    0    0    2

This is a remark line
molecule.res
YLY    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  N4    nb    M    3   2   1     1.540   111.208   180.000  -0.81861
   5  C5    ca    B    4   3   2     1.327    63.688    -0.819   0.81813
   6  C3    ca    S    5   4   3     1.401   118.462   -64.447  -0.01698
   7  N2    nd    S    6   5   4     1.383   133.177  -178.975  -0.63987
   8  C2    cc    S    7   6   5     1.286   104.073   178.591   0.23291
   9  H4    h5    E    8   7   6     1.067   125.165  -178.933   0.15348
  10  N5    nh    B    5   4   3     1.343   118.990   114.550  -0.99499
  11  H1    hn    E   10   5   4     0.994   119.583   168.330   0.43802
  12  H2    hn    E   10   5   4     0.994   118.059    10.452   0.43802
  13  C4    ca    M    4   3   2     1.326    82.417  -128.204   0.65000
  14  H3    h5    E   13   4   3     1.074   115.308  -125.471   0.05154
  15  N3    nb    M   13   4   3     1.314   128.592    54.745  -0.78402
  16  C1    ca    M   15  13   4     1.331   111.756     0.103   0.40045
  17  N1    na    M   16  15  13     1.366   128.287   179.832  -0.04790
  18  C6    c3    M   17  16  15     1.466   127.453     7.378   0.03991
  19  C9    c3    3   18  17  16     1.539   111.603    57.564   0.19425
  20  C8    c3    B   19  18  17     1.521    99.356    82.814   0.35078
  21  O4    oh    S   20  19  18     1.381   115.486   165.653  -0.70134
  22  H10   ho    E   21  20  19     0.952   107.467   150.882   0.45717
  23  H7    h1    E   20  19  18     1.080   106.319   -71.750  -0.05417
  24  O5    oh    S   19  18  17     1.395   109.542  -162.458  -0.62828
  25  H9    ho    E   24  19  18     0.947   109.839    90.192   0.42620
  26  H6    h1    E   19  18  17     1.080   112.843   -37.203   0.08529
  27  H5    h2    E   18  17  16     1.079   109.093   -67.341   0.14692
  28  O1    os    M   18  17  16     1.392   107.911   173.368  -0.42694
  29  C7    c3    M   28  18  17     1.422   110.987  -108.054   0.18271
  30  H8    h1    E   29  28  18     1.084   108.971   -99.236   0.09139
  31  C10   c3    M   29  28  18     1.511   111.049   143.523   0.02474
  32  H11   h1    E   31  29  28     1.078   109.518   173.942   0.09522
  33  H12   h1    E   31  29  28     1.078   110.202    54.032   0.09522
  34  O2    os    M   31  29  28     1.437   112.919   -63.304  -0.50938
  35  P1    p5    M   34  31  29     1.570   124.549   -97.426   1.38527
  36  O6    oh    S   35  34  31     1.564   103.371   158.274  -0.71030
  37  H13   ho    E   36  35  34     0.956   118.129   -47.977   0.48885
  38  O7    o     E   35  34  31     1.451   114.132    27.368  -0.69275
  39  O3    os    M   35  34  31     1.609   107.527  -100.438  -0.46340
  40  C11   c     M   39  35  34     1.351   123.900    70.305   0.76077
  41  O8    o     E   40  39  35     1.182   121.857   -14.170  -0.52990
  42  C12   c3    M   40  39  35     1.518   111.864   170.233   0.16705
  43  N6    n3    B   42  40  39     1.450   110.010   -38.759  -1.03107
  44  H14   hn    E   43  42  40     1.001   110.120  -179.391   0.40492
  45  H15   hn    E   43  42  40     1.000   111.692    60.659   0.40492
  46  H16   h1    E   42  40  39     1.094   103.706    82.102   0.02646
  47  C13   c3    M   42  40  39     1.532   111.014  -162.440  -0.16968
  48  H17   hc    E   47  42  40     1.084   108.127   -55.460   0.04435
  49  H18   hc    E   47  42  40     1.089   107.475  -170.049   0.04435
  50  C14   c3    M   47  42  40     1.531   114.683    67.661   0.32166
  51  H19   hc    E   50  47  42     1.085   109.788    62.990  -0.03296
  52  H20   hc    E   50  47  42     1.083   109.589   -53.595  -0.03296
  53  C15   c3    M   50  47  42     1.529   112.050  -174.941  -0.27294
  54  H21   hc    E   53  50  47     1.088   109.953   -58.780   0.05113
  55  H22   hc    E   53  50  47     1.089   109.751    57.584   0.05113
  56  C16   c3    M   53  50  47     1.528   113.564  -179.645   0.19410
  57  H23   h1    E   56  53  50     1.088   109.658   174.334   0.05192
  58  H24   h1    E   56  53  50     1.080   110.827    56.030   0.05192
  59  N7    n     M   56  53  50     1.450   111.913   -63.290  -0.67227
  60  H25   hn    E   59  56  53     0.995   117.630   -50.867   0.34054
  61  C17   c     M   59  56  53     1.350   123.253   141.450   0.68612
  62  O9    o     E   61  59  56     1.202   123.303    -4.020  -0.57310
  63  C18   c3    M   61  59  56     1.530   115.504   177.028   0.17809
  64  H26   h1    E   63  61  59     1.084   109.723     1.009   0.02016
  65  N8    n2    M   63  61  59     1.463   107.446  -117.470  -0.63617
  66  C19   c2    M   65  63  61     1.254   108.535  -103.375   0.30438
  67  H31   ha    E   66  65  63     1.079   120.272   177.536   0.06481
  68  C20   c3    M   66  65  63     1.507   116.638    -2.129  -0.19813
  69  H32   hc    E   68  66  65     1.085   109.907   103.930   0.07899
  70  H33   hc    E   68  66  65     1.086   112.755  -135.468   0.07899
  71  C21   c3    M   68  66  65     1.538   100.501   -14.524   0.17641
  72  H27   hc    E   71  68  66     1.087   107.258   -87.533   0.03731
  73  C22   c3    M   71  68  66     1.527   115.840   151.633  -0.62197
  74  H28   hc    E   73  71  68     1.086   111.449  -179.597   0.15773
  75  H29   hc    E   73  71  68     1.085   110.034    61.832   0.15773
  76  H30   hc    E   73  71  68     1.083   111.514   -58.165   0.15773


LOOP
   C1   C3
   N1   C2
   C7   C8
  C21  C18

IMPROPER
   C3   N4   C5   N5
   C1   C5   C3   N2
   H4   N1   C2   N2
   C5   H1   N5   H2
   H3   N3   C4   N4
   C3   N1   C1   N3
   C6   C1   N1   C2
  C12   O8  C11   O3
  C18   N7  C17   O9
  C20  H31  C19   N8

DONE
STOP
