HMDB0000991 RDKit 3D DL-2-Aminooctanoic acid 28 27 0 0 0 0 0 0 0 0999 V2000 -3.9355 -0.7338 -0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4878 0.6997 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 0.8051 0.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0919 0.0541 -0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2781 0.1993 0.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3272 -0.5503 -0.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6497 -0.3491 0.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9469 1.0126 0.3181 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7404 -1.1220 -0.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7084 -2.3634 -0.5548 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8704 -0.4459 -0.8095 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6657 -1.3156 0.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5076 -1.2263 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0533 -0.7211 -0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5385 1.1331 -1.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1614 1.3046 0.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7441 1.8561 0.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0505 0.3561 1.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3546 -1.0011 -0.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0055 0.5130 -1.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3198 -0.2470 1.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5569 1.2641 0.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3238 -0.1788 -1.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1048 -1.6370 -0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5196 -0.7583 1.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0352 1.4605 1.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2212 1.5128 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0857 0.4784 -0.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 9 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 11 28 1 0 M END