@MOLECULE alpha-d-lyxopyranose 20 20 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.0929 0.6208 0.3601 C.3 1 UNL11111111 0.3208 2 C 0.7061 -0.5272 -0.6028 C.3 1 UNL11111111 0.0027 3 O 1.6493 -1.5720 -0.4880 O.3 1 UNL11111111 -0.5554 4 C -0.6357 -1.1418 -0.1642 C.3 1 UNL11111111 0.0820 5 O -0.5118 -1.7210 1.1181 O.3 1 UNL11111111 -0.5595 6 C -1.7060 -0.0392 0.0162 C.3 1 UNL11111111 0.0810 7 C -1.1638 1.0978 0.8916 C.3 1 UNL11111111 -0.0673 8 O 0.0524 1.5862 0.3532 O.3 1 UNL11111111 -0.4742 9 O -2.0805 0.4355 -1.2529 O.3 1 UNL11111111 -0.5386 10 O 2.2347 1.2564 -0.1315 O.3 1 UNL11111111 -0.5684 11 H -1.0162 0.7735 1.9380 H 1 UNL11111111 0.1492 12 H -1.8127 1.9937 0.8626 H 1 UNL11111111 0.1596 13 H 1.3443 0.2955 1.3901 H 1 UNL11111111 0.1511 14 H 0.6792 -0.1867 -1.6592 H 1 UNL11111111 0.1435 15 H -0.9720 -1.9267 -0.8768 H 1 UNL11111111 0.1509 16 H -2.6480 -0.4700 0.4280 H 1 UNL11111111 0.1678 17 H 2.0097 2.0505 -0.6647 H 1 UNL11111111 0.3461 18 H 2.5601 -1.2083 -0.5787 H 1 UNL11111111 0.3404 19 H -1.4283 1.0935 -1.5795 H 1 UNL11111111 0.3242 20 H 0.2835 -2.3034 1.1372 H 1 UNL11111111 0.3444 @BOND 1 14 2 1 2 19 9 1 3 9 6 1 4 15 4 1 5 17 10 1 6 2 3 1 7 2 4 1 8 2 1 1 9 18 3 1 10 4 6 1 11 4 5 1 12 10 1 1 13 6 16 1 14 6 7 1 15 8 1 1 16 8 7 1 17 1 13 1 18 12 7 1 19 7 11 1 20 5 20 1