@MOLECULE 2-sulfanylethyl beta-d-galactopyranoside 31 31 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8918 2.8030 0.5418 O.3 1 UNL11 -0.5646 2 C -1.0926 1.5180 -0.0078 C.3 1 UNL11 0.0378 3 C -2.4834 1.0927 0.4830 C.3 1 UNL11 0.0678 4 O -3.4829 1.8245 -0.1984 O.3 1 UNL11 -0.5620 5 C -2.7520 -0.3812 0.1159 C.3 1 UNL11 0.0675 6 O -2.8634 -0.5444 -1.2800 O.3 1 UNL11 -0.5392 7 C -1.5810 -1.2794 0.5574 C.3 1 UNL11 0.0493 8 C -1.6504 -2.6409 -0.1567 C.3 1 UNL11 0.0017 9 O -0.9264 -3.5954 0.5863 O.3 1 UNL11 -0.5492 10 O -0.3191 -0.7793 0.1485 O.3 1 UNL11 -0.4618 11 C -0.0341 0.5455 0.5557 C.3 1 UNL11 0.2763 12 O 1.1545 0.9240 -0.0846 O.3 1 UNL11 -0.4431 13 C 2.2178 -0.0240 0.0516 C.3 1 UNL11 -0.0022 14 C 3.4415 0.7641 -0.4073 C.3 1 UNL11 -0.3452 15 S 4.9341 -0.2849 -0.2277 S.3 1 UNL11 -0.1730 16 H 5.4992 -0.0911 -1.4256 H 1 UNL11 0.1582 17 H 0.0124 3.1232 0.3271 H 1 UNL11 0.3394 18 H -1.0383 1.5749 -1.1182 H 1 UNL11 0.1663 19 H -2.6049 1.2846 1.5732 H 1 UNL11 0.1453 20 H 0.0913 0.5822 1.6569 H 1 UNL11 0.1210 21 H -3.2573 2.7832 -0.1809 H 1 UNL11 0.3447 22 H -3.7140 -0.7242 0.5647 H 1 UNL11 0.1437 23 H -3.3642 0.2159 -1.6605 H 1 UNL11 0.3404 24 H -1.5651 -1.4004 1.6640 H 1 UNL11 0.1391 25 H -2.6773 -3.0475 -0.1822 H 1 UNL11 0.1531 26 H -1.2517 -2.5726 -1.1872 H 1 UNL11 0.1507 27 H 0.0230 -3.3552 0.6080 H 1 UNL11 0.3207 28 H 2.2835 -0.3603 1.1016 H 1 UNL11 0.1287 29 H 1.9861 -0.8863 -0.6028 H 1 UNL11 0.1474 30 H 3.3024 1.1088 -1.4484 H 1 UNL11 0.1689 31 H 3.5629 1.6808 0.2027 H 1 UNL11 0.1724 @BOND 1 1 2 1 2 1 17 1 3 2 3 1 4 2 11 1 5 2 18 1 6 3 4 1 7 3 5 1 8 3 19 1 9 4 21 1 10 5 6 1 11 5 7 1 12 5 22 1 13 6 23 1 14 7 8 1 15 7 10 1 16 7 24 1 17 8 9 1 18 8 25 1 19 8 26 1 20 9 27 1 21 10 11 1 22 11 12 1 23 11 20 1 24 12 13 1 25 13 14 1 26 13 28 1 27 13 29 1 28 14 15 1 29 14 30 1 30 14 31 1 31 15 16 1