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  1. A.HYBL / PROPOSED MODEL FOR V-AMYLOSE    P6 SUB 5
  2.      13.0     13.0      8.0      90.      90.     120.
  3.              .0  1  0  0             .0  0  1  0             .0  0  0  1
  4.              .0  0  1  0             .0 -1  1  0    .1666666667  0  0  1
  5.              .0 -1  1  0             .0 -1  0  0    .3333333333  0  0  1
  6.              .0 -1  0  0             .0  0 -1  0    .5000000000  0  0  1
  7.              .0  0 -1  0             .0  1 -1  0    .6666666667  0  0  1
  8. 1            .0  1 -1  0             .0  1  0  0    .8333333333  0  0  1
  9.                               -3.959   -3.300    0.890        2
  10.       .15                                                     7
  11.                               -3.246   -4.340    1.756        2
  12.       .15                                                     7
  13.                               -1.720   -4.218    1.583        2
  14.       .15                                                     7
  15.                               -1.376   -4.386    0.108        2
  16.       .15                                                     7
  17.                               -2.166   -3.360   -0.736        2
  18.       .15                                                     7
  19.                               -1.970   -3.597   -2.208        2
  20.       .15                                                     7
  21.   O2                          -3.635   -4.141    3.131        2
  22.       .25                                                     7
  23.   O3                          -1.059   -5.251    2.324        2
  24.       .25                                                     7
  25.   O4                          -0.003   -4.083   -0.000        2
  26.       .25                                                     7
  27.   O5                          -3.576   -3.518   -0.466        2
  28.       .25                                                     7
  29.   O6                          -2.661   -2.629   -2.992        2
  30.       .25                                                     7
  31. ORIGIN                         .0000    .0000   1.0000
  32. 1
  33.       201
  34.       301      6.4      6.8      15.      1.2
  35.       401   155501 -1155606   155701 -1155701
  36.       501  1255501   155501   165501   155501   156501
  37.       604                                 1.2
  38.       601               3.5
  39.       503        2      2.5
  40.      1101
  41.   2  1001
  42.   2        1 11  1 11  1   1.0   1.8   .05
  43.   2        7  7 11 11  1   2.5   2.7   .02
  44.            7  7  8  8  1   2.8   2.9   .02
  45.       714                                              
  46.   2   812
  47.   2        1 11  1 11  1   1.0   1.8   .05
  48.   2        7  7 11 11  1   2.5   2.7   .02
  49.            7  7  8  8  1   2.8   2.9   .02
  50.   3   902  1255501              3.15      0.8      .08
  51. PROPOSED MODEL FOR V-AMYLOSE
  52.      1102
  53.       202      2.4
  54.       503        2     -2.5
  55.      1103
  56.       202
  57.        -1
  58.  
  59.