@MOLECULE beta-d-fructofuranosyl alpha-d-lyxopyranoside 41 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9207 0.0398 1.1052 O.3 1 UNL1111111111 -0.4266 2 O -0.0640 0.5294 -0.1754 O.3 1 UNL1111111111 -0.5129 3 O 1.0173 -1.0379 1.0975 O.3 1 UNL1111111111 -0.4183 4 O -1.4533 0.3806 -2.2882 O.3 1 UNL1111111111 -0.5082 5 O -4.5243 0.1355 -0.7210 O.3 1 UNL1111111111 -0.5244 6 O 3.0389 0.9855 1.5544 O.3 1 UNL1111111111 -0.5436 7 O -0.2795 3.0563 0.3723 O.3 1 UNL1111111111 -0.5264 8 O 4.0510 0.9087 -0.9579 O.3 1 UNL1111111111 -0.5436 9 O 3.3404 -1.8382 -1.5300 O.3 1 UNL1111111111 -0.5542 10 O -1.1928 -2.5380 1.4736 O.3 1 UNL1111111111 -0.5396 11 C -1.3795 0.9043 0.1382 C.3 1 UNL1111111111 0.3400 12 C -2.2093 0.7344 -1.1697 C.3 1 UNL1111111111 0.0387 13 C -3.2297 -0.3874 -0.8268 C.3 1 UNL1111111111 0.0495 14 C -2.7407 -0.9665 0.5118 C.3 1 UNL1111111111 0.0090 15 C 0.8235 0.3315 0.9122 C.3 1 UNL1111111111 0.3077 16 C 2.1136 1.0748 0.4908 C.3 1 UNL1111111111 0.0235 17 C -1.4035 2.3116 0.7712 C.3 1 UNL1111111111 -0.0681 18 C 2.7892 0.3542 -0.6862 C.3 1 UNL1111111111 0.0769 19 C 2.9533 -1.1434 -0.3626 C.3 1 UNL1111111111 0.0705 20 C -1.9369 -2.2619 0.3175 C.3 1 UNL1111111111 -0.0321 21 C 1.5941 -1.7490 0.0134 C.3 1 UNL1111111111 -0.0542 22 H -2.7205 1.6680 -1.4904 H 1 UNL1111111111 0.1680 23 H -3.3278 -1.1270 -1.6507 H 1 UNL1111111111 0.1784 24 H -3.5477 -1.1014 1.2643 H 1 UNL1111111111 0.1675 25 H 0.4052 0.6540 1.8891 H 1 UNL1111111111 0.1552 26 H 1.9047 2.1422 0.2568 H 1 UNL1111111111 0.1603 27 H -1.3162 2.2689 1.8759 H 1 UNL1111111111 0.1661 28 H -2.3216 2.8659 0.5098 H 1 UNL1111111111 0.1349 29 H 2.2281 0.5108 -1.6373 H 1 UNL1111111111 0.1653 30 H 3.7205 -1.3100 0.4249 H 1 UNL1111111111 0.1513 31 H -1.2656 -2.2067 -0.5581 H 1 UNL1111111111 0.1179 32 H -2.6095 -3.1356 0.2144 H 1 UNL1111111111 0.1475 33 H 1.6925 -2.7737 0.4235 H 1 UNL1111111111 0.1667 34 H 0.9023 -1.7614 -0.8458 H 1 UNL1111111111 0.1370 35 H -0.6803 -0.1771 -2.0343 H 1 UNL1111111111 0.3330 36 H -4.6102 0.7377 0.0475 H 1 UNL1111111111 0.3153 37 H 2.8255 1.6347 2.2580 H 1 UNL1111111111 0.3278 38 H -0.1566 2.9951 -0.6031 H 1 UNL1111111111 0.3275 39 H 4.5571 1.0278 -0.1206 H 1 UNL1111111111 0.3355 40 H 4.0921 -1.3675 -1.9568 H 1 UNL1111111111 0.3368 41 H -0.4343 -1.9091 1.5291 H 1 UNL1111111111 0.3444 @BOND 1 1 11 1 2 1 14 1 3 2 11 1 4 2 15 1 5 3 15 1 6 3 21 1 7 4 12 1 8 4 35 1 9 5 13 1 10 5 36 1 11 6 16 1 12 6 37 1 13 7 17 1 14 7 38 1 15 8 18 1 16 8 39 1 17 9 19 1 18 9 40 1 19 10 20 1 20 10 41 1 21 11 12 1 22 11 17 1 23 12 13 1 24 12 22 1 25 13 14 1 26 13 23 1 27 14 20 1 28 14 24 1 29 15 16 1 30 15 25 1 31 16 18 1 32 16 26 1 33 17 27 1 34 17 28 1 35 18 19 1 36 18 29 1 37 19 21 1 38 19 30 1 39 20 31 1 40 20 32 1 41 21 33 1 42 21 34 1