HMDB0059733 RDKit 3D 1,4,5-Trimethyl-naphtalene 27 28 0 0 0 0 0 0 0 0999 V2000 3.4197 -0.1108 0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9799 -0.5551 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6544 -1.8782 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3378 -2.2428 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7258 -1.3102 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1076 -1.7502 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3823 0.0245 -0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3542 0.9946 -0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7716 0.6685 -0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9186 2.3361 -0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4062 2.7027 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3441 1.7287 0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9848 0.3943 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6735 0.4403 -0.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0878 -0.9772 0.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5929 0.5676 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4275 -2.6182 0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0116 -3.2798 -0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5783 -1.9205 -1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0197 -2.8924 0.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7409 -1.5289 0.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2771 1.7019 -0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1734 0.1621 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2820 0.5609 0.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7007 3.0796 -0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 3.7427 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4081 1.9599 0.0285 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 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 2 1 0 13 7 1 0 1 14 1 0 1 15 1 0 1 16 1 0 3 17 1 0 4 18 1 0 6 19 1 0 6 20 1 0 6 21 1 0 9 22 1 0 9 23 1 0 9 24 1 0 10 25 1 0 11 26 1 0 12 27 1 0 M END