HMDB0029603 RDKit 3D Pentane 17 16 0 0 0 0 0 0 0 0999 V2000 2.2996 0.4840 0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8783 0.4077 -0.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1566 -0.6421 0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2672 -0.8450 -0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1108 0.3901 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9634 -0.2419 -0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 1.5355 -0.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 0.2747 1.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0019 0.0811 -1.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 1.3858 -0.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6905 -1.6016 0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2098 -0.4304 1.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7055 -1.6062 0.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3567 -1.2435 -1.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9423 1.1172 -0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1745 0.0718 -0.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0318 0.8626 1.0388 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 1 6 1 0 1 7 1 0 1 8 1 0 2 9 1 0 2 10 1 0 3 11 1 0 3 12 1 0 4 13 1 0 4 14 1 0 5 15 1 0 5 16 1 0 5 17 1 0 M END