991  10.121   3.473
  176    H3*    T  12           H3*        T  12   9.583   7.738   1.980
  177   1H2*    T  12          1H2*        T  12   7.620   8.493   1.246
  178   2H2*    T  12          2H2*        T  12   7.016   8.142   2.914
  179    H1*    T  12           H1*        T  12   7.249  10.339   3.588
  180    H3     T  12           H3         T  12   3.232  11.655   1.650
  181   1H5M    T  12          1H7         T  12   5.274  11.312  -2.644
  182   2H5M    T  12          2H7         T  12   6.860  10.596  -2.222
  183   3H5M    T  12          3H7         T  12   6.630  12.332  -2.099
  184    H6     T  12           H6         T  12   7.653  10.575   0.062
  185   1H5*    T  13          1H5*        T  13   7.648   8.670   6.119
  186   2H5*    T  13          2H5*        T  13   7.971   7.269   7.144
  187    H4*    T  13           H4*        T  13   5.962   8.360   7.848
  188    H3*    T  13           H3*        T  13   6.068   5.670   7.536
  189   1H2*    T  13          1H2*        T  13   5.225   5.687   5.425
  190   2H2*    T  13          2H2*        T  13   3.705   5.395   6.272
  191    H1*    T  13           H1*        T  13   3.104   7.710   6.209
  192    H3     T  13           H3         T  13   1.555   8.914   2.093
  193   1H5M    T  13          1H7         T  13   5.829   7.670   0.391
  194   2H5M    T  13          2H7         T  13   5.146   6.015   0.492
  195   3H5M    T  13          3H7         T  13   6.412   6.550   1.623
  196    H6     T  13           H6         T  13   5.478   6.675   3.704
  197   1H5*    C  14          1H5*        C  14   1.968   7.574   8.451
  198   2H5*    C  14          2H5*        C  14   1.287   6.750   9.854
  199    H4*    C  14           H4*        C  14  -0.500   7.624   8.529
  200    H3*    C  14           H3*        C  14  -0.526   4.926   9.211
  201    H1*    C  14           H1*        C  14  -1.765   6.332   6.081
  202   1H4     C  14          1H4         C  14   1.966   5.455   0.704
  203   2H4     C  14          2H4         C  14   0.409   6.034   0.154
  204    H5     C  14           H5         C  14   2.495   5.107   2.924
  205    H6     C  14           H6         C  14   1.626   5.186   5.313
  206   1H2*    C  14          1H2*        C  14   0.365   4.400   7.013
  207   2H2*    C  14          2H2*        C  14  -1.401   4.065   6.801
  208   1H5*    C  15          1H5*        C  15  -3.430   2.299   9.928
  209   2H5*    C  15          2H5*        C  15  -2.174   2.900   8.834
  210    H4*    C  15           H4*        C  15  -4.845   1.772   7.830
  211    H3*    C  15           H3*        C  15  -2.453   0.393   8.750
  212    H1*    C  15           H1*        C  15  -4.070   0.908   5.356
  213   1H4     C  15          1H4         C  15   1.222   2.601   1.762
  214   2H4     C  15          2H4         C  15  -0.222   2.883   0.790
  215    H5     C  15           H5         C  15   1.069   2.258   4.215
  216    H6     C  15           H6         C  15  -0.445   1.500   5.926
  217   1H2*    C  15          1H2*        C  15  -1.645  -0.158   6.690
  218   2H2*    C  15          2H2*        C  15  -3.236  -0.760   6.202
  219   1H5*    G  16          1H5*        G  16  -6.629  -3.849   9.492
  220   2H5*    G  16          2H5*        G  16  -4.907  -3.610   9.275
  221    H4*    G  16           H4*        G  16  -7.033  -3.519   7.095
  222    H3*    G  16           H3*        G  16  -6.058  -5.758   8.396
