@MOLECULE 2,5-anhydro-3-o-alpha-l-idopyranuronosyl-d-mannitol 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2998 -0.1889 -0.0312 O.3 1 UNL1111111111 -0.5000 2 O 3.4364 -0.2613 -0.0340 O.3 1 UNL1111111111 -0.4320 3 O -1.6968 0.4570 -0.9444 O.3 1 UNL1111111111 -0.3819 4 O 2.2922 2.6789 0.4675 O.3 1 UNL1111111111 -0.5373 5 O -1.9009 -2.4759 -1.5985 O.3 1 UNL1111111111 -0.5252 6 O -1.2901 -1.7259 1.9063 O.3 1 UNL1111111111 -0.5284 7 O -3.9487 -1.1646 -0.4033 O.3 1 UNL1111111111 -0.5596 8 O 4.1003 -0.3594 -2.7942 O.3 1 UNL1111111111 -0.5298 9 O 4.1541 -1.0788 2.5149 O.3 1 UNL1111111111 -0.5244 10 O -4.0874 1.8755 1.2029 O.3 1 UNL1111111111 -0.5753 11 O -3.5176 2.4214 -0.8815 O.2 1 UNL1111111111 -0.4369 12 C 1.2946 0.7053 -0.4996 C.3 1 UNL1111111111 0.0420 13 C 1.8695 1.3724 0.7764 C.3 1 UNL1111111111 0.0779 14 C 2.4565 -0.1323 -1.0561 C.3 1 UNL1111111111 0.0234 15 C 3.1512 0.5798 1.0801 C.3 1 UNL1111111111 0.0422 16 C -0.7025 -0.5291 -0.9594 C.3 1 UNL1111111111 0.2683 17 C -1.1804 -1.9387 -0.5234 C.3 1 UNL1111111111 0.0412 18 C -2.0536 -1.8948 0.7443 C.3 1 UNL1111111111 0.0810 19 C -3.0880 -0.7451 0.6399 C.3 1 UNL1111111111 0.0693 20 C -2.3776 0.5766 0.2924 C.3 1 UNL1111111111 -0.0270 21 C 3.1494 0.5314 -2.2539 C.3 1 UNL1111111111 -0.0406 22 C 2.9651 -0.3596 2.2822 C.3 1 UNL1111111111 -0.0409 23 C -3.3478 1.7198 0.0723 C.2 1 UNL1111111111 0.5924 24 H 0.8734 1.4411 -1.2102 H 1 UNL1111111111 0.1548 25 H 1.1424 1.3931 1.6111 H 1 UNL1111111111 0.1376 26 H 2.1615 -1.1823 -1.2862 H 1 UNL1111111111 0.1655 27 H 4.0466 1.2332 1.1909 H 1 UNL1111111111 0.1747 28 H -0.3619 -0.5008 -2.0220 H 1 UNL1111111111 0.1624 29 H -0.3093 -2.6263 -0.3995 H 1 UNL1111111111 0.1749 30 H -2.5749 -2.8712 0.9065 H 1 UNL1111111111 0.1785 31 H -3.6993 -0.6485 1.5644 H 1 UNL1111111111 0.1633 32 H -1.6474 0.8590 1.0932 H 1 UNL1111111111 0.1769 33 H 3.6533 1.4710 -1.9615 H 1 UNL1111111111 0.1403 34 H 2.4597 0.7161 -3.0970 H 1 UNL1111111111 0.1463 35 H 2.1399 -1.0763 2.1173 H 1 UNL1111111111 0.1298 36 H 2.8070 0.1964 3.2248 H 1 UNL1111111111 0.1464 37 H 1.5371 3.3018 0.4504 H 1 UNL1111111111 0.3222 38 H -2.8074 -2.0719 -1.6191 H 1 UNL1111111111 0.3492 39 H -0.5241 -1.1313 1.7462 H 1 UNL1111111111 0.3281 40 H -4.5183 -0.4285 -0.7098 H 1 UNL1111111111 0.3364 41 H 4.7194 -0.6495 -2.0877 H 1 UNL1111111111 0.3236 42 H 4.4392 -1.5185 1.6824 H 1 UNL1111111111 0.3245 43 H -4.7301 2.6280 1.1666 H 1 UNL1111111111 0.3660 @BOND 1 1 12 1 2 1 16 1 3 2 14 1 4 2 15 1 5 3 16 1 6 3 20 1 7 4 13 1 8 4 37 1 9 5 17 1 10 5 38 1 11 6 18 1 12 6 39 1 13 7 19 1 14 7 40 1 15 8 21 1 16 8 41 1 17 9 22 1 18 9 42 1 19 10 23 1 20 10 43 1 21 11 23 2 22 12 13 1 23 12 14 1 24 12 24 1 25 13 15 1 26 13 25 1 27 14 21 1 28 14 26 1 29 15 22 1 30 15 27 1 31 16 17 1 32 16 28 1 33 17 18 1 34 17 29 1 35 18 19 1 36 18 30 1 37 19 20 1 38 19 31 1 39 20 23 1 40 20 32 1 41 21 33 1 42 21 34 1 43 22 35 1 44 22 36 1