@MOLECULE 4-o-beta-d-xylo-hexopyranosyl-3-ulose-d-glucose 43 43 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5918 0.1864 -0.7257 O.3 1 UNL1111111111 -0.4102 2 O 1.3313 -0.4313 0.2281 O.3 1 UNL1111111111 -0.4679 3 O 1.6105 0.5352 -2.3387 O.3 1 UNL1111111111 -0.4981 4 O 4.5657 1.0872 0.7122 O.3 1 UNL1111111111 -0.5248 5 O -3.6353 -0.5032 0.9498 O.3 1 UNL1111111111 -0.5537 6 O -0.6742 -2.6553 0.8300 O.3 1 UNL1111111111 -0.5743 7 O 3.0819 2.9415 -0.6123 O.2 1 UNL1111111111 -0.4046 8 O 2.2194 -2.1814 2.1216 O.3 1 UNL1111111111 -0.5404 9 O -2.1382 1.8585 1.5557 O.3 1 UNL1111111111 -0.5330 10 O -1.0422 -3.6340 -1.8180 O.3 1 UNL1111111111 -0.5662 11 O -5.0625 1.7362 -0.2260 O.2 1 UNL1111111111 -0.4411 12 C 0.5660 0.7082 -0.1401 C.3 1 UNL1111111111 0.2637 13 C -1.4242 -0.5310 0.1874 C.3 1 UNL1111111111 0.0658 14 C 2.5417 -0.1333 0.9026 C.3 1 UNL1111111111 0.0454 15 C 1.3465 1.4132 -1.2762 C.3 1 UNL1111111111 -0.0112 16 C 3.4712 0.6550 -0.0526 C.3 1 UNL1111111111 -0.0121 17 C -2.8117 0.1203 -0.0114 C.3 1 UNL1111111111 0.0740 18 C -1.4205 -2.0194 -0.1951 C.3 1 UNL1111111111 0.1123 19 C 2.6900 1.8075 -0.6625 C.2 1 UNL1111111111 0.3654 20 C 3.0953 -1.5295 1.2371 C.3 1 UNL1111111111 -0.0059 21 C -2.7436 1.6255 0.3077 C.3 1 UNL1111111111 -0.0139 22 C -0.7363 -2.2745 -1.5455 C.3 1 UNL1111111111 -0.0436 23 C -4.1324 2.2560 0.3369 C.2 1 UNL1111111111 0.3106 24 H 0.3339 1.3434 0.7402 H 1 UNL1111111111 0.1451 25 H -1.0797 -0.4259 1.2458 H 1 UNL1111111111 0.1786 26 H 2.3296 0.4409 1.8310 H 1 UNL1111111111 0.1545 27 H 0.8036 2.2665 -1.7344 H 1 UNL1111111111 0.1826 28 H 3.8970 0.0061 -0.8556 H 1 UNL1111111111 0.1737 29 H -3.2094 -0.0523 -1.0356 H 1 UNL1111111111 0.1500 30 H -2.4514 -2.4510 -0.1734 H 1 UNL1111111111 0.1598 31 H 4.0492 -1.4565 1.7965 H 1 UNL1111111111 0.1630 32 H 3.2307 -2.1477 0.3320 H 1 UNL1111111111 0.1230 33 H -2.0843 2.1640 -0.4169 H 1 UNL1111111111 0.1785 34 H 0.3586 -2.1502 -1.4702 H 1 UNL1111111111 0.1331 35 H -1.1410 -1.6364 -2.3496 H 1 UNL1111111111 0.1345 36 H 1.5544 -0.4001 -2.0187 H 1 UNL1111111111 0.3299 37 H 4.6522 2.0715 0.6796 H 1 UNL1111111111 0.3413 38 H -4.5841 -0.3660 0.7208 H 1 UNL1111111111 0.3416 39 H -0.5983 -3.6148 0.6284 H 1 UNL1111111111 0.3399 40 H -4.2364 3.1940 0.8935 H 1 UNL1111111111 0.1306 41 H 1.3136 -2.2355 1.7247 H 1 UNL1111111111 0.3447 42 H -2.4812 1.2102 2.2201 H 1 UNL1111111111 0.3386 43 H -0.6000 -3.9323 -2.6345 H 1 UNL1111111111 0.3212 @BOND 1 1 12 1 2 1 13 1 3 2 12 1 4 2 14 1 5 3 15 1 6 3 36 1 7 4 16 1 8 4 37 1 9 5 17 1 10 5 38 1 11 6 18 1 12 6 39 1 13 7 19 2 14 8 20 1 15 8 41 1 16 9 21 1 17 9 42 1 18 10 22 1 19 10 43 1 20 11 23 2 21 12 15 1 22 12 24 1 23 13 17 1 24 13 18 1 25 13 25 1 26 14 16 1 27 14 20 1 28 14 26 1 29 15 19 1 30 15 27 1 31 16 19 1 32 16 28 1 33 17 21 1 34 17 29 1 35 18 22 1 36 18 30 1 37 20 31 1 38 20 32 1 39 21 23 1 40 21 33 1 41 22 34 1 42 22 35 1 43 23 40 1