HMDB0061810 RDKit 3D 2,4-Dimethyl-1-(1-methylethyl)-benzene 27 27 0 0 0 0 0 0 0 0999 V2000 3.8732 -0.2447 -0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3879 -0.0553 -0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7435 0.3950 -1.2847 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3803 0.5572 -1.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3756 0.2858 -0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8175 0.4755 -0.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2405 0.9266 -1.5512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6215 -0.7587 0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -0.1696 0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 -0.4728 2.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6368 -0.3287 0.9717 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3766 0.6645 0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1765 -0.5845 -1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1054 -1.0942 0.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 0.6160 -2.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0697 0.9190 -2.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0692 1.2975 0.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8084 1.9138 -1.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3685 0.9914 -1.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9662 0.1886 -2.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4245 -0.5061 0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1847 -1.1499 -0.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0214 -1.6003 0.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4793 0.0167 2.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5276 -1.5639 2.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0764 -0.0295 3.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1315 -0.6893 1.8868 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 6 7 1 0 6 8 1 0 5 9 1 0 9 10 1 0 9 11 2 0 11 2 1 0 1 12 1 0 1 13 1 0 1 14 1 0 3 15 1 0 4 16 1 0 6 17 1 0 7 18 1 0 7 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 8 23 1 0 10 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 M END