  223    H1*    G  16           H1*        G  16  -4.196  -4.408   5.130
  224    H8     G  16           H8         G  16  -2.929  -3.334   8.589
  225    H1     G  16           H1         G  16   1.318  -2.328   3.860
  226   1H2     G  16          1H2         G  16   0.501  -3.084   1.981
  227   2H2     G  16          2H2         G  16  -1.005  -4.018   2.000
  228   1H2*    G  16          1H2*        G  16  -3.822  -5.546   7.934
  229   2H2*    G  16          2H2*        G  16  -4.197  -6.324   6.452
  230   1H5*    G  17          1H5*        G  17  -8.932  -5.468   5.678
  231   2H5*    G  17          2H5*        G  17 -10.191  -6.667   5.426
  232    H4*    G  17           H4*        G  17  -9.974  -5.116   3.630
  233    H3*    G  17           H3*        G  17 -10.285  -7.789   3.199
  234    H1*    G  17           H1*        G  17  -7.915  -5.655   1.033
  235    H8     G  17           H8         G  17  -6.293  -6.567   4.174
  236    H1     G  17           H1         G  17  -2.284  -5.588  -0.802
  237   1H2     G  17          1H2         G  17  -3.491  -5.581  -2.623
  238   2H2     G  17          2H2         G  17  -5.223  -5.729  -2.511
  239   1H2*    G  17          1H2*        G  17  -7.985  -8.102   2.832
  240   2H2*    G  17          2H2*        G  17  -8.547  -7.929   1.141
  241   1H5*    T  18          1H5*        T  18  -9.318  -6.479  -0.946
  242   2H5*    T  18          2H5*        T  18 -10.467  -7.093  -2.137
  243    H4*    T  18           H4*        T  18  -8.431  -7.982  -2.981
  244    H3*    T  18           H3*        T  18  -9.791 -10.067  -1.402
  245   1H2*    T  18          1H2*        T  18  -7.838 -10.794  -0.698
  246   2H2*    T  18          2H2*        T  18  -7.397 -11.059  -2.442
  247    H1*    T  18           H1*        T  18  -6.184  -9.065  -2.584
  248    H3     T  18           H3         T  18  -2.353  -8.797  -0.281
  249   1H5M    T  18          1H7         T  18  -5.475 -10.785   3.263
  250   2H5M    T  18          2H7         T  18  -6.293  -9.195   3.287
  251   3H5M    T  18          3H7         T  18  -4.612  -9.309   3.787
  252    H6     T  18           H6         T  18  -6.883  -9.727   1.025
  253   1H5*    G  19          1H5*        G  19  -8.122 -13.699  -5.306
  254   2H5*    G  19          2H5*        G  19  -7.567 -13.266  -3.672
  255    H4*    G  19           H4*        G  19  -6.229 -12.374  -6.256
  256    H3*    G  19           H3*        G  19  -6.158 -14.927  -5.179
  257    H1*    G  19           H1*        G  19  -3.475 -12.384  -4.674
  258    H8     G  19           H8         G  19  -5.670 -12.602  -1.585
  259    H1     G  19           H1         G  19   0.566 -11.184  -0.645
  260   1H2     G  19          1H2         G  19   1.565 -11.217  -2.612
  261   2H2     G  19          2H2         G  19   0.588 -11.419  -4.055
  262   1H2*    G  19          1H2*        G  19  -5.317 -14.284  -3.169
  263   2H2*    G  19          2H2*        G  19  -3.852 -14.711  -3.988
  264   1H5*    G  20          1H5*        G  20  -2.735 -13.473  -8.154
  265   2H5*    G  20          2H5*        G  20  -2.539 -14.746  -9.358
  266    H4*    G  20           H4*        G  20  -0.530 -13.424  -9.178
  267    H3*    G  20           H3*        G  20  -0.462 -16.232  -9.012
  268    H1*    G  20           H1*        G  20   1.645 -14.024  -6.537
  269    H8     G  20           H8         G  20  -1.890 -14.656  -5.446
