HMDB0033816 RDKit 3D Mytilitol 27 27 0 0 0 0 0 0 0 0999 V2000 -2.5613 0.1533 -0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0987 -0.0086 0.2061 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9849 -0.5867 1.4886 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4176 -0.9427 -0.7582 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3374 -0.4074 -2.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 -1.2833 -0.2422 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9275 -2.4709 0.4886 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5654 -0.2001 0.5874 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9599 -0.2927 0.5059 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1137 1.1490 0.0564 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7606 2.1391 0.7942 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3675 1.3051 0.2564 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8721 2.2268 -0.6726 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8069 1.2403 0.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8758 -0.2692 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2075 -0.3373 0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 -1.5017 1.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0416 -1.8555 -0.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1187 -1.0902 -2.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 -1.4314 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2676 -2.3662 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3262 -0.2910 1.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2523 -0.1047 -0.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3445 1.1879 -1.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1886 2.4961 1.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5289 1.7465 1.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9867 1.7958 -1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 1 2 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 2 1 0 1 14 1 0 1 15 1 0 1 16 1 0 3 17 1 0 4 18 1 6 5 19 1 0 6 20 1 6 7 21 1 0 8 22 1 1 9 23 1 0 10 24 1 6 11 25 1 0 12 26 1 1 13 27 1 0 M END