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