@MOLECULE l-iduronic acid 23 22 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0253 -1.7701 0.1826 O.3 1 UNL1111111111 -0.5797 2 O -1.7291 -1.6993 0.2292 O.3 1 UNL1111111111 -0.5729 3 O 1.1008 1.0024 1.4407 O.3 1 UNL1111111111 -0.5140 4 O -1.4826 1.1174 -1.0309 O.3 1 UNL1111111111 -0.5500 5 O 2.8116 -0.2154 -1.4372 O.3 1 UNL1111111111 -0.5853 6 O 3.6543 0.6065 0.4588 O.2 1 UNL1111111111 -0.4629 7 O -4.0174 0.4824 -0.5367 O.2 1 UNL1111111111 -0.4265 8 C 0.3643 -0.5912 -0.2379 C.3 1 UNL1111111111 0.0791 9 C -0.9381 -0.5847 0.5852 C.3 1 UNL1111111111 0.1069 10 C 1.2320 0.6384 0.0951 C.3 1 UNL1111111111 0.0336 11 C -1.7947 0.6559 0.2593 C.3 1 UNL1111111111 0.0052 12 C 2.6920 0.3776 -0.2172 C.2 1 UNL1111111111 0.5858 13 C -3.2727 0.3060 0.3939 C.2 1 UNL1111111111 0.3258 14 H 0.1568 -0.6494 -1.3321 H 1 UNL1111111111 0.1649 15 H -0.7250 -0.6591 1.6770 H 1 UNL1111111111 0.1462 16 H 0.8618 1.5479 -0.4549 H 1 UNL1111111111 0.2060 17 H -1.5142 1.5117 0.9238 H 1 UNL1111111111 0.1760 18 H 1.7097 -2.0278 -0.4726 H 1 UNL1111111111 0.3396 19 H -1.1772 -2.5140 0.2156 H 1 UNL1111111111 0.3465 20 H -3.6141 -0.0995 1.3505 H 1 UNL1111111111 0.1277 21 H 1.5804 0.3719 2.0300 H 1 UNL1111111111 0.3344 22 H -2.1963 0.8670 -1.6703 H 1 UNL1111111111 0.3490 23 H 3.7479 -0.3489 -1.7284 H 1 UNL1111111111 0.3644 @BOND 1 1 8 1 2 1 18 1 3 2 9 1 4 2 19 1 5 3 10 1 6 3 21 1 7 4 11 1 8 4 22 1 9 5 12 1 10 5 23 1 11 6 12 2 12 7 13 2 13 8 9 1 14 8 10 1 15 8 14 1 16 9 11 1 17 9 15 1 18 10 12 1 19 10 16 1 20 11 13 1 21 11 17 1 22 13 20 1