  270    H1     G  20           H1         G  20   2.222 -14.388  -0.525
  271   1H2     G  20          1H2         G  20   4.253 -14.254  -1.298
  272   2H2     G  20          2H2         G  20   4.554 -14.183  -3.041
  273    H3T    G  20           H3T        G  20   1.570 -15.992  -9.816
  274   1H2*    G  20          1H2*        G  20  -0.241 -16.379  -6.724
  275   2H2*    G  20          2H2*        G  20   1.493 -16.290  -7.135
  Start of MODEL   10
    1   1H5*    C   1          1H5*        C   1   7.476 -11.638   7.031
    2   2H5*    C   1          2H5*        C   1   5.868 -12.120   6.488
    3    H4*    C   1           H4*        C   1   8.464 -13.117   5.280
    4    H3*    C   1           H3*        C   1   7.383 -10.552   4.818
    5    H1*    C   1           H1*        C   1   6.684 -13.689   2.498
    6   1H4     C   1          1H4         C   1   0.115 -13.776   3.514
    7   2H4     C   1          2H4         C   1   0.419 -14.121   1.809
    8    H5     C   1           H5         C   1   1.890 -13.258   5.046
    9    H6     C   1           H6         C   1   4.351 -12.999   5.248
   10   1H2*    C   1          1H2*        C   1   5.536 -11.151   3.624
   11   2H2*    C   1          2H2*        C   1   6.621 -11.444   2.222
   12    H5T    C   1           H5T        C   1   6.642 -14.384   6.839
   13   1H5*    C   2          1H5*        C   2   8.586 -12.144   0.667
   14   2H5*    C   2          2H5*        C   2   9.913 -11.124   0.090
   15    H4*    C   2           H4*        C   2   8.571 -11.477  -1.779
   16    H3*    C   2           H3*        C   2   8.811  -8.865  -0.779
   17    H1*    C   2           H1*        C   2   5.622 -10.288  -2.370
   18   1H4     C   2          1H4         C   2   1.218 -10.528   2.567
   19   2H4     C   2          2H4         C   2   0.412 -11.161   1.160
   20    H5     C   2           H5         C   2   3.491 -10.055   2.654
   21    H6     C   2           H6         C   2   5.568  -9.724   1.332
   22   1H2*    C   2          1H2*        C   2   6.662  -8.529  -0.152
   23   2H2*    C   2          2H2*        C   2   6.446  -8.195  -1.897
   24   1H5*    A   3          1H5*        A   3   5.378 -10.135  -5.366
   25   2H5*    A   3          2H5*        A   3   6.247  -8.969  -6.383
   26    H4*    A   3           H4*        A   3   3.917  -8.274  -6.201
   27    H3*    A   3           H3*        A   3   5.976  -6.514  -5.359
   28    H1*    A   3           H1*        A   3   2.417  -6.870  -4.368
   29    H8     A   3           H8         A   3   4.272  -6.790  -1.380
   30   1H6     A   3          1H6         A   3  -1.286  -8.551   1.154
   31   2H6     A   3          2H6         A   3   0.318  -8.103   1.688
   32    H2     A   3           2H         A   3  -1.519  -8.308  -3.147
   33   1H2*    A   3          1H2*        A   3   5.291  -6.648  -3.197
   34   2H2*    A   3          2H2*        A   3   4.338  -5.316  -3.762
   35   1H5*    C   4          1H5*        C   4   2.513  -7.275  -8.178
   36   2H5*    C   4          2H5*        C   4   2.037  -6.449  -9.664
   37    H4*    C   4           H4*        C   4   0.076  -6.743  -8.379
   38    H3*    C   4           H3*        C   4   0.868  -4.053  -8.982
   39    H1*    C   4           H1*        C   4  -1.102  -5.599  -6.234
   40   1H4     C   4          1H4         C   4   0.964  -4.561  -0.146
