HMDB0059834 RDKit 3D Pentylbenzene 27 27 0 0 0 0 0 0 0 0999 V2000 -3.1561 0.3921 -0.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0761 -0.5214 0.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9797 -0.1832 1.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6204 -0.3114 1.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1675 0.4717 -0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3009 0.1467 -0.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6451 -0.8843 -1.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9676 -1.2242 -1.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9291 -0.4535 -0.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5942 0.5894 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2725 0.8934 0.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2426 0.7103 -0.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5738 1.3291 -0.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9166 -0.0816 -1.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9502 -1.5791 0.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0777 -0.5945 1.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1951 0.8362 1.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1014 -0.8783 2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1216 -0.0778 1.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3843 -1.4060 0.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2444 1.5660 -0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6805 0.1852 -1.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8984 -1.5103 -1.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2441 -2.0406 -2.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9657 -0.7154 -1.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4056 1.1407 0.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0217 1.7266 0.8972 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 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 4 20 1 0 5 21 1 0 5 22 1 0 7 23 1 0 8 24 1 0 9 25 1 0 10 26 1 0 11 27 1 0 M END