1    54  Arachidonic Acid
2     1  C       3
3     2  C       1     1   1.51780
4     3  C       1     2   1.53650     1  112.9500
5     4  C       1     3   1.53620     2  111.9290     1  180.0000     0
6     5  C       2     4   1.50880     3  111.1850     2  180.0000     0
7     6  C       2     5   1.34300     4  125.9380     3   90.0000     0
8     7  C       1     6   1.50780     5  125.8660     4    0.0000     0
9     8  C       2     7   1.50730     6  110.8530     5   89.9999     0
10     9  C       2     8   1.34320     7  126.0120     6   90.0000     0
11    10  C       1     9   1.50800     8  126.1640     7    0.0000     0
12    11  C       2    10   1.50780     9  110.6190     8   90.0000     0
13    12  C       2    11   1.34320    10  126.6370     9   90.0000     0
14    13  C       1    12   1.50770    11  126.5860    10    0.0000     0
15    14  C       2    13   1.50770    12  110.6430    11   90.0000     0
16    15  C       2    14   1.34310    13  125.8790    12   90.0000     0
17    16  C       1    15   1.50850    14  125.9420    13    0.0000     0
18    17  C       1    16   1.53580    15  111.1110    14   90.0000     0
19    18  C       1    17   1.53690    16  111.8830    15  180.0000     0
20    19  C       1    18   1.53670    17  111.9730    16  180.0000     0
21    20  C       1    19   1.53430    18  111.7680    17 -180.0000     0
22    21  O       6     1   1.34770     2  111.2600     3  180.0000     0
23    22  O       7     1   1.20840     2  126.5890    21  122.1510     1
24    23  H       5     2   1.11530     1  108.9450     3  108.9450    -1
25    24  H       5     2   1.11530     1  108.9450     3  108.9450     1
26    25  H       5     3   1.11600     2  109.3320     4  109.3320    -1
27    26  H       5     3   1.11600     2  109.3320     4  109.3320     1
28    27  H       5     4   1.11440     3  109.7450     5  109.7450    -1
29    28  H       5     4   1.11440     3  109.7450     5  109.7450     1
30    29  H       5     5   1.10390     4  115.9510     6  118.1110    -1
31    30  H       5     6   1.10420     5  117.9890     7  116.1450    -1
32    31  H       5     7   1.11300     6  109.8190     8  109.8190    -1
33    32  H       5     7   1.11300     6  109.8190     8  109.8189     1
34    33  H       5     8   1.10410     7  116.1001     9  117.8880     1
35    34  H       5     9   1.10420     8  117.8390    10  115.9970    -1
36    35  H       5    10   1.11270     9  109.9780    11  109.9780     1
37    36  H       5    10   1.11270     9  109.9780    11  109.9780    -1
38    37  H       5    11   1.10430    10  115.6800    12  117.6830    -1
39    38  H       5    12   1.10430    11  117.7230    13  115.6910     1
40    39  H       5    13   1.11290    12  109.9640    14  109.9640     1
41    40  H       5    13   1.11290    12  109.9640    14  109.9640    -1
42    41  H       5    14   1.10410    13  116.1780    15  117.9430    -1
43    42  H       5    15   1.10400    14  118.1580    16  115.9000     1
44    43  H       5    16   1.11420    15  109.8270    17  109.8270     1
45    44  H       5    16   1.11420    15  109.8270    17  109.8270    -1
46    45  H       5    17   1.11570    16  109.3770    18  109.3770     1
47    46  H       5    17   1.11570    16  109.3770    18  109.3770    -1
48    47  H       5    18   1.11570    17  109.3530    19  109.3530     1
49    48  H       5    18   1.11570    17  109.3530    19  109.3530    -1
50    49  H       5    19   1.11620    18  109.4120    20  109.4120     1
51    50  H       5    19   1.11620    18  109.4119    20  109.4120    -1
52    51  H       5    20   1.11470    19  111.0260    18  180.0000     0
53    52  H       5    20   1.11440    19  111.1330    51  108.0000     1
54    53  H       5    20   1.11440    19  111.1330    51  108.0000    -1
55    54  H      24    21   0.97170     1  107.3280     2  180.0000     0
56