   41   2H4     C   4          2H4         C   4  -0.574  -5.451  -0.121
   42    H5     C   4           H5         C   4   2.051  -4.241  -2.087
   43    H6     C   4           H6         C   4   1.991  -4.213  -4.524
   44   1H2*    C   4          1H2*        C   4   1.270  -3.673  -6.637
   45   2H2*    C   4          2H2*        C   4  -0.459  -3.244  -6.676
   46    H3*  HOB   5           H3*      HOL   5  -3.339  -0.087  -9.110
   47   1H2*  HOB   5          1H2*      HOL   5  -2.712   2.320  -9.345
   48   2H2*  HOB   5          2H2*      HOL   5  -3.742   2.450  -7.910
   49    H1*  HOB   5           H1*      HOL   5  -1.550   2.081  -6.480
   50   1H2   HOB   5          1H2       HOL   5  -1.464   5.456  -7.375
   51   2H2   HOB   5          2H2       HOL   5  -2.179   4.242  -6.319
   52   1H3   HOB   5          1H3       HOL   5   0.397   5.630  -6.149
   53   2H3   HOB   5          2H3       HOL   5  -0.489   4.850  -4.856
   54   1H4   HOB   5          1H4       HOL   5   1.275   3.377  -6.882
   55   2H4   HOB   5          2H4       HOL   5   1.864   4.005  -5.345
   56    H5   HOB   5           H5       HOL   5  -0.195   2.459  -4.497
   57   9H    HOB   5          9H        HOL   5  -0.319   1.131  -3.103
   58   1H10  HOB   5          1H10      HOL   5   0.947  -0.552  -1.902
   59   2H10  HOB   5          2H10      HOL   5   0.234  -1.843  -2.872
   60   6H1   HOB   5          6H1       HOL   5   0.130  -0.752   0.303
   61   1H17  HOB   5          1H17      HOL   5  -2.101   0.297   1.148
   62   2H17  HOB   5          2H17      HOL   5  -1.718  -1.275   1.824
   63   8H1   HOB   5          8H1       HOL   5  -3.295  -2.357   0.317
   64   9H1   HOB   5          9H1       HOL   5  -3.437   0.452  -0.833
   65   1H20  HOB   5          1H20      HOL   5  -5.299  -1.709  -1.826
   66   2H20  HOB   5          2H20      HOL   5  -5.247  -0.012  -2.263
   67   1H21  HOB   5          1H21      HOL   5  -7.080  -0.534  -0.753
   68   2H21  HOB   5          2H21      HOL   5  -5.991   0.664  -0.067
   69   1H24  HOB   5          1H24      HOL   5  -5.977  -3.375   1.481
   70   2H24  HOB   5          2H24      HOL   5  -5.335  -3.120  -0.140
   71   3H24  HOB   5          3H24      HOL   5  -7.061  -2.944   0.163
   72   7H2   HOB   5          7H2       HOL   5  -6.734   0.170   2.263
   73   1H26  HOB   5          1H26      HOL   5  -6.117  -2.421   3.673
   74   2H26  HOB   5          2H26      HOL   5  -5.853  -0.749   4.200
   75   1H25  HOB   5          1H25      HOL   5  -4.058  -2.557   2.744
   76   2H25  HOB   5          2H25      HOL   5  -3.676  -0.954   3.440
   77   3H2   HOB   5          3H2       HOL   5  -4.427   0.184   1.548
   78   8H2   HOB   5          8H2       HOL   5  -8.174  -2.515   2.169
   79   1H29  HOB   5          1H29      HOL   5 -10.084  -1.045   1.295
   80   2H29  HOB   5          2H29      HOL   5  -8.770  -1.297   0.207
   81   3H29  HOB   5          3H29      HOL   5  -8.884   0.244   1.100
   82   1H30  HOB   5          1H30      HOL   5  -8.860  -0.071   3.840
   83   2H30  HOB   5          2H30      HOL   5  -8.172  -1.586   4.441
   84   1H31  HOB   5          1H31      HOL   5 -10.190  -2.785   3.435
   85   2H31  HOB   5          2H31      HOL   5 -10.918  -1.177   3.266
   86   1H32  HOB   5          1H32      HOL   5 -10.759  -0.801   5.670
   87   2H32  HOB   5          2H32      HOL   5  -9.909  -2.341   5.877
