1    25  Caprylolactam
2     1  C     -0.688240    0.079867    2.806457     3     2     9    10
3     2  C      0.706560   -0.486085    3.010747     1     1     3    11    12
4     3  C      1.815249    0.489229    2.577482     1     2     4    13    14
5     4  C      2.072575    0.639159    1.066686     1     3     5    15    16
6     5  C      0.867238    1.102283    0.227592     1     4     6    17    18
7     6  C      0.280739    0.026780   -0.705681     1     5     7    19    20
8     7  C     -0.048304   -1.329243   -0.063468     1     6     8    21    22
9     8  C     -1.296436   -1.363842    0.828388     1     7     9    23    24
10     9  N     -1.498596   -0.281965    1.757894     9     1     8    25
11    10  O     -1.123664    0.921188    3.554551     7     1
12    11  H      0.806007   -0.645002    4.111142     5     2
13    12  H      0.828380   -1.500189    2.573302     5     2
14    13  H      2.771432    0.155902    3.049906     5     3
15    14  H      1.597657    1.496263    3.007446     5     3
16    15  H      2.505742   -0.300590    0.654079     5     4
17    16  H      2.889350    1.392813    0.950784     5     4
18    17  H      1.185960    1.955951   -0.418993     5     5
19    18  H      0.080781    1.542469    0.879337     5     5
20    19  H     -0.633175    0.424000   -1.208738     5     6
21    20  H      1.030139   -0.153159   -1.514473     5     6
22    21  H     -0.213379   -2.070352   -0.883422     5     7
23    22  H      0.838690   -1.729517    0.472733     5     7
24    23  H     -2.192733   -1.335833    0.165988     5     8
25    24  H     -1.351867   -2.327776    1.386965     5     8
26    25  H     -2.381938    0.224797    1.800719    28     9
27