@MOLECULE alpha-d-glucopyranosyl 1-c-methyl-4-thio-alpha-d-glucopyranoside 48 49 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.4717 -1.1949 1.1108 S.3 1 UNL1111111111 -0.1904 2 O -1.3698 -0.4135 -1.3482 O.3 1 UNL1111111111 -0.4711 3 O -0.1392 0.8172 0.1985 O.3 1 UNL1111111111 -0.5018 4 O 1.8672 0.1158 -0.7468 O.3 1 UNL1111111111 -0.4406 5 O -1.6416 2.9686 0.0047 O.3 1 UNL1111111111 -0.5465 6 O -4.2671 1.7943 0.4698 O.3 1 UNL1111111111 -0.5748 7 O 1.7569 1.4871 1.8570 O.3 1 UNL1111111111 -0.5194 8 O 2.4945 -2.0661 1.8600 O.3 1 UNL1111111111 -0.5292 9 O 4.8987 0.1883 1.2249 O.3 1 UNL1111111111 -0.5486 10 O -1.1230 -3.0914 -1.2751 O.3 1 UNL1111111111 -0.5436 11 O 4.5092 -0.5773 -2.0613 O.3 1 UNL1111111111 -0.5205 12 C -0.9049 0.8574 -0.9822 C.3 1 UNL1111111111 0.4504 13 C -2.0956 1.7815 -0.5922 C.3 1 UNL1111111111 0.0256 14 C -3.0495 1.0726 0.3940 C.3 1 UNL1111111111 0.1042 15 C -3.4324 -0.3166 -0.1269 C.3 1 UNL1111111111 -0.2416 16 C -2.1543 -1.1160 -0.3869 C.3 1 UNL1111111111 0.0730 17 C 0.9335 -0.0837 0.2805 C.3 1 UNL1111111111 0.3244 18 C 1.5092 0.1043 1.6943 C.3 1 UNL1111111111 0.0262 19 C 2.8221 -0.7030 1.7922 C.3 1 UNL1111111111 0.0699 20 C 3.7719 -0.4104 0.6120 C.3 1 UNL1111111111 0.0494 21 C 3.1560 0.5921 -0.3847 C.3 1 UNL1111111111 0.0294 22 C -0.1110 1.3548 -2.1756 C.3 1 UNL1111111111 -0.4852 23 C -2.3770 -2.4649 -1.1013 C.3 1 UNL1111111111 -0.0132 24 C 3.9010 0.6465 -1.7325 C.3 1 UNL1111111111 -0.0357 25 H -2.6385 2.1289 -1.5016 H 1 UNL1111111111 0.1692 26 H -2.6059 1.0504 1.4179 H 1 UNL1111111111 0.1498 27 H -4.0149 -0.2059 -1.0730 H 1 UNL1111111111 0.1830 28 H -1.5469 -1.2531 0.5374 H 1 UNL1111111111 0.1492 29 H 0.5587 -1.1159 0.0911 H 1 UNL1111111111 0.1371 30 H 0.7832 -0.2111 2.4766 H 1 UNL1111111111 0.1559 31 H 3.3490 -0.5285 2.7625 H 1 UNL1111111111 0.1782 32 H 4.0680 -1.3627 0.1158 H 1 UNL1111111111 0.1526 33 H 3.0694 1.6088 0.0703 H 1 UNL1111111111 0.1690 34 H 0.5138 2.2100 -1.8751 H 1 UNL1111111111 0.1783 35 H 0.5624 0.5749 -2.5640 H 1 UNL1111111111 0.1828 36 H -0.7613 1.6711 -2.9983 H 1 UNL1111111111 0.1623 37 H -2.8631 -2.3371 -2.0846 H 1 UNL1111111111 0.1320 38 H -2.9459 -3.1852 -0.4856 H 1 UNL1111111111 0.1593 39 H 4.6394 1.4615 -1.7549 H 1 UNL1111111111 0.1203 40 H 3.1795 0.7820 -2.5604 H 1 UNL1111111111 0.1703 41 H -0.8492 2.7906 0.5698 H 1 UNL1111111111 0.3481 42 H -4.0737 2.7529 0.5818 H 1 UNL1111111111 0.3425 43 H -5.3705 -0.2257 1.3495 H 1 UNL1111111111 0.1886 44 H 2.2531 1.6546 2.6873 H 1 UNL1111111111 0.3189 45 H 2.1189 -2.3901 1.0105 H 1 UNL1111111111 0.3213 46 H 5.6346 0.2854 0.5935 H 1 UNL1111111111 0.3140 47 H -0.5175 -2.5042 -1.7692 H 1 UNL1111111111 0.3268 48 H 5.3374 -0.7197 -1.5586 H 1 UNL1111111111 0.3002 @BOND 1 1 15 1 2 1 43 1 3 2 12 1 4 2 16 1 5 3 12 1 6 3 17 1 7 4 17 1 8 4 21 1 9 5 13 1 10 5 41 1 11 6 14 1 12 6 42 1 13 7 18 1 14 7 44 1 15 8 19 1 16 8 45 1 17 9 20 1 18 9 46 1 19 10 23 1 20 10 47 1 21 11 24 1 22 11 48 1 23 12 13 1 24 12 22 1 25 13 14 1 26 13 25 1 27 14 15 1 28 14 26 1 29 15 16 1 30 15 27 1 31 16 23 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 21 1 40 20 32 1 41 21 24 1 42 21 33 1 43 22 34 1 44 22 35 1 45 22 36 1 46 23 37 1 47 23 38 1 48 24 39 1 49 24 40 1