    0    0    2

arachidonic acid
ARACHIDONICACID
ACD   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     1.523   111.21       .0      .00000
   4  C20   CT    M    3   2   1     1.540   111.208   180.000 -0.089275
   5  H30   HC    E    4   3   2     1.117    84.760   109.266  0.016405
   6  H29   HC    E    4   3   2     1.117   108.752     1.680  0.016405
   7  H31   HC    E    4   3   2     1.117    25.178   -91.929  0.016405
   8  C19   CT    M    4   3   2     1.506   129.389  -138.203  0.025082
   9  H28   HC    E    8   4   3     1.122   109.420   -44.267 -0.004119
  10  H27   HC    E    8   4   3     1.123   109.100    72.605 -0.004119
  11  C18   CT    M    8   4   3     1.516   113.152  -166.614  0.042591
  12  H25   HC    E   11   8   4     1.123   109.356   -55.081  0.003300
  13  H26   HC    E   11   8   4     1.123   108.117  -171.342  0.003300
  14  C17   CT    M   11   8   4     1.516   113.657    67.743 -0.094888
  15  H24   HC    E   14  11   8     1.123   109.846    21.195  0.036349
  16  H23   HC    E   14  11   8     1.122   109.309   138.476  0.036349
  17  C16   CT    M   14  11   8     1.518   112.877  -100.133 -0.038861
  18  H21   HC    E   17  14  11     1.125   118.852   169.574  0.049073
  19  H22   HC    E   17  14  11     1.124   109.162    52.977  0.049073
  20  C15   CE    M   17  14  11     1.482   112.222   -70.495 -0.265169
  21  H20   HA    E   20  17  14     1.103   114.509   -59.717  0.130690
  22  C14   CE    M   20  17  14     1.337   125.685   120.657 -0.112461
  23  H19   HA    E   22  20  17     1.102   119.602   178.935  0.103696
  24  C13   CT    M   22  20  17     1.483   124.603    -1.052  0.123394
  25  H17   HC    E   24  22  20     1.129   109.201    66.095  0.042885
  26  H18   HC    E   24  22  20     1.129   109.496   -49.838  0.042885
  27  C12   CE    M   24  22  20     1.483   113.745  -172.062 -0.390927
  28  H16   HA    E   27  24  22     1.101   116.437    -4.653  0.169130
  29  C11   CE    M   27  24  22     1.339   123.236   175.413 -0.151551
  30  H15   HA    E   29  27  24     1.102   120.171   179.944  0.147859
  31  C10   CT    M   29  27  24     1.482   123.426    -0.188  0.065034
  32  H13   HC    E   31  29  27     1.129   109.191    56.602  0.046590
  33  H14   HC    E   31  29  27     1.129   109.153   -58.794  0.046590
  34  C9    CE    M   31  29  27     1.482   113.873   178.687 -0.315904
  35  H12   HA    E   34  31  29     1.102   116.327    -7.890  0.136387
  36  C8    CE    M   34  31  29     1.338   123.354   172.578 -0.085005
  37  H11   HA    E   36  34  31     1.103   120.130   179.500  0.112510
  38  C7    CT    M   36  34  31     1.482   123.690   -0.770  -0.028435
  39  H10   HC    E   38  36  34     1.128   109.385    48.978  0.077629
  40  H9    HC    E   38  36  34     1.129   108.818   -66.361  0.077629
  41  C6    CE    M   38  36  34     1.482   113.938   171.362 -0.235123
  42  H8    HA    E   41  38  36     1.100   116.312    -2.394  0.128573
  43  C5    CE    M   41  38  36     1.338   123.225   177.970 -0.202746
  44  H7    HA    E   43  41  38     1.104   120.486   179.454  0.116380
  45  C4    CT    M   43  41  38     1.482   124.011    -0.297 -0.010998
  46  H6    HC    E   45  43  41     1.125   109.069    60.548  0.008264
  47  H5    HC    E   45  43  41     1.126   108.872   -55.533  0.008264
  48  C3    CT    M   45  43  41     1.517   113.069  -177.423  0.089950
  49  H3    HC    E   48  45  43     1.122   108.627   165.876 -0.015841
  50  H4    HC    E   48  45  43     1.123   110.195    48.672 -0.015841
  51  C2    CT    M   48  45  43     1.509   112.816   -72.959 -0.015634
  52  H2    HC    E   51  48  45     1.118   110.471   -68.096 -0.015870
  53  H1    HC    E   51  48  45     1.120   109.995    51.016 -0.015870
  54  C1    C     M   51  48  45     1.539   111.026   170.289  0.762308
  55  O1    O2    E   54  51  48     1.265   118.346   -49.685 -0.811171
  56  O2    O2    M   54  51  48     1.264   117.776   131.188 -0.811171


LOOP

IMPROPER
  C14  C16  C15  H20
  C15  C13  C14  H19
  C11  C13  C12  H16
  C12  C10  C11  H15
   C8  C10   C9  H12
   C9   C7   C8  H11
   C5   C7   C6   H8
   C6   C4   C5   H7
   C2   O1   C1   O2

DONE
STOP
