@MOLECULE 1,6-anhydro-2,3,4-tri-o-acetyl-b-glucopyranose 36 37 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1380 2.1978 -0.5228 O.3 1 UNL1111111111 -0.3790 2 O -0.0782 2.1444 1.7498 O.3 1 UNL1111111111 -0.4163 3 O 2.4099 -0.2948 0.1260 O.3 1 UNL1111111111 -0.4526 4 O -0.0897 -1.7197 -0.0546 O.3 1 UNL1111111111 -0.4208 5 O -1.8517 0.0564 -0.6417 O.3 1 UNL1111111111 -0.4095 6 O 3.4387 0.2716 -1.7884 O.2 1 UNL1111111111 -0.4985 7 O -1.2032 -2.4085 1.7726 O.2 1 UNL1111111111 -0.5065 8 O -3.7009 1.1241 0.0608 O.2 1 UNL1111111111 -0.5064 9 C 1.1740 1.7472 -0.1927 C.3 1 UNL1111111111 0.0284 10 C 1.1737 0.2135 -0.3697 C.3 1 UNL1111111111 0.0628 11 C 0.1178 -0.4437 0.5432 C.3 1 UNL1111111111 0.0854 12 C -1.2013 0.3573 0.5879 C.3 1 UNL1111111111 0.0017 13 C -0.9042 1.8777 0.6260 C.3 1 UNL1111111111 0.2643 14 C 1.2825 2.1430 1.2956 C.3 1 UNL1111111111 -0.0756 15 C 3.4869 -0.2506 -0.7074 C.2 1 UNL1111111111 0.6339 16 C -0.7923 -2.6356 0.6653 C.2 1 UNL1111111111 0.6312 17 C -3.1318 0.4949 -0.7916 C.2 1 UNL1111111111 0.6266 18 C 4.6440 -0.9120 -0.0454 C.3 1 UNL1111111111 -0.5081 19 C -0.9297 -3.8849 -0.1336 C.3 1 UNL1111111111 -0.5088 20 C -3.6345 0.0763 -2.1284 C.3 1 UNL1111111111 -0.5071 21 H 1.8638 2.2617 -0.8832 H 1 UNL1111111111 0.1747 22 H 1.0297 -0.0771 -1.4354 H 1 UNL1111111111 0.1780 23 H 0.5114 -0.5885 1.5800 H 1 UNL1111111111 0.1722 24 H -1.8439 0.0374 1.4397 H 1 UNL1111111111 0.1807 25 H -1.7825 2.5442 0.6601 H 1 UNL1111111111 0.1795 26 H 1.8286 1.4263 1.9251 H 1 UNL1111111111 0.1497 27 H 1.6629 3.1644 1.4477 H 1 UNL1111111111 0.1453 28 H 4.4519 -1.9858 0.1135 H 1 UNL1111111111 0.1880 29 H 4.8530 -0.4770 0.9448 H 1 UNL1111111111 0.1871 30 H 5.5538 -0.8183 -0.6591 H 1 UNL1111111111 0.1843 31 H 0.0515 -4.3462 -0.3275 H 1 UNL1111111111 0.1848 32 H -1.3883 -3.6871 -1.1156 H 1 UNL1111111111 0.1866 33 H -1.5541 -4.6217 0.3954 H 1 UNL1111111111 0.1850 34 H -3.5417 -1.0103 -2.2775 H 1 UNL1111111111 0.1829 35 H -3.0592 0.5591 -2.9366 H 1 UNL1111111111 0.1910 36 H -4.6933 0.3521 -2.2537 H 1 UNL1111111111 0.1854 @BOND 1 1 9 1 2 1 13 1 3 2 13 1 4 2 14 1 5 3 10 1 6 3 15 1 7 4 11 1 8 4 16 1 9 5 12 1 10 5 17 1 11 6 15 2 12 7 16 2 13 8 17 2 14 9 10 1 15 9 14 1 16 9 21 1 17 10 11 1 18 10 22 1 19 11 12 1 20 11 23 1 21 12 13 1 22 12 24 1 23 13 25 1 24 14 26 1 25 14 27 1 26 15 18 1 27 16 19 1 28 17 20 1 29 18 28 1 30 18 29 1 31 18 30 1 32 19 31 1 33 19 32 1 34 19 33 1 35 20 34 1 36 20 35 1 37 20 36 1