@MOLECULE beta-d-glucopyranosyl 6-deoxy-alpha-l-mannopyranosyl-(1->2)-1-c-methyl-beta-d-glucopyranoside 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.8532 -1.9582 0.3413 O.3 1 UNL111111 -0.4585 2 O -1.6496 1.5976 0.3487 O.3 1 UNL111111 -0.4910 3 O -0.1287 -0.8254 -0.4601 O.3 1 UNL111111 -0.4358 4 O 1.6626 -0.9123 0.8580 O.3 1 UNL111111 -0.4691 5 O -0.8026 2.5482 -1.6137 O.3 1 UNL111111 -0.4010 6 O -4.2669 1.0624 -0.9352 O.3 1 UNL111111 -0.1854 7 O -5.3711 -1.2598 0.2400 O.3 1 UNL111111 -0.1762 8 O 1.0713 -2.7496 -2.1899 O.3 1 UNL111111 -0.1686 9 O -0.6534 4.9363 0.0299 O.3 1 UNL111111 -0.1762 10 O 3.9125 -2.2843 -2.2081 O.3 1 UNL111111 -0.1720 11 O 1.4105 3.8351 1.6266 O.3 1 UNL111111 -0.1729 12 O 5.0045 -2.1546 0.4192 O.3 1 UNL111111 -0.1767 13 O 2.6112 2.2989 -0.4167 O.3 1 UNL111111 -0.2064 14 O -3.0962 -4.5230 0.6299 O.3 1 UNL111111 -0.2369 15 O 3.2650 0.4753 2.7494 O.3 1 UNL111111 -0.2294 16 C -2.0648 0.4198 -0.3034 C.3 1 UNL111111 0.0303 17 C -1.2331 -0.6845 0.4114 C.3 1 UNL111111 0.4622 18 C -3.5886 0.3028 -0.0763 C.3 1 UNL111111 -0.0202 19 C -4.0876 -1.1769 -0.1008 C.3 1 UNL111111 -0.0216 20 C -3.1798 -2.0357 0.8145 C.3 1 UNL111111 0.0111 21 C 0.9069 -1.6827 -0.0676 C.3 1 UNL111111 0.3016 22 C -1.4942 2.7624 -0.4373 C.3 1 UNL111111 0.2920 23 C 1.7099 -1.9078 -1.3779 C.3 1 UNL111111 -0.0618 24 C -0.8365 -0.3537 1.8366 C.3 1 UNL111111 -0.5083 25 C -0.7124 3.7015 0.5249 C.3 1 UNL111111 -0.0514 26 C 3.1706 -2.3827 -1.1073 C.3 1 UNL111111 -0.0152 27 C 0.6987 3.0978 0.7839 C.3 1 UNL111111 -0.0182 28 C 3.8382 -1.6165 0.0798 C.3 1 UNL111111 -0.0283 29 C 2.8699 -1.5066 1.2867 C.3 1 UNL111111 0.0134 30 C 1.4200 2.8689 -0.5807 C.3 1 UNL111111 -0.0029 31 C 0.5291 2.0318 -1.5307 C.3 1 UNL111111 -0.2232 32 C -3.5418 -3.4601 0.7439 C.3 1 UNL111111 0.2481 33 C 3.4192 -0.5741 2.2867 C.3 1 UNL111111 0.2447 34 C 1.0206 1.9986 -2.8975 C.3 1 UNL111111 0.2218 35 H -1.8330 0.4409 -1.3969 H 1 UNL111111 0.1801 36 H -3.8597 0.7627 0.9312 H 1 UNL111111 0.2164 37 H -4.0509 -1.5608 -1.1699 H 1 UNL111111 0.2200 38 H -3.2413 -1.6888 1.8771 H 1 UNL111111 0.1636 39 H 0.5371 -2.6069 0.4150 H 1 UNL111111 0.1454 40 H -2.4823 3.1464 -0.7788 H 1 UNL111111 0.1651 41 H 1.7439 -0.9383 -1.9741 H 1 UNL111111 0.2216 42 H -1.6371 0.1576 2.3832 H 1 UNL111111 0.1686 43 H 0.0389 0.3190 1.8547 H 1 UNL111111 0.1872 44 H -0.5551 -1.2529 2.4015 H 1 UNL111111 0.1728 45 H -1.2615 3.8141 1.5096 H 1 UNL111111 0.2162 46 H 3.1676 -3.4951 -0.8860 H 1 UNL111111 0.2109 47 H 0.5910 2.0931 1.3087 H 1 UNL111111 0.2133 48 H 4.1118 -0.5739 -0.2916 H 1 UNL111111 0.2234 49 H 2.6758 -2.5067 1.7454 H 1 UNL111111 0.1632 50 H 1.6507 3.8864 -1.0295 H 1 UNL111111 0.2163 51 H 0.4644 0.9838 -1.1246 H 1 UNL111111 0.1979 @BOND 1 12 28 1 2 10 26 1 3 48 28 1 4 28 26 1 5 28 29 1 6 26 46 1 7 26 23 1 8 33 29 1 9 33 15 1 10 41 23 1 11 29 49 1 12 29 4 1 13 23 8 1 14 23 21 1 15 13 30 1 16 50 30 1 17 34 31 1 18 4 21 1 19 30 31 1 20 30 27 1 21 21 39 1 22 21 3 1 23 31 51 1 24 31 5 1 25 11 27 1 26 3 17 1 27 27 47 1 28 27 25 1 29 5 22 1 30 9 25 1 31 43 24 1 32 25 22 1 33 25 45 1 34 17 24 1 35 17 1 1 36 17 16 1 37 35 16 1 38 44 24 1 39 22 2 1 40 22 40 1 41 24 42 1 42 1 20 1 43 2 16 1 44 16 18 1 45 20 32 1 46 20 38 1 47 20 19 1 48 37 19 1 49 32 14 1 50 18 19 1 51 18 6 1 52 18 36 1 53 19 7 1