HMDB0302269 RDKit 3D Pentenylbenzene 25 25 0 0 0 0 0 0 0 0999 V2000 4.2964 -0.0613 0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7934 -0.2525 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0846 1.0488 -0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6335 1.0053 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0495 -0.1191 0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4849 -0.2173 0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3212 0.8754 -0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7038 0.7664 -0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2492 -0.4970 0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4574 -1.6236 0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0882 -1.4569 0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 0.9634 0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7881 -0.8350 0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6758 -0.1039 -0.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5451 -0.9830 -0.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5605 -0.7127 1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4116 1.5520 -0.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4254 1.7315 0.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0998 1.9443 -0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -1.0143 0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9261 1.8774 -0.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3245 1.6654 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3464 -0.5567 0.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9277 -2.6068 0.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5067 -2.3898 0.1647 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 6 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 5 20 1 0 7 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 M END