HMDB0061915 RDKit 3D 2-Methylheptane 26 25 0 0 0 0 0 0 0 0999 V2000 3.6470 0.9215 0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2103 0.5533 0.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7366 -0.5945 -0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3285 -0.9802 -0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6796 0.0974 -0.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0626 -0.3936 -0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0091 0.7916 -0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2465 -0.8338 1.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8031 1.9667 0.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8113 0.7028 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3737 0.3142 0.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5447 1.4178 0.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2008 0.1856 1.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4191 -1.4595 -0.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8424 -0.3001 -1.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2877 -1.2745 0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0588 -1.8293 -0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6706 0.5536 -1.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4221 0.9369 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3385 -1.1810 -0.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7895 1.2992 -1.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0366 0.4032 -0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9001 1.5262 0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2742 -1.2757 1.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2782 0.0507 2.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5563 -1.5985 1.6810 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 6 8 1 0 1 9 1 0 1 10 1 0 1 11 1 0 2 12 1 0 2 13 1 0 3 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 8 26 1 0 M END