@MOLECULE 3-deoxy-3-fluoro-d-sorbose 23 22 0 0 0 SMALL GASTEIGER @ATOM 1 F -0.8172 -1.8940 -0.4781 F 1 UNL1111111111 -0.1498 2 O 0.8479 -1.2152 1.7686 O.3 1 UNL1111111111 -0.5430 3 O 1.5912 -1.1449 -0.8008 O.3 1 UNL1111111111 -0.5495 4 O 3.0863 1.2214 -0.9008 O.3 1 UNL1111111111 -0.5614 5 O -2.4433 -0.1052 -1.3766 O.2 1 UNL1111111111 -0.3709 6 O -1.1837 2.1991 0.4686 O.3 1 UNL1111111111 -0.5231 7 C 0.2262 -0.2957 0.9118 C.3 1 UNL1111111111 0.0985 8 C 1.1649 0.0854 -0.2502 C.3 1 UNL1111111111 0.0860 9 C -1.0978 -0.9186 0.4125 C.3 1 UNL1111111111 -0.0746 10 C 2.3837 0.8593 0.2790 C.3 1 UNL1111111111 -0.0577 11 C -1.9967 0.0910 -0.2809 C.2 1 UNL1111111111 0.3639 12 C -2.3265 1.3732 0.4804 C.3 1 UNL1111111111 -0.1122 13 H 0.0243 0.5800 1.5767 H 1 UNL1111111111 0.1696 14 H 0.6390 0.6616 -1.0443 H 1 UNL1111111111 0.1434 15 H -1.6398 -1.3810 1.2889 H 1 UNL1111111111 0.1709 16 H 3.0232 0.2217 0.9150 H 1 UNL1111111111 0.1386 17 H 2.0945 1.7732 0.8251 H 1 UNL1111111111 0.1286 18 H 1.2831 -1.9303 1.2411 H 1 UNL1111111111 0.3471 19 H -2.5196 1.1949 1.5550 H 1 UNL1111111111 0.1613 20 H -3.1945 1.8960 0.0392 H 1 UNL1111111111 0.1488 21 H 2.3139 -0.9761 -1.4488 H 1 UNL1111111111 0.3396 22 H 3.9380 1.6406 -0.6771 H 1 UNL1111111111 0.3209 23 H -1.0758 2.6229 -0.4123 H 1 UNL1111111111 0.3250 @BOND 1 1 9 1 2 2 7 1 3 2 18 1 4 3 8 1 5 3 21 1 6 4 10 1 7 4 22 1 8 5 11 2 9 6 12 1 10 6 23 1 11 7 8 1 12 7 9 1 13 7 13 1 14 8 10 1 15 8 14 1 16 9 11 1 17 9 15 1 18 10 16 1 19 10 17 1 20 11 12 1 21 12 19 1 22 12 20 1