HMDB0061826 RDKit 3D 1-Methyl-2-n-hexylbenzene 33 33 0 0 0 0 0 0 0 0999 V2000 4.3965 0.9137 1.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2550 0.7798 0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9526 -0.6623 0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8281 -0.8278 -0.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5218 -0.2202 -0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5011 -0.4775 -1.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8385 0.0552 -0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2777 1.2301 -1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5212 1.7644 -1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3993 1.1572 -0.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9795 -0.0006 0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7167 -0.5406 -0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3168 -1.7977 0.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2078 1.5102 1.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7774 -0.0941 1.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0298 1.4293 2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5527 1.3320 -0.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3715 1.3165 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8666 -1.0743 -0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8276 -1.2720 1.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1643 -0.3093 -1.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6857 -1.8867 -0.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2808 -0.7092 0.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7053 0.8788 -0.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5152 -1.5479 -1.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0669 -0.0111 -2.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5747 1.6974 -2.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8525 2.6777 -1.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3814 1.5672 -0.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6524 -0.4910 0.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7791 -2.4243 -0.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2650 -2.3455 0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7853 -1.6174 1.5443 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 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 7 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 8 27 1 0 9 28 1 0 10 29 1 0 11 30 1 0 13 31 1 0 13 32 1 0 13 33 1 0 M END