HMDB0002712 RDKit 3D 1,5-Anhydrosorbitol 23 23 0 0 0 0 0 0 0 0999 V2000 -2.6423 -0.2429 -1.4171 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2994 -0.7347 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8121 -0.5722 0.0652 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1532 -1.2858 -0.9199 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1525 -0.8949 -1.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7963 -0.3259 0.1187 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7750 -1.2890 1.1217 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0556 0.9117 0.5514 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6453 2.0562 0.0589 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3828 0.8603 0.0731 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1365 1.6339 0.9226 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9585 0.6896 -1.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -1.8021 -0.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8834 -0.2112 0.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5702 -1.0278 1.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7296 -1.8100 -1.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2131 -0.1935 -1.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8572 -0.0983 -0.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4681 -1.9616 0.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0046 0.9635 1.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0687 2.5854 -0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4042 1.3185 -0.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9253 1.4305 1.8704 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 8 9 1 0 8 10 1 0 10 11 1 0 10 3 1 0 1 12 1 0 2 13 1 0 2 14 1 0 3 15 1 1 5 16 1 0 5 17 1 0 6 18 1 6 7 19 1 0 8 20 1 1 9 21 1 0 10 22 1 6 11 23 1 0 M END