   88   3H3   HOB   5          3H3       HOL   5 -11.914  -3.567   5.062
   89   1H34  HOB   5          1H34      HOL   5 -13.265  -0.831   5.080
   90   2H34  HOB   5          2H34      HOL   5 -14.108  -2.394   4.970
   91   3H34  HOB   5          3H34      HOL   5 -13.030  -1.886   3.666
   92   1H35  HOB   5          1H35      HOL   5 -12.418  -1.659   7.386
   93   2H35  HOB   5          2H35      HOL   5 -11.562  -3.215   7.463
   94   3H35  HOB   5          3H35      HOL   5 -13.288  -3.177   7.083
   95   1H15  HOB   5          1H15      HOL   5  -2.679  -3.226  -1.621
   96   2H15  HOB   5          2H15      HOL   5  -2.020  -2.826  -3.209
   97   3H15  HOB   5          3H15      HOL   5  -3.741  -2.679  -2.943
   98   1H13  HOB   5          1H13      HOL   5  -3.592  -0.630  -3.887
   99   2H13  HOB   5          2H13      HOL   5  -2.953   0.726  -3.021
  100   1H14  HOB   5          1H14      HOL   5  -1.387  -1.224  -4.745
  101   2H14  HOB   5          2H14      HOL   5  -1.720   0.480  -5.054
  102    H4*  HOB   5           H4*      HOL   5  -1.277  -0.304  -7.039
  103   1H5*  HOB   5          1H5*      HOL   5  -1.219  -0.774 -10.026
  104   2H5*  HOB   5          2H5*      HOL   5   0.086  -1.235  -8.892
  105   1H5*    G   6          1H5*        G   6  -7.216   0.886  -5.102
  106   2H5*    G   6          2H5*        G   6  -7.589   1.448  -6.730
  107    H4*    G   6           H4*        G   6  -8.300   3.058  -5.198
  108    H3*    G   6           H3*        G   6  -6.760   3.841  -7.284
  109    H1*    G   6           H1*        G   6  -5.798   5.072  -3.620
  110    H8     G   6           H8         G   6  -3.461   2.624  -5.358
  111    H1     G   6           H1         G   6  -2.311   3.100   0.867
  112   1H2     G   6          1H2         G   6  -4.233   3.116   1.836
  113   2H2     G   6          2H2         G   6  -5.725   3.413   0.977
  114   1H2*    G   6          1H2*        G   6  -4.743   3.958  -6.232
  115   2H2*    G   6          2H2*        G   6  -5.213   5.607  -5.827
  116   1H5*    G   7          1H5*        G   7  -7.336   9.222  -6.611
  117   2H5*    G   7          2H5*        G   7  -5.685   8.942  -6.075
  118    H4*    G   7           H4*        G   7  -8.198   7.865  -4.741
  119    H3*    G   7           H3*        G   7  -7.357  10.467  -4.730
  120    H1*    G   7           H1*        G   7  -6.253   8.077  -1.898
  121    H8     G   7           H8         G   7  -3.804   8.297  -4.776
  122    H1     G   7           H1         G   7  -1.159   6.248   0.763
  123   1H2     G   7          1H2         G   7  -2.722   6.383   2.354
  124   2H2     G   7          2H2         G   7  -4.335   6.928   1.922
  125   1H2*    G   7          1H2*        G   7  -5.211   9.964  -4.069
  126   2H2*    G   7          2H2*        G   7  -5.906  10.376  -2.462
  127   1H5*    A   8          1H5*        A   8  -7.998   9.622  -0.237
  128   2H5*    A   8          2H5*        A   8  -8.814  10.990   0.532
  129    H4*    A   8           H4*        A   8  -6.861  10.442   1.826
  130    H3*    A   8           H3*        A   8  -6.945  13.064   0.590
  131    H1*    A   8           H1*        A   8  -4.320  10.833   1.922
  132    H8     A   8           H8         A   8  -3.938  11.118  -1.827
  133   1H6     A   8          1H6         A   8   1.813   8.768  -0.697
  134   2H6     A   8          2H6         A   8   0.828   9.341  -2.052
