@MOLECULE l-()-sorbose 24 23 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.3020 -1.4930 0.4717 O.3 1 UNL11111111 -0.5882 2 O 2.3792 -1.6179 0.3235 O.3 1 UNL11111111 -0.5921 3 O 0.1666 1.7301 0.1000 O.3 1 UNL11111111 -0.5498 4 O 3.8920 0.6792 0.0282 O.3 1 UNL11111111 -0.5648 5 O -2.2172 1.0668 1.0273 O.2 1 UNL11111111 -0.4482 6 O -4.0970 -0.3052 -0.3924 O.3 1 UNL11111111 -0.5186 7 C 0.4104 -0.6224 -0.3864 C.3 1 UNL11111111 0.0922 8 C 1.7969 -0.3273 0.2204 C.3 1 UNL11111111 0.1045 9 C -0.4698 0.6410 -0.5178 C.3 1 UNL11111111 0.0077 10 C 2.6692 0.5560 -0.6828 C.3 1 UNL11111111 -0.0554 11 C -1.8535 0.4064 0.0855 C.2 1 UNL11111111 0.4165 12 C -2.7396 -0.6469 -0.5334 C.3 1 UNL11111111 -0.0962 13 H 0.5110 -1.1514 -1.3628 H 1 UNL11111111 0.1409 14 H 1.7199 0.0935 1.2485 H 1 UNL11111111 0.1545 15 H -0.5545 0.9605 -1.5850 H 1 UNL11111111 0.1621 16 H 2.9060 0.0599 -1.6416 H 1 UNL11111111 0.1331 17 H 2.2126 1.5446 -0.8635 H 1 UNL11111111 0.1475 18 H 0.3095 -2.1635 0.8600 H 1 UNL11111111 0.3597 19 H -2.6062 -0.7542 -1.6257 H 1 UNL11111111 0.1593 20 H -2.5566 -1.6330 -0.0470 H 1 UNL11111111 0.1753 21 H 3.3350 -1.5371 0.5361 H 1 UNL11111111 0.3515 22 H -0.2520 1.9330 0.9755 H 1 UNL11111111 0.3514 23 H 4.2918 1.5566 -0.1163 H 1 UNL11111111 0.3257 24 H -4.2646 0.0584 0.5098 H 1 UNL11111111 0.3313 @BOND 1 16 10 1 2 19 12 1 3 15 9 1 4 13 7 1 5 17 10 1 6 10 4 1 7 10 8 1 8 12 6 1 9 12 20 1 10 12 11 1 11 9 7 1 12 9 11 1 13 9 3 1 14 6 24 1 15 7 8 1 16 7 1 1 17 23 4 1 18 11 5 2 19 3 22 1 20 8 2 1 21 8 14 1 22 2 21 1 23 1 18 1