HMDB0001858 RDKit 3D p-Cresol 16 16 0 0 0 0 0 0 0 0999 V2000 2.4917 0.0122 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 -0.0026 -0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2799 -1.1791 -0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1004 -1.1644 -0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8225 0.0083 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2196 0.0251 0.0037 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0871 1.1759 0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2912 1.1789 0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8257 -0.8254 -0.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7842 1.0063 -0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8746 -0.1906 0.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8275 -2.1089 -0.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6608 -2.0960 -0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6584 -0.0457 0.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6601 2.0913 0.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8383 2.1146 0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 2 1 0 1 9 1 0 1 10 1 0 1 11 1 0 3 12 1 0 4 13 1 0 6 14 1 0 7 15 1 0 8 16 1 0 M END