1    49  Palmitate
2     1  C      0.000000    0.000000    0.000000     3     2    17    18
3     2  C      0.000000    0.000000    1.534670     1     1     3    19    20
4     3  C      1.407774    0.000000    2.154707     1     2     4    21    22
5     4  C      1.367646    0.000000    3.691883     1     3     5    23    24
6     5  C      2.774184    0.000000    4.313261     1     4     6    25    26
7     6  C      2.778411    0.000000    5.852245     1     5     7    27    28
8     7  C      4.186749    0.000000    6.469982     1     6     8    29    30
9     8  C      4.191136    0.000000    8.009135     1     7     9    31    32
10     9  C      5.581126    0.000000    8.670522     1     8    10    33    34
11    10  C      5.580167    0.000000   10.209642     1     9    11    35    36
12    11  C      6.970819    0.000000   10.868821     1    10    12    37    38
13    12  C      6.972624    0.000000   12.408320     1    11    13    39    40
14    13  C      8.360285    0.000000   13.075783     1    12    14    41    42
15    14  C      8.386759    0.000000   14.618556     1    13    15    43    44
16    15  C      9.781493    0.000000   15.269595     1    14    16    45    46
17    16  C      9.789122    0.000000   16.803246     1    15    47    48    49
18    17  O     -1.119808    0.000000   -0.570526    47     1
19    18  O      1.107098    0.000000   -0.594245    47     1
20    19  H     -0.559695    0.894133    1.893431     5     2
21    20  H     -0.559562   -0.894160    1.893571     5     2
22    21  H      1.969702   -0.896141    1.802992     5     3
23    22  H      1.970009    0.896313    1.803827     5     3
24    23  H      0.802370    0.894025    4.039506     5     4
25    24  H      0.806890   -0.895227    4.046705     5     4
26    25  H      3.345885    0.881826    3.942549     5     5
27    26  H      3.323631   -0.901840    3.956340     5     5
28    27  H      2.208025    0.882296    6.223534     5     6
29    28  H      2.226160   -0.901441    6.202445     5     6
30    29  H      4.760866   -0.875762    6.091622     5     7
31    30  H      4.737898    0.902878    6.121915     5     7
32    31  H      3.616507    0.883197    8.370835     5     8
33    32  H      3.625860   -0.891761    8.366789     5     8
34    33  H      6.150377   -0.885910    8.307263     5     9
35    34  H      6.155566    0.884254    8.311544     5     9
36    35  H      5.009964   -0.885357   10.572817     5    10
37    36  H      5.007337    0.885087   10.569416     5    10
38    37  H      7.542715    0.886086   10.510051     5    11
39    38  H      7.542392   -0.882964   10.502753     5    11
40    39  H      6.389276    0.876784   12.763954     5    12
41    40  H      6.406732   -0.889765   12.767845     5    12
42    41  H      8.918957    0.893439   12.714516     5    13
43    42  H      8.940657   -0.877176   12.707551     5    13
44    43  H      7.788454   -0.850237   15.014462     5    14
45    44  H      7.858128    0.918696   14.965379     5    14
46    45  H     10.328930    0.906537   14.920348     5    15
47    46  H     10.366007   -0.873267   14.898152     5    15
48    47  H      9.478735   -0.982353   17.220096     5    16
49    48  H     10.809254    0.204770   17.199525     5    16
50    49  H      9.112165    0.779589   17.218999     5    16
51