  135    H2     A   8           2H         A   8  -0.318   8.873   2.958
  136   1H2*    A   8          1H2*        A   8  -4.875  12.703  -0.386
  137   2H2*    A   8          2H2*        A   8  -4.279  13.149   1.169
  138   1H5*    A   9          1H5*        A   9  -6.279  13.271   6.472
  139   2H5*    A   9          2H5*        A   9  -5.377  13.652   4.994
  140    H4*    A   9           H4*        A   9  -5.273  10.907   6.267
  141    H3*    A   9           H3*        A   9  -4.428  13.057   7.722
  142    H1*    A   9           H1*        A   9  -1.921  11.326   5.606
  143    H8     A   9           H8         A   9  -3.539  14.007   3.397
  144   1H6     A   9          1H6         A   9   1.608  12.926  -0.089
  145   2H6     A   9          2H6         A   9   0.087  13.827  -0.163
  146    H2     A   9           2H         A   9   2.013  10.839   3.611
  147   1H2*    A   9          1H2*        A   9  -3.288  13.996   5.978
  148   2H2*    A   9          2H2*        A   9  -1.993  13.240   6.979
  149   1H5*    C  10          1H5*        C  10  -0.800  10.108   7.736
  150   2H5*    C  10          2H5*        C  10  -0.202   9.994   9.391
  151    H4*    C  10           H4*        C  10   1.686  10.235   7.999
  152    H3*    C  10           H3*        C  10   1.017  12.606   9.652
  153    H1*    C  10           H1*        C  10   2.991  12.065   6.491
  154   1H4     C  10          1H4         C  10   0.373  16.771   2.667
  155   2H4     C  10          2H4         C  10   1.906  16.215   1.979
  156    H5     C  10           H5         C  10  -0.521  15.649   4.733
  157    H6     C  10           H6         C  10  -0.004  14.067   6.470
  158    H3T    C  10           H3T        C  10   3.401  11.065   9.022
  159   1H2*    C  10          1H2*        C  10   1.547  14.113   8.145
  160   2H2*    C  10          2H2*        C  10   3.238  13.529   8.163
  161   1H5*    G  11          1H5*        G  11   9.590  14.706  -5.463
  162   2H5*    G  11          2H5*        G  11   8.079  14.766  -4.571
  163    H4*    G  11           H4*        G  11  10.861  15.470  -3.523
  164    H3*    G  11           H3*        G  11   9.826  12.908  -3.850
  165    H1*    G  11           H1*        G  11   8.935  14.696  -0.435
  166    H8     G  11           H8         G  11   6.551  15.375  -3.368
  167    H1     G  11           H1         G  11   3.885  15.059   2.470
  168   1H2     G  11          1H2         G  11   5.350  14.086   3.802
  169   2H2     G  11          2H2         G  11   7.049  13.953   3.339
  170   1H2*    G  11          1H2*        G  11   7.952  13.056  -2.612
  171   2H2*    G  11          2H2*        G  11   9.054  12.762  -1.216
  172    H5T    G  11           H5T        G  11   8.191  17.020  -4.529
  173   1H5*    T  12          1H5*        T  12  11.104   9.459  -0.344
  174   2H5*    T  12          2H5*        T  12   9.588  10.140  -0.959
  175    H4*    T  12           H4*        T  12  10.626  10.587   1.854
  176    H3*    T  12           H3*        T  12   9.690   8.152   1.112
  177   1H2*    T  12          1H2*        T  12   7.647   9.013   0.436
  178   2H2*    T  12          2H2*        T  12   7.242   8.640   2.169
  179    H1*    T  12           H1*        T  12   7.564  10.769   2.845
  180    H3     T  12           H3         T  12   3.255  11.756   1.449
  181   1H5M    T  12          1H7         T  12   4.845  11.299  -3.032
