    0    0    2

This is a remark line
molecule.res
AET    INT  0
CORRECT     OMIT DU   BEG
  0.0000
   1  DUMM  DU    M    0  -1  -2     0.000      .0        .0      .00000
   2  DUMM  DU    M    1   0  -1     1.449      .0        .0      .00000
   3  DUMM  DU    M    2   1   0     1.522   111.1        .0      .00000
   4  O3    oh    M    3   2   1     1.540   111.208   180.000  -0.72478
   5  H11   ho    E    4   3   2     0.948   115.437   147.164   0.42502
   6  P1    p5    M    4   3   2     1.627   136.048   -41.768   1.32532
   7  O6    o     E    6   4   3     1.467   108.943  -151.185  -0.81077
   8  O7    o     E    6   4   3     1.481   107.045   -14.213  -0.81077
   9  O2    os    M    6   4   3     1.644   101.053    97.651  -0.48480
  10  C10   c3    M    9   6   4     1.397   119.923   -77.456   0.00911
  11  H9    h1    E   10   9   6     1.082   111.430    16.323   0.07532
  12  H10   h1    E   10   9   6     1.085   108.192   135.254   0.07532
  13  C7    c3    M   10   9   6     1.515   111.890  -105.100   0.17954
  14  C8    c3    3   13  10   9     1.527   116.271    48.113   0.29549
  15  C9    c3    B   14  13  10     1.519   101.144  -158.278   0.23050
  16  O5    oh    S   15  14  13     1.401   110.095   -77.001  -0.63770
  17  H7    ho    E   16  15  14     0.947   109.031  -173.557   0.40202
  18  H4    h1    E   15  14  13     1.084   112.927   158.270   0.03608
  19  O4    oh    S   14  13  10     1.378   114.799    77.048  -0.71656
  20  H8    ho    E   19  14  13     0.962   105.071   -83.614   0.48874
  21  H5    h1    E   14  13  10     1.084   107.942   -46.571   0.00101
  22  H6    h1    E   13  10   9     1.086   108.997   172.252   0.05666
  23  O1    os    M   13  10   9     1.428   109.631   -68.752  -0.44507
  24  C6    c3    M   23  13  10     1.384   111.198   146.831   0.18185
  25  H3    h2    E   24  23  13     1.080   110.646   123.782   0.10035
  26  N1    na    M   24  23  13     1.461   108.977  -120.191  -0.26698
  27  C2    cc    B   26  24  23     1.375   128.900    29.099   0.40911
  28  N2    nd    E   27  26  24     1.286   113.789  -177.408  -0.64008
  29  H2    h5    E   27  26  24     1.072   121.209     2.604   0.12615
  30  C1    ca    M   26  24  23     1.360   125.150  -147.476   0.58737
  31  N3    nb    S   30  26  24     1.320   128.338    -2.973  -0.79601
  32  C4    ca    B   31  30  26     1.316   112.285   179.541   0.63651
  33  N4    nb    E   32  31  30     1.321   127.953    -0.109  -0.75847
  34  H1    h5    E   32  31  30     1.075   116.312  -179.448   0.03824
  35  C3    ca    M   30  26  24     1.392   105.669   177.546  -0.02938
  36  C5    ca    M   35  30  26     1.386   115.570  -179.938   0.53185
  37  N5    n     M   36  35  30     1.406   122.579   178.878  -0.19937
  38  C11   c3    3   37  36  35     1.460   119.030   -44.812  -0.12070
  39  H12   h1    E   38  37  36     1.079   110.150   141.353   0.07178
  40  H13   h1    E   38  37  36     1.088   111.337   -97.070   0.07178
  41  H14   h1    E   38  37  36     1.076   109.181    23.204   0.07178
  42  C12   c     M   37  36  35     1.377   119.144   135.499   0.63153
  43  O8    o     E   42  37  36     1.196   124.317   -18.871  -0.54752
  44  N6    n     M   42  37  36     1.382   114.304   164.043  -0.47354
  45  H15   hn    E   44  42  37     0.995   116.048   -31.396   0.30187
  46  C13   c3    M   44  42  37     1.438   117.633  -174.647  -0.03282
  47  H17   h1    E   46  44  42     1.079   108.350   -43.516   0.13035
  48  C15   c3    3   46  44  42     1.548   111.774  -162.077   0.38882
  49  C16   c3    3   48  46  44     1.521   112.271    52.029  -0.38695
  50  H20   hc    E   49  48  46     1.084   108.642   173.762   0.11012
  51  H21   hc    E   49  48  46     1.082   112.029   -65.857   0.11012
  52  H22   hc    E   49  48  46     1.085   110.208    55.250   0.11012
  53  O11   oh    S   48  46  44     1.398   110.593   171.092  -0.70130
  54  H18   ho    E   53  48  46     0.951   110.132    43.521   0.42280
  55  H19   h1    E   48  46  44     1.092   108.494   -68.367  -0.00979
  56  C14   c     M   46  44  42     1.525   113.324    73.847   0.75445
  57  O10   oh    S   56  46  44     1.319   114.502     8.597  -0.65033
  58  H16   ho    E   57  56  46     0.953   108.399  -177.701   0.47278
  59  O9    o     M   56  46  44     1.195   123.219  -174.282  -0.61619


LOOP
   C6   C9
   C3   N2
   C5   N4

IMPROPER
   C6   C1   N1   C2
   H2   N1   C2   N2
   C3   N1   C1   N3
   H1   N3   C4   N4
   C1   C5   C3   N2
   C3   N5   C5   N4
  C11  C12   N5   C5
   N5   N6  C12   O8
  C13   O9  C14  O10

DONE
STOP
