HMDB0001140 RDKit 3D Octanal 25 24 0 0 0 0 0 0 0 0999 V2000 -3.6951 -0.8019 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7616 0.3043 0.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3394 -0.2272 0.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3989 0.8807 0.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 0.4058 0.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5687 -0.1177 -0.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -0.5710 -0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9351 0.5017 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5457 1.6469 0.0331 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8111 -0.8420 -1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7236 -0.6619 0.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3268 -1.8082 -0.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0564 0.6467 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 1.1213 -0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0803 -0.5714 -0.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3394 -1.0577 0.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5172 1.7746 -0.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6962 1.1727 1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0183 -0.4362 1.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6558 1.1766 1.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9071 -0.9756 -0.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 0.6403 -1.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3508 -1.1022 -1.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0813 -1.3764 0.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9985 0.2778 0.1685 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 8 9 2 0 1 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 2 14 1 0 3 15 1 0 3 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 M END