@MOLECULE 2-deoxy-4-o-alpha-d-glucopyranosyl-alpha-d-arabino-hexopyranose 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.8393 0.9948 0.8704 C.3 1 UNL1111111111 0.2794 2 C 1.7450 1.9130 0.0131 C.3 1 UNL1111111111 0.0299 3 C 2.5415 1.0810 -1.0057 C.3 1 UNL1111111111 0.0515 4 C 3.2622 -0.0815 -0.2969 C.3 1 UNL1111111111 0.0752 5 C 2.2277 -0.9121 0.4863 C.3 1 UNL1111111111 0.0471 6 C 2.8945 -1.9743 1.3681 C.3 1 UNL1111111111 -0.0161 7 O -0.1197 0.5251 -0.0510 O.3 1 UNL1111111111 -0.4830 8 O 0.9804 2.8748 -0.6682 O.3 1 UNL1111111111 -0.5395 9 O 3.5798 1.8629 -1.5607 O.3 1 UNL1111111111 -0.5700 10 O 3.8018 -0.9725 -1.2478 O.3 1 UNL1111111111 -0.5489 11 O 1.5607 -0.0676 1.4181 O.3 1 UNL1111111111 -0.4513 12 O 1.9104 -2.8035 1.9479 O.3 1 UNL1111111111 -0.5381 13 C -4.1350 -0.0541 -0.1669 C.3 1 UNL1111111111 0.3787 14 C -3.6937 0.7748 1.0351 C.3 1 UNL1111111111 -0.3983 15 C -2.2357 1.2087 0.8662 C.3 1 UNL1111111111 0.1326 16 C -1.3223 0.0176 0.5079 C.3 1 UNL1111111111 0.0568 17 C -1.9183 -0.7965 -0.6607 C.3 1 UNL1111111111 0.0537 18 C -1.2368 -2.1645 -0.8155 C.3 1 UNL1111111111 -0.0198 19 O -4.1332 0.8262 -1.2624 O.3 1 UNL1111111111 -0.5978 20 O -1.7493 1.6506 2.1227 O.3 1 UNL1111111111 -0.5784 21 O -3.2715 -1.1325 -0.4000 O.3 1 UNL1111111111 -0.4738 22 O -1.6146 -2.7356 -2.0472 O.3 1 UNL1111111111 -0.5289 23 H 0.3870 1.4851 1.7609 H 1 UNL1111111111 0.1747 24 H 2.4183 2.5239 0.6579 H 1 UNL1111111111 0.1683 25 H 1.8986 0.7194 -1.8400 H 1 UNL1111111111 0.1539 26 H 4.0908 0.2903 0.3446 H 1 UNL1111111111 0.1440 27 H 1.4783 -1.3707 -0.1983 H 1 UNL1111111111 0.1592 28 H 3.5068 -1.5267 2.1703 H 1 UNL1111111111 0.1271 29 H 3.5080 -2.6693 0.7602 H 1 UNL1111111111 0.1647 30 H 0.1723 2.4586 -1.0498 H 1 UNL1111111111 0.3337 31 H 3.2240 2.7317 -1.8517 H 1 UNL1111111111 0.3392 32 H 4.3202 -0.4662 -1.9148 H 1 UNL1111111111 0.3391 33 H 1.2535 -2.2493 2.4208 H 1 UNL1111111111 0.3199 34 H -5.1263 -0.5479 -0.0672 H 1 UNL1111111111 0.1324 35 H -3.8041 0.1792 1.9647 H 1 UNL1111111111 0.1786 36 H -4.3515 1.6573 1.1506 H 1 UNL1111111111 0.1693 37 H -2.1304 2.0289 0.1215 H 1 UNL1111111111 0.1411 38 H -1.1016 -0.6037 1.4012 H 1 UNL1111111111 0.1589 39 H -1.8691 -0.2158 -1.6108 H 1 UNL1111111111 0.1575 40 H -0.1361 -2.0635 -0.9017 H 1 UNL1111111111 0.1615 41 H -1.4907 -2.8521 0.0108 H 1 UNL1111111111 0.1343 42 H -4.2402 0.3512 -2.1106 H 1 UNL1111111111 0.3389 43 H -2.1316 2.5151 2.3647 H 1 UNL1111111111 0.3257 44 H -2.5813 -2.9004 -2.0559 H 1 UNL1111111111 0.3174 @BOND 1 1 2 1 2 1 7 1 3 1 11 1 4 1 23 1 5 2 3 1 6 2 8 1 7 2 24 1 8 3 4 1 9 3 9 1 10 3 25 1 11 4 5 1 12 4 10 1 13 4 26 1 14 5 6 1 15 5 11 1 16 5 27 1 17 6 12 1 18 6 28 1 19 6 29 1 20 7 16 1 21 8 30 1 22 9 31 1 23 10 32 1 24 12 33 1 25 13 14 1 26 13 19 1 27 13 21 1 28 13 34 1 29 14 15 1 30 14 35 1 31 14 36 1 32 15 16 1 33 15 20 1 34 15 37 1 35 16 17 1 36 16 38 1 37 17 18 1 38 17 21 1 39 17 39 1 40 18 22 1 41 18 40 1 42 18 41 1 43 19 42 1 44 20 43 1 45 22 44 1