    0    0    2

This is a remark line
molecule.res
TSB    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  O9    oh    M    3   2   1     1.540   111.208   180.000  -0.72608
   5  H17   ho    E    4   3   2     0.951    73.627    -8.130   0.45123
   6  C13   c3    M    4   3   2     1.399   172.757    86.100   0.39734
   7  H16   h1    E    6   4   3     1.089   109.778   -25.583  -0.06199
   8  C14   c3    3    6   4   3     1.523   107.138    91.171  -0.17283
   9  H18   hc    E    8   6   4     1.085   111.108  -177.527   0.04024
  10  H19   hc    E    8   6   4     1.084   111.577    61.209   0.04024
  11  H20   hc    E    8   6   4     1.085   109.342   -57.630   0.04024
  12  C12   c3    M    6   4   3     1.537   112.918  -144.477   0.11023
  13  N6    n3    B   12   6   4     1.458   112.967   -49.460  -1.07286
  14  H13   hn    E   13  12   6     0.999   110.814   -34.748   0.42360
  15  H14   hn    E   13  12   6     1.003   108.143  -154.337   0.42360
  16  H15   h1    E   12   6   4     1.085   107.345  -173.800   0.03507
  17  C11   c     M   12   6   4     1.529   109.980    68.340   0.87457
  18  O8    o     E   17  12   6     1.195   121.863   -21.216  -0.65415
  19  O3    os    M   17  12   6     1.323   118.849   160.829  -0.52718
  20  P1    p5    M   19  17  12     1.665   131.341   -15.613   1.34861
  21  O6    o     E   20  19  17     1.463   109.928    45.680  -0.78533
  22  O7    o     E   20  19  17     1.470   104.376  -178.667  -0.78533
  23  O2    os    M   20  19  17     1.626    99.049   -66.343  -0.50094
  24  C10   c3    M   23  20  19     1.407   120.061   -75.017  -0.14394
  25  H11   h1    E   24  23  20     1.082   110.959    17.413   0.11342
  26  H12   h1    E   24  23  20     1.083   107.596   135.928   0.11342
  27  C7    c3    M   24  23  20     1.514   112.332  -104.297   0.31929
  28  C8    c3    3   27  24  23     1.527   116.880    48.090   0.23239
  29  C9    c3    B   28  27  24     1.520   100.904  -159.891   0.21492
  30  O5    oh    S   29  28  27     1.399   109.924   -77.522  -0.63680
  31  H9    ho    E   30  29  28     0.947   108.891  -174.210   0.40479
  32  H6    h1    E   29  28  27     1.084   112.916   157.869   0.05905
  33  O4    oh    S   28  27  24     1.378   114.896    76.060  -0.68778
  34  H10   ho    E   33  28  27     0.960   105.871   -83.207   0.47153
  35  H7    h1    E   28  27  24     1.085   108.055   -48.179   0.00918
  36  H8    h1    E   27  24  23     1.086   108.302   171.824   0.04375
  37  O1    os    M   27  24  23     1.425   109.823   -69.252  -0.47130
  38  C6    c3    M   37  27  24     1.388   110.983   149.793   0.10084
  39  H5    h2    E   38  37  27     1.081   110.550   121.163   0.12326
  40  N1    na    M   38  37  27     1.457   108.833  -122.303  -0.08469
  41  C2    cc    B   40  38  37     1.376   128.956    22.636   0.23988
  42  N2    nd    E   41  40  38     1.284   113.616  -177.905  -0.61135
  43  H4    h5    E   41  40  38     1.070   120.821     2.258   0.18048
  44  C1    ca    M   40  38  37     1.360   125.079  -154.986   0.43223
  45  C3    ca    M   44  40  38     1.377   105.434   178.114  -0.02342
  46  C5    ca    M   45  44  40     1.395   116.087  -179.529   0.78106
  47  N5    nh    B   46  45  44     1.352   122.169  -178.258  -0.94676
  48  H1    hn    E   47  46  45     0.995   118.206   -14.427   0.40971
  49  H2    hn    E   47  46  45     0.994   117.373  -165.788   0.40971
  50  N4    nb    M   46  45  44     1.328   119.002     0.570  -0.83375
  51  C4    ca    M   50  46  45     1.328   118.249    -0.774   0.64671
  52  H3    h5    E   51  50  46     1.076   115.118  -179.682   0.03503
  53  N3    nb    M   51  50  46     1.313   128.732     0.345  -0.79912


LOOP
   C6   C9
   C3   N2
   N3   C1

IMPROPER
  C12   O8  C11   O3
   C6   C1   N1   C2
   H4   N1   C2   N2
   C3   N1   C1   N3
   C1   C5   C3   N2
   C3   N4   C5   N5
   C5   H1   N5   H2
   H3   N4   C4   N3

DONE
STOP
