@MOLECULE (1r,4s,5r)-3-fluoro-1,4,5-trihydroxy-2-cyclohexene-1-carboxylic acid 22 22 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.2678 1.3172 0.1138 C.3 1 UNL1111111111 -0.3307 2 F 1.6313 -2.3719 0.3441 F 1 UNL1111111111 -0.1685 3 C 1.2124 1.2234 -0.2648 C.3 1 UNL1111111111 0.1600 4 O 1.8079 2.3796 0.2801 O.3 1 UNL1111111111 -0.5524 5 C 1.8606 -0.0207 0.4006 C.3 1 UNL1111111111 0.0420 6 O 3.0901 -0.1644 -0.2732 O.3 1 UNL1111111111 -0.5359 7 C 0.9905 -1.2270 0.1762 C.2 1 UNL1111111111 0.1995 8 C -0.3058 -1.2184 -0.1465 C.2 1 UNL1111111111 -0.3338 9 C -2.4219 -0.0387 0.2371 C.2 1 UNL1111111111 0.5779 10 O -2.4680 0.4763 1.4842 O.3 1 UNL1111111111 -0.5437 11 O -1.1953 0.2966 -1.7609 O.3 1 UNL1111111111 -0.5207 12 O -3.3805 -0.5434 -0.2819 O.2 1 UNL1111111111 -0.4960 13 C -1.0211 0.0804 -0.3799 C.3 1 UNL1111111111 0.2668 14 H -0.3785 1.4500 1.2108 H 1 UNL1111111111 0.1885 15 H -0.7039 2.2375 -0.3351 H 1 UNL1111111111 0.1910 16 H 1.3687 1.2078 -1.3683 H 1 UNL1111111111 0.1565 17 H 2.7584 2.4116 0.0358 H 1 UNL1111111111 0.3309 18 H 2.0439 0.1594 1.4868 H 1 UNL1111111111 0.1566 19 H 3.6692 -0.8217 0.1671 H 1 UNL1111111111 0.3277 20 H -0.8882 -2.1260 -0.2979 H 1 UNL1111111111 0.1898 21 H -3.3596 0.4058 1.9124 H 1 UNL1111111111 0.3589 22 H -1.7572 -0.4054 -2.1676 H 1 UNL1111111111 0.3356 @BOND 1 1 3 1 2 1 13 1 3 1 14 1 4 1 15 1 5 2 7 1 6 3 4 1 7 3 5 1 8 3 16 1 9 4 17 1 10 5 6 1 11 5 7 1 12 5 18 1 13 6 19 1 14 7 8 2 15 8 13 1 16 8 20 1 17 9 10 1 18 9 12 2 19 9 13 1 20 10 21 1 21 11 13 1 22 11 22 1