  182   2H5M    T  12          2H7         T  12   6.606  11.387  -2.803
  183   3H5M    T  12          3H7         T  12   5.653  12.869  -2.761
  184    H6     T  12           H6         T  12   7.519  11.164  -0.716
  185   1H5*    T  13          1H5*        T  13   8.226   9.169   5.643
  186   2H5*    T  13          2H5*        T  13   8.593   7.725   6.589
  187    H4*    T  13           H4*        T  13   6.562   8.895   7.232
  188    H3*    T  13           H3*        T  13   6.745   6.228   7.364
  189   1H2*    T  13          1H2*        T  13   5.859   5.883   5.261
  190   2H2*    T  13          2H2*        T  13   4.364   5.657   6.222
  191    H1*    T  13           H1*        T  13   3.675   7.890   5.832
  192    H3     T  13           H3         T  13   1.955   8.661   1.753
  193   1H5M    T  13          1H7         T  13   5.808   5.833   0.289
  194   2H5M    T  13          2H7         T  13   7.005   6.735   1.264
  195   3H5M    T  13          3H7         T  13   6.209   7.540  -0.084
  196    H6     T  13           H6         T  13   6.005   6.667   3.364
  197   1H5*    C  14          1H5*        C  14   2.450   8.000   8.320
  198   2H5*    C  14          2H5*        C  14   1.836   7.236   9.789
  199    H4*    C  14           H4*        C  14   0.040   7.645   8.261
  200    H3*    C  14           H3*        C  14   0.455   5.018   9.262
  201    H1*    C  14           H1*        C  14  -1.115   6.229   6.174
  202   1H4     C  14          1H4         C  14   2.246   5.288   0.614
  203   2H4     C  14          2H4         C  14   0.650   5.831   0.130
  204    H5     C  14           H5         C  14   2.945   5.038   2.777
  205    H6     C  14           H6         C  14   2.230   5.046   5.208
  206   1H2*    C  14          1H2*        C  14   1.043   4.274   7.055
  207   2H2*    C  14          2H2*        C  14  -0.747   3.994   7.028
  208   1H5*    C  15          1H5*        C  15  -2.919   2.172   9.862
  209   2H5*    C  15          2H5*        C  15  -1.600   2.529   8.731
  210    H4*    C  15           H4*        C  15  -4.453   1.820   7.894
  211    H3*    C  15           H3*        C  15  -2.254   0.121   8.671
  212    H1*    C  15           H1*        C  15  -3.817   0.845   5.302
  213   1H4     C  15          1H4         C  15   1.517   2.514   1.740
  214   2H4     C  15          2H4         C  15   0.048   2.709   0.784
  215    H5     C  15           H5         C  15   1.363   2.141   4.205
  216    H6     C  15           H6         C  15  -0.170   1.413   5.930
  217   1H2*    C  15          1H2*        C  15  -1.418  -0.318   6.602
  218   2H2*    C  15          2H2*        C  15  -3.044  -0.853   6.102
  219   1H5*    G  16          1H5*        G  16  -6.749  -3.669   8.985
  220   2H5*    G  16          2H5*        G  16  -5.017  -3.442   8.842
  221    H4*    G  16           H4*        G  16  -7.100  -2.875   6.679
  222    H3*    G  16           H3*        G  16  -6.378  -5.365   7.737
  223    H1*    G  16           H1*        G  16  -4.339  -3.901   4.630
  224    H8     G  16           H8         G  16  -3.073  -3.599   8.263
  225    H1     G  16           H1         G  16   1.515  -2.916   3.790
  226   1H2     G  16          1H2         G  16   0.599  -3.274   1.758
  227   2H2     G  16          2H2         G  16  -1.104  -3.719   1.704
  228   1H2*    G  16          1H2*        G  16  -4.213  -5.522   7.178
