@MOLECULE 2-deoxy-4-o-beta-d-galactopyranosyl-d-arabino-hexose 44 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.0682 -0.9415 1.4486 O.3 1 UNL1111111111 -0.4419 2 O 0.3836 -0.5700 -0.3178 O.3 1 UNL1111111111 -0.4802 3 O -3.4270 -1.4901 -1.8206 O.3 1 UNL1111111111 -0.5251 4 O -0.7054 -2.4760 -1.8341 O.3 1 UNL1111111111 -0.4927 5 O -3.7507 0.9034 -0.2000 O.3 1 UNL1111111111 -0.5357 6 O -1.4110 1.3089 3.2150 O.3 1 UNL1111111111 -0.5394 7 O 2.8454 1.9657 0.2544 O.3 1 UNL1111111111 -0.5643 8 O 3.5893 -0.3468 1.4134 O.3 1 UNL1111111111 -0.5614 9 O 3.9127 -2.6828 -0.3005 O.3 1 UNL1111111111 -0.5330 10 O 0.1985 3.9874 -2.1414 O.2 1 UNL1111111111 -0.4346 11 C -2.3868 -0.8666 -1.1003 C.3 1 UNL1111111111 0.0445 12 C -1.4168 -2.0024 -0.7281 C.3 1 UNL1111111111 0.0721 13 C -2.9823 -0.2139 0.1664 C.3 1 UNL1111111111 0.0358 14 C -0.4175 -1.5185 0.3553 C.3 1 UNL1111111111 0.2689 15 C -1.8733 0.1911 1.1472 C.3 1 UNL1111111111 0.0112 16 C 1.4053 0.0362 0.4543 C.3 1 UNL1111111111 0.0098 17 C -2.4240 0.6238 2.5119 C.3 1 UNL1111111111 -0.0171 18 C 1.8351 1.2453 -0.4178 C.3 1 UNL1111111111 0.1435 19 C 2.5544 -0.9666 0.6926 C.3 1 UNL1111111111 0.0581 20 C 0.6484 2.1505 -0.7282 C.3 1 UNL1111111111 -0.4604 21 C 3.1155 -1.5614 -0.6078 C.3 1 UNL1111111111 -0.0487 22 C 1.0411 3.3053 -1.6172 C.2 1 UNL1111111111 0.3629 23 H -1.9032 -0.1184 -1.7655 H 1 UNL1111111111 0.1329 24 H -1.9757 -2.9074 -0.3845 H 1 UNL1111111111 0.1817 25 H -3.7396 -0.8852 0.6383 H 1 UNL1111111111 0.1749 26 H 0.1907 -2.3285 0.8084 H 1 UNL1111111111 0.1549 27 H -1.2275 0.9904 0.7215 H 1 UNL1111111111 0.1436 28 H 0.9969 0.3789 1.4314 H 1 UNL1111111111 0.1486 29 H -2.7853 -0.2336 3.1069 H 1 UNL1111111111 0.1366 30 H -3.2305 1.3766 2.4038 H 1 UNL1111111111 0.1649 31 H 2.3557 0.9125 -1.3470 H 1 UNL1111111111 0.1597 32 H 2.2371 -1.7865 1.3826 H 1 UNL1111111111 0.1602 33 H -4.1851 -0.8684 -1.9160 H 1 UNL1111111111 0.3271 34 H -0.1847 -1.7531 -2.2519 H 1 UNL1111111111 0.3173 35 H -3.1995 1.6176 -0.5850 H 1 UNL1111111111 0.3196 36 H -0.1622 1.5639 -1.2146 H 1 UNL1111111111 0.1924 37 H 0.1919 2.5547 0.2008 H 1 UNL1111111111 0.1828 38 H 3.7258 -0.8360 -1.1732 H 1 UNL1111111111 0.1243 39 H 2.3184 -1.9752 -1.2553 H 1 UNL1111111111 0.1582 40 H -0.6934 0.6861 3.4586 H 1 UNL1111111111 0.3200 41 H 2.5015 2.4065 1.0620 H 1 UNL1111111111 0.3325 42 H 3.8133 0.5287 1.0178 H 1 UNL1111111111 0.3418 43 H 2.1115 3.4999 -1.7569 H 1 UNL1111111111 0.1289 44 H 4.5773 -2.4383 0.3825 H 1 UNL1111111111 0.3248 @BOND 1 1 14 1 2 1 15 1 3 2 14 1 4 2 16 1 5 3 11 1 6 3 33 1 7 4 12 1 8 4 34 1 9 5 13 1 10 5 35 1 11 6 17 1 12 6 40 1 13 7 18 1 14 7 41 1 15 8 19 1 16 8 42 1 17 9 21 1 18 9 44 1 19 10 22 2 20 11 12 1 21 11 13 1 22 11 23 1 23 12 14 1 24 12 24 1 25 13 15 1 26 13 25 1 27 14 26 1 28 15 17 1 29 15 27 1 30 16 18 1 31 16 19 1 32 16 28 1 33 17 29 1 34 17 30 1 35 18 20 1 36 18 31 1 37 19 21 1 38 19 32 1 39 20 22 1 40 20 36 1 41 20 37 1 42 21 38 1 43 21 39 1 44 22 43 1