@MOLECULE beta-d-fructofuranosyl d-glucopyranoside 45 46 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.8177 0.5114 -0.7053 O.3 1 UNL1111111111 -0.4319 2 O -0.6196 -1.3606 -0.0025 O.3 1 UNL1111111111 -0.4300 3 O 0.6877 0.4003 0.4255 O.3 1 UNL1111111111 -0.4738 4 O -4.0786 -1.4035 0.1595 O.3 1 UNL1111111111 -0.5436 5 O -1.7532 0.1852 2.4025 O.3 1 UNL1111111111 -0.5420 6 O 1.6785 -2.1584 1.1516 O.3 1 UNL1111111111 -0.5184 7 O 4.1044 -1.8216 -0.2290 O.3 1 UNL1111111111 -0.5166 8 O 3.3174 -0.0924 1.6580 O.3 1 UNL1111111111 -0.5737 9 O -1.3879 -1.0060 -2.8577 O.3 1 UNL1111111111 -0.5324 10 O -1.4555 3.3182 -0.2646 O.3 1 UNL1111111111 -0.5490 11 O 2.7983 2.8865 -1.1337 O.3 1 UNL1111111111 -0.5345 12 C -1.8572 -0.8804 -0.4921 C.3 1 UNL1111111111 0.3658 13 C -2.8053 -1.1664 0.7049 C.3 1 UNL1111111111 0.0287 14 C -2.7846 0.1890 1.4591 C.3 1 UNL1111111111 0.0707 15 C -2.5169 1.2116 0.3307 C.3 1 UNL1111111111 0.0134 16 C 0.5396 -0.7207 -0.4479 C.3 1 UNL1111111111 0.2846 17 C 1.6903 -1.7196 -0.1748 C.3 1 UNL1111111111 0.0440 18 C 3.0136 -0.9886 -0.4984 C.3 1 UNL1111111111 0.0707 19 C 3.1279 0.3239 0.3136 C.3 1 UNL1111111111 0.0507 20 C 1.8458 1.1693 0.2260 C.3 1 UNL1111111111 0.0321 21 C -2.1955 -1.5394 -1.8338 C.3 1 UNL1111111111 -0.0432 22 C -1.6529 2.3876 0.7777 C.3 1 UNL1111111111 -0.0215 23 C 1.7459 1.9487 -1.1007 C.3 1 UNL1111111111 -0.0604 24 H -2.4644 -2.0160 1.3307 H 1 UNL1111111111 0.1689 25 H -3.6973 0.3941 2.0478 H 1 UNL1111111111 0.1596 26 H -3.4647 1.5496 -0.1432 H 1 UNL1111111111 0.1401 27 H 0.4551 -0.3751 -1.4975 H 1 UNL1111111111 0.1383 28 H 1.5660 -2.6592 -0.7577 H 1 UNL1111111111 0.1709 29 H 3.1154 -0.7830 -1.5894 H 1 UNL1111111111 0.1552 30 H 4.0239 0.9090 -0.0005 H 1 UNL1111111111 0.1604 31 H 1.7922 1.8754 1.0922 H 1 UNL1111111111 0.1499 32 H -3.2624 -1.3983 -2.0893 H 1 UNL1111111111 0.1473 33 H -1.9448 -2.6176 -1.8291 H 1 UNL1111111111 0.1654 34 H -0.6179 2.0769 1.0267 H 1 UNL1111111111 0.1734 35 H -2.0993 2.9086 1.6449 H 1 UNL1111111111 0.1336 36 H 0.7567 2.4393 -1.1956 H 1 UNL1111111111 0.1571 37 H 1.9259 1.3185 -1.9898 H 1 UNL1111111111 0.1459 38 H -4.6677 -1.8039 0.8286 H 1 UNL1111111111 0.3284 39 H -0.8917 -0.0631 1.9682 H 1 UNL1111111111 0.3558 40 H 1.9620 -1.4184 1.7457 H 1 UNL1111111111 0.3395 41 H 4.0689 -2.1238 0.7130 H 1 UNL1111111111 0.3393 42 H 3.3790 0.6729 2.2619 H 1 UNL1111111111 0.3283 43 H -1.5512 -0.0396 -2.9427 H 1 UNL1111111111 0.3233 44 H -2.2760 3.4654 -0.7717 H 1 UNL1111111111 0.3130 45 H 2.5360 3.7126 -0.6793 H 1 UNL1111111111 0.3167 @BOND 1 1 12 1 2 1 15 1 3 2 12 1 4 2 16 1 5 3 16 1 6 3 20 1 7 4 13 1 8 4 38 1 9 5 14 1 10 5 39 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 43 1 19 10 22 1 20 10 44 1 21 11 23 1 22 11 45 1 23 12 13 1 24 12 21 1 25 13 14 1 26 13 24 1 27 14 15 1 28 14 25 1 29 15 22 1 30 15 26 1 31 16 17 1 32 16 27 1 33 17 18 1 34 17 28 1 35 18 19 1 36 18 29 1 37 19 20 1 38 19 30 1 39 20 23 1 40 20 31 1 41 21 32 1 42 21 33 1 43 22 34 1 44 22 35 1 45 23 36 1 46 23 37 1