@MOLECULE methyl 6-thio-beta-d-galacto-hexodialdo-1,5-pyranoside 25 25 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.2136 -1.0565 0.5455 C.3 1 UNL11111 0.3073 2 C 0.6823 -2.8883 -0.8921 C.3 1 UNL11111 -0.1681 3 O 1.2178 -1.5832 -0.7728 O.3 1 UNL11111 -0.4755 4 C 2.0278 0.2448 0.3971 C.3 1 UNL11111 0.0297 5 O 2.5919 0.4388 1.6788 O.3 1 UNL11111 -0.5435 6 C 1.1818 1.4745 0.0203 C.3 1 UNL11111 0.0498 7 O 1.8262 2.1472 -1.0327 O.3 1 UNL11111 -0.5434 8 C -0.2534 1.1006 -0.4027 C.3 1 UNL11111 0.0566 9 O -0.2258 0.4927 -1.6649 O.3 1 UNL11111 -0.5603 10 C -0.8896 0.1861 0.6581 C.3 1 UNL11111 0.0430 11 O -0.0889 -0.9324 1.0139 O.3 1 UNL11111 -0.4409 12 C -2.1917 -0.3719 0.1602 C.2 1 UNL11111 -0.1232 13 S -3.5847 0.3715 0.2749 S.2 1 UNL11111 -0.0764 14 H 1.6537 -1.7802 1.2715 H 1 UNL11111 0.1626 15 H 0.6608 -3.0534 -1.9766 H 1 UNL11111 0.1489 16 H 1.3515 -3.6055 -0.4065 H 1 UNL11111 0.1316 17 H -0.3243 -2.9454 -0.4686 H 1 UNL11111 0.1351 18 H 2.8515 0.0962 -0.3442 H 1 UNL11111 0.1632 19 H 3.2696 1.1496 1.6467 H 1 UNL11111 0.3293 20 H 1.1819 2.2247 0.8473 H 1 UNL11111 0.1667 21 H 1.5344 1.7769 -1.9020 H 1 UNL11111 0.3404 22 H -0.8678 2.0160 -0.5818 H 1 UNL11111 0.1741 23 H 0.2283 -0.3877 -1.6073 H 1 UNL11111 0.3501 24 H -0.9931 0.7336 1.6318 H 1 UNL11111 0.1698 25 H -2.0900 -1.3618 -0.3043 H 1 UNL11111 0.1732 @BOND 1 1 3 1 2 1 4 1 3 1 11 1 4 1 14 1 5 2 3 1 6 2 15 1 7 2 16 1 8 2 17 1 9 4 5 1 10 4 6 1 11 4 18 1 12 5 19 1 13 6 7 1 14 6 8 1 15 6 20 1 16 7 21 1 17 8 9 1 18 8 10 1 19 8 22 1 20 9 23 1 21 10 11 1 22 10 12 1 23 10 24 1 24 12 13 2 25 12 25 1