1    54  Arachidonic Acid
2     1  C      0.000000    0.000000    0.000000     3     2    21    22
3     2  C      0.000000    0.000000    1.517800     1     1     3    23    24
4     3  C      1.414879    0.000000    2.116924     1     2     4    25    26
5     4  C      1.387506    0.000000    3.652880     1     3     5    27    28
6     5  C      2.784400    0.000000    4.223112     2     4     6    29
7     6  C      3.514158    1.087363    4.521010     2     5     7    30
8     7  C      3.078241    2.519764    4.343063     1     6     8    31    32
9     8  C      2.390767    3.029489    5.583834     2     7     9    33
10     9  C      2.986189    3.635838    6.624027     2     8    10    34
11    10  C      4.459393    3.928040    6.759500     1     9    11    35    36
12    11  C      4.786705    5.283755    6.186468     2    10    12    37
13    12  C      4.782880    6.454469    6.844951     2    11    13    38
14    13  C      4.450250    6.665876    8.300226     1    12    14    39    40
15    14  C      5.690424    6.555193    9.150448     2    13    15    41
16    15  C      6.512266    7.565399    9.479048     2    14    16    42
17    16  C      6.354767    9.006467    9.061810     1    15    17    43    44
18    17  C      5.515259    9.789200   10.082220     1    16    18    45    46
19    18  C      5.343511   11.260941    9.674125     1    17    19    47    48
20    19  C      4.503751   12.046129   10.693797     1    18    20    49    50
21    20  C      4.335282   13.514467   10.281879     1    19    51    52    53
22    21  O     -1.255982    0.000000   -0.488677     6     1    54
23    22  O      0.970263    0.000000   -0.720292     7     1
24    23  H     -0.546546    0.902258    1.879894     5     2
25    24  H     -0.546546   -0.902258    1.879894     5     2
26    25  H      1.968365   -0.899873    1.757287     5     3
27    26  H      1.968365    0.899873    1.757287     5     3
28    27  H      0.831200    0.893305    4.019508     5     4
29    28  H      0.831200   -0.893305    4.019508     5     4
30    29  H      3.231640   -0.992592    4.405683     5     5
31    30  H      4.526637    0.934662    4.934319     5     6
32    31  H      3.961064    3.156954    4.112019     5     7
33    32  H      2.391106    2.599558    3.471141     5     7
34    33  H      1.297156    2.884133    5.627690     5     8
35    34  H      2.349617    3.956435    7.467384     5     9
36    35  H      5.052098    3.142568    6.240044     5    10
37    36  H      4.758459    3.885679    7.830418     5    10
38    37  H      5.054783    5.298499    5.115302     5    11
39    38  H      5.047936    7.363947    6.277436     5    12
40    39  H      3.695398    5.917576    8.630061     5    13
41    40  H      3.980665    7.664924    8.441428     5    13
42    41  H      5.932330    5.547035    9.530100     5    14
43    42  H      7.388376    7.339527   10.111685     5    15
44    43  H      5.874585    9.058879    8.057758     5    16
45    44  H      7.357347    9.480496    8.954239     5    16
46    45  H      6.006004    9.737373   11.082854     5    17
47    46  H      4.511262    9.312350   10.179131     5    17
48    47  H      4.852953   11.312297    8.673374     5    18
49    48  H      6.347718   11.737327    9.577112     5    18
50    49  H      4.993873   11.995692   11.695365     5    19
51    50  H      3.498666   11.570536   10.791359     5    19
52    51  H      3.724740   14.072053   11.029470     5    20
53    52  H      3.829442   13.598697    9.292475     5    20
54    53  H      5.322926   14.023363   10.195438     5    20
55    54  H     -1.189350    0.000000   -1.458090    24    21
56