HMDB0038603 RDKit 3D Octyl formate 29 28 0 0 0 0 0 0 0 0999 V2000 -4.6476 0.3366 -0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2971 0.2691 -0.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2794 -0.1336 0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8863 -0.2339 -0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0328 -0.6411 0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4679 -0.7744 0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 0.5243 -0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4114 0.3438 -0.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3012 -0.0476 0.2517 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5251 0.7317 1.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9191 1.8164 1.4801 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9249 -0.6791 0.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4063 0.7477 -0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5902 1.0040 0.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3433 -0.4051 -1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0523 1.3236 -1.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2534 0.6564 0.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5761 -1.1166 0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 0.7956 -0.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8063 -0.9007 -1.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3219 -1.6241 1.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0494 0.0721 1.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6117 -1.5574 -0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0769 -1.0183 1.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4036 0.8539 -1.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9157 1.3109 0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4216 -0.3969 -1.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7180 1.3089 -1.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2264 0.4394 2.1581 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 1 0 9 10 1 0 10 11 2 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 7 26 1 0 8 27 1 0 8 28 1 0 10 29 1 0 M END