  229   2H2*    G  16          2H2*        G  16  -4.734  -5.927   5.595
  230   1H5*    G  17          1H5*        G  17 -10.451  -7.077   4.204
  231   2H5*    G  17          2H5*        G  17  -8.699  -7.016   4.025
  232    H4*    G  17           H4*        G  17 -10.488  -4.973   2.730
  233    H3*    G  17           H3*        G  17 -10.749  -7.595   1.998
  234    H1*    G  17           H1*        G  17  -8.156  -5.431   0.197
  235    H8     G  17           H8         G  17  -6.827  -6.211   3.506
  236    H1     G  17           H1         G  17  -2.432  -5.650  -1.201
  237   1H2     G  17          1H2         G  17  -3.547  -5.662  -3.129
  238   2H2     G  17          2H2         G  17  -5.310  -5.732  -3.062
  239   1H2*    G  17          1H2*        G  17  -8.408  -7.879   1.974
  240   2H2*    G  17          2H2*        G  17  -8.738  -7.707   0.218
  241   1H5*    T  18          1H5*        T  18  -9.212  -6.214  -2.079
  242   2H5*    T  18          2H5*        T  18 -10.222  -6.895  -3.373
  243    H4*    T  18           H4*        T  18  -8.016  -7.738  -3.889
  244    H3*    T  18           H3*        T  18  -9.866  -9.684  -2.954
  245   1H2*    T  18          1H2*        T  18  -8.560  -9.994  -1.091
  246   2H2*    T  18          2H2*        T  18  -7.919 -11.181  -2.253
  247    H1*    T  18           H1*        T  18  -6.217  -9.439  -3.022
  248    H3     T  18           H3         T  18  -2.602  -8.807  -0.411
  249   1H5M    T  18          1H7         T  18  -6.670  -8.755   2.895
  250   2H5M    T  18          2H7         T  18  -5.151  -9.459   3.502
  251   3H5M    T  18          3H7         T  18  -6.410 -10.515   2.801
  252    H6     T  18           H6         T  18  -7.250  -9.618   0.497
  253   1H5*    G  19          1H5*        G  19  -8.066 -13.718  -5.709
  254   2H5*    G  19          2H5*        G  19  -7.769 -12.668  -4.309
  255    H4*    G  19           H4*        G  19  -5.986 -12.426  -6.715
  256    H3*    G  19           H3*        G  19  -6.182 -14.912  -5.385
  257    H1*    G  19           H1*        G  19  -3.452 -12.397  -5.052
  258    H8     G  19           H8         G  19  -5.746 -12.258  -2.039
  259    H1     G  19           H1         G  19   0.494 -11.165  -0.826
  260   1H2     G  19          1H2         G  19   1.586 -11.168  -2.767
  261   2H2     G  19          2H2         G  19   0.650 -11.286  -4.254
  262   1H2*    G  19          1H2*        G  19  -5.406 -14.100  -3.443
  263   2H2*    G  19          2H2*        G  19  -3.929 -14.667  -4.146
  264   1H5*    G  20          1H5*        G  20  -2.170 -13.561  -7.316
  265   2H5*    G  20          2H5*        G  20  -2.216 -14.526  -8.797
  266    H4*    G  20           H4*        G  20  -0.040 -13.905  -8.624
  267    H3*    G  20           H3*        G  20  -0.481 -16.664  -8.412
  268    H1*    G  20           H1*        G  20   1.939 -14.939  -5.809
  269    H8     G  20           H8         G  20  -1.779 -15.094  -4.964
  270    H1     G  20           H1         G  20   2.179 -14.357   0.080
  271   1H2     G  20          1H2         G  20   4.223 -14.071  -0.699
  272   2H2     G  20          2H2         G  20   4.523 -14.063  -2.444
  273    H3T    G  20           H3T        G  20   1.712 -16.852  -8.943
  274   1H2*    G  20          1H2*        G  20  -0.335 -16.846  -6.115
  275   2H2*    G  20          2H2*        G  20   1.395 -17.063  -6.489