@MOLECULE 1,2,3,4,6-penta-o-acetyl-d-mannopyranose 49 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5780 -1.2464 1.1006 O.3 1 UNL1111111111 -0.3977 2 O 0.9680 0.2079 -1.6279 O.3 1 UNL1111111111 -0.4213 3 O -0.1382 2.1454 0.0327 O.3 1 UNL1111111111 -0.4474 4 O 2.3988 -1.0842 1.3723 O.3 1 UNL1111111111 -0.4394 5 O -0.0179 -2.3967 -0.8001 O.3 1 UNL1111111111 -0.4919 6 O -3.2816 0.1122 0.5129 O.3 1 UNL1111111111 -0.4355 7 O 1.5805 2.3337 -2.0726 O.2 1 UNL1111111111 -0.5242 8 O 1.5707 3.1432 1.0975 O.2 1 UNL1111111111 -0.5110 9 O 4.3580 -0.8771 0.2900 O.2 1 UNL1111111111 -0.4897 10 O -0.9821 -4.2282 0.0841 O.2 1 UNL1111111111 -0.4899 11 O -4.5760 1.3815 1.8394 O.2 1 UNL1111111111 -0.5073 12 C 1.4072 0.3215 -0.2773 C.3 1 UNL1111111111 0.0462 13 C 0.2709 0.9022 0.5775 C.3 1 UNL1111111111 0.0387 14 C 1.7021 -1.1324 0.1346 C.3 1 UNL1111111111 0.0321 15 C -0.9556 -0.0227 0.4745 C.3 1 UNL1111111111 0.0656 16 C 0.4373 -1.9580 0.4750 C.3 1 UNL1111111111 0.3154 17 C -2.1397 0.4766 1.2976 C.3 1 UNL1111111111 -0.0381 18 C 1.0756 1.3009 -2.4273 C.2 1 UNL1111111111 0.6513 19 C 0.6553 3.2266 0.3232 C.2 1 UNL1111111111 0.6608 20 C 3.7556 -0.9098 1.3275 C.2 1 UNL1111111111 0.6340 21 C -0.8205 -3.4982 -0.8546 C.2 1 UNL1111111111 0.6517 22 C 0.4853 0.9828 -3.7582 C.3 1 UNL1111111111 -0.5101 23 C 0.1666 4.4103 -0.4274 C.3 1 UNL1111111111 -0.5077 24 C -4.4737 0.6293 0.9062 C.2 1 UNL1111111111 0.6303 25 C 4.2662 -0.7743 2.7161 C.3 1 UNL1111111111 -0.5064 26 C -1.3833 -3.6205 -2.2284 C.3 1 UNL1111111111 -0.5107 27 C -5.5520 0.1241 0.0099 C.3 1 UNL1111111111 -0.5127 28 H 2.3244 0.9574 -0.2260 H 1 UNL1111111111 0.1816 29 H 0.6023 1.0303 1.6366 H 1 UNL1111111111 0.1756 30 H 2.3084 -1.6474 -0.6505 H 1 UNL1111111111 0.1838 31 H -1.2464 -0.2135 -0.5850 H 1 UNL1111111111 0.1718 32 H 0.6200 -2.8081 1.1735 H 1 UNL1111111111 0.1771 33 H -2.2189 -0.0335 2.2775 H 1 UNL1111111111 0.1619 34 H -2.1259 1.5730 1.4438 H 1 UNL1111111111 0.1605 35 H -0.5410 1.3786 -3.8254 H 1 UNL1111111111 0.1850 36 H 1.0746 1.4444 -4.5659 H 1 UNL1111111111 0.1858 37 H 0.4322 -0.1009 -3.9479 H 1 UNL1111111111 0.1861 38 H -0.9044 4.3512 -0.6707 H 1 UNL1111111111 0.1824 39 H 0.3493 5.3389 0.1340 H 1 UNL1111111111 0.1833 40 H 0.7143 4.4886 -1.3879 H 1 UNL1111111111 0.2046 41 H 4.4978 0.2832 2.9364 H 1 UNL1111111111 0.1941 42 H 5.1959 -1.3487 2.8512 H 1 UNL1111111111 0.1843 43 H 3.5401 -1.1115 3.4741 H 1 UNL1111111111 0.1902 44 H -0.7422 -3.1455 -2.9874 H 1 UNL1111111111 0.1858 45 H -1.5225 -4.6772 -2.5035 H 1 UNL1111111111 0.1833 46 H -2.3687 -3.1289 -2.2806 H 1 UNL1111111111 0.1854 47 H -5.4405 -0.9511 -0.2006 H 1 UNL1111111111 0.1857 48 H -6.5431 0.2841 0.4629 H 1 UNL1111111111 0.1847 49 H -5.5364 0.6477 -0.9583 H 1 UNL1111111111 0.1818 @BOND 1 1 15 1 2 1 16 1 3 2 12 1 4 2 18 1 5 3 13 1 6 3 19 1 7 4 14 1 8 4 20 1 9 5 16 1 10 5 21 1 11 6 17 1 12 6 24 1 13 7 18 2 14 8 19 2 15 9 20 2 16 10 21 2 17 11 24 2 18 12 13 1 19 12 14 1 20 12 28 1 21 13 15 1 22 13 29 1 23 14 16 1 24 14 30 1 25 15 17 1 26 15 31 1 27 16 32 1 28 17 33 1 29 17 34 1 30 18 22 1 31 19 23 1 32 20 25 1 33 21 26 1 34 22 35 1 35 22 36 1 36 22 37 1 37 23 38 1 38 23 39 1 39 23 40 1 40 24 27 1 41 25 41 1 42 25 42 1 43 25 43 1 44 26 44 1 45 26 45 1 46 26 46 1 47 27 47 1 48 27 48 1 49 27 49 1