@MOLECULE 3-o-alpha-d-glucopyranosyl-beta-d-fructofuranose 45 46 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.1177 -0.9559 1.0453 C.3 1 UNL1111111111 0.2633 2 O -0.1145 -0.6380 0.1030 O.3 1 UNL1111111111 -0.4275 3 C -2.0236 -1.9449 0.2724 C.3 1 UNL1111111111 0.0336 4 O -1.2601 -2.9937 -0.2645 O.3 1 UNL1111111111 -0.5392 5 C -2.7667 -1.2184 -0.8624 C.3 1 UNL1111111111 0.0488 6 O -3.8342 -2.0198 -1.3263 O.3 1 UNL1111111111 -0.5684 7 C -3.4443 0.0635 -0.3403 C.3 1 UNL1111111111 0.0782 8 O -3.9003 0.8443 -1.4226 O.3 1 UNL1111111111 -0.5505 9 C -2.3914 0.9381 0.3652 C.3 1 UNL1111111111 0.0464 10 O -1.8179 0.1889 1.4328 O.3 1 UNL1111111111 -0.4515 11 C -3.0144 2.1522 1.0623 C.3 1 UNL1111111111 -0.0148 12 O -1.9916 2.9979 1.5425 O.3 1 UNL1111111111 -0.5389 13 O 5.3032 -0.8968 -0.5731 O.3 1 UNL1111111111 -0.5289 14 O 2.0636 2.5156 -2.1499 O.3 1 UNL1111111111 -0.5256 15 O 1.9177 -0.4605 2.6648 O.3 1 UNL1111111111 -0.5546 16 O 1.6062 -0.1376 -1.6713 O.3 1 UNL1111111111 -0.5486 17 C 4.0463 -1.3708 -0.1439 C.3 1 UNL1111111111 -0.0473 18 C 1.3162 2.1748 -1.0042 C.3 1 UNL1111111111 -0.0679 19 O 3.0568 0.8095 -0.1767 O.3 1 UNL1111111111 -0.4650 20 C 2.0141 -0.7607 1.2917 C.3 1 UNL1111111111 0.0570 21 C 3.3535 -0.2847 0.6879 C.3 1 UNL1111111111 0.0228 22 C 0.9457 0.1289 0.6113 C.3 1 UNL1111111111 0.0412 23 C 1.7008 0.7436 -0.5985 C.3 1 UNL1111111111 0.4032 24 H -0.6967 -1.3426 1.9971 H 1 UNL1111111111 0.1587 25 H -2.7311 -2.4611 0.9617 H 1 UNL1111111111 0.1700 26 H -0.4734 -2.6317 -0.7417 H 1 UNL1111111111 0.3406 27 H -2.0933 -1.0037 -1.7240 H 1 UNL1111111111 0.1564 28 H -3.5134 -2.9297 -1.5141 H 1 UNL1111111111 0.3392 29 H -4.3119 -0.1767 0.3124 H 1 UNL1111111111 0.1450 30 H -4.4405 0.2844 -2.0267 H 1 UNL1111111111 0.3399 31 H -1.5900 1.2510 -0.3416 H 1 UNL1111111111 0.1593 32 H -3.5697 2.7843 0.3401 H 1 UNL1111111111 0.1655 33 H -3.6729 1.8626 1.8993 H 1 UNL1111111111 0.1276 34 H -1.4148 2.4999 2.1602 H 1 UNL1111111111 0.3197 35 H 5.1788 -0.0628 -1.0778 H 1 UNL1111111111 0.3216 36 H 3.0017 2.6809 -1.9042 H 1 UNL1111111111 0.3247 37 H 2.6608 -0.8473 3.1694 H 1 UNL1111111111 0.3253 38 H 1.8853 0.3110 -2.5090 H 1 UNL1111111111 0.3498 39 H 3.4418 -1.6564 -1.0269 H 1 UNL1111111111 0.1479 40 H 4.2947 -2.2683 0.4500 H 1 UNL1111111111 0.1437 41 H 1.4828 2.9028 -0.1922 H 1 UNL1111111111 0.1454 42 H 0.2630 2.2264 -1.3487 H 1 UNL1111111111 0.1714 43 H 1.8165 -1.8423 1.1499 H 1 UNL1111111111 0.1475 44 H 4.0391 0.1590 1.4422 H 1 UNL1111111111 0.1645 45 H 0.5720 0.9132 1.3081 H 1 UNL1111111111 0.1703 @BOND 1 1 3 1 2 1 10 1 3 1 24 1 4 2 1 1 5 2 22 1 6 3 25 1 7 4 3 1 8 4 26 1 9 5 3 1 10 5 7 1 11 5 6 1 12 5 27 1 13 6 28 1 14 7 29 1 15 8 7 1 16 8 30 1 17 9 7 1 18 9 11 1 19 9 10 1 20 9 31 1 21 11 12 1 22 11 32 1 23 11 33 1 24 12 34 1 25 13 17 1 26 13 35 1 27 14 18 1 28 14 36 1 29 15 37 1 30 16 23 1 31 16 38 1 32 17 21 1 33 17 39 1 34 17 40 1 35 18 41 1 36 18 42 1 37 19 21 1 38 19 23 1 39 20 15 1 40 20 22 1 41 20 43 1 42 21 20 1 43 21 44 1 44 22 45 1 45 23 18 1 46 23 22 1