@MOLECULE beta-d-fructofuranosyl beta-d-fructofuranosyl-(2->6)-alpha-d-glucopyranoside 49 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4954 0.3518 0.5961 O.3 1 UNL11111 -0.4259 2 O -1.2208 -1.4886 -0.0390 O.3 1 UNL11111 -0.3904 3 O -0.7642 1.0692 -0.6681 O.3 1 UNL11111 -0.3847 4 O 3.7919 0.0642 0.6289 O.3 1 UNL11111 -0.4106 5 O 1.5046 0.2079 0.2482 O.3 1 UNL11111 -0.3590 6 O -4.7147 -0.9350 0.2147 O.3 1 UNL11111 -0.1517 7 O -3.7311 -2.7707 -2.0843 O.3 1 UNL11111 -0.1945 8 O -0.6738 3.7799 -1.9028 O.3 1 UNL11111 -0.1823 9 O -3.0501 2.8169 0.0075 O.3 1 UNL11111 -0.1611 10 O -0.1026 3.8778 1.5510 O.3 1 UNL11111 -0.2427 11 O 1.1619 -2.3264 0.7557 O.3 1 UNL11111 -0.1323 12 O 3.7899 -3.1419 -0.7097 O.3 1 UNL11111 -0.1869 13 O -2.7739 -2.5529 2.5022 O.3 1 UNL11111 -0.2018 14 O 2.6267 -0.1878 3.5576 O.3 1 UNL11111 -0.2320 15 O 0.1539 -0.6477 -2.6018 O.3 1 UNL11111 -0.2797 16 O 4.2339 1.0905 -2.0886 O.3 1 UNL11111 -0.2417 17 C -2.3204 -1.0381 0.7077 C.3 1 UNL11111 0.3541 18 C -3.6018 -1.6232 0.0392 C.3 1 UNL11111 -0.0226 19 C 2.5021 -0.3105 1.0655 C.3 1 UNL11111 0.3113 20 C 0.3535 1.8903 -0.8696 C.3 1 UNL11111 0.0770 21 C -1.3699 1.1832 0.6054 C.3 1 UNL11111 0.3026 22 C -3.1434 -1.7658 -1.4566 C.3 1 UNL11111 -0.0135 23 C -0.0416 3.3873 -0.7946 C.3 1 UNL11111 -0.0434 24 C -1.9738 2.6171 0.7624 C.3 1 UNL11111 -0.0462 25 C -0.8734 3.6859 0.4878 C.3 1 UNL11111 -0.0282 26 C -1.6030 -1.8951 -1.3526 C.3 1 UNL11111 -0.0174 27 C 2.3953 -1.8555 0.7887 C.3 1 UNL11111 -0.0334 28 C 3.2186 -1.9607 -0.5536 C.3 1 UNL11111 -0.0203 29 C 4.2258 -0.7805 -0.4446 C.3 1 UNL11111 -0.0109 30 C 1.5094 1.6242 0.1097 C.3 1 UNL11111 -0.1147 31 C -2.0622 -1.4726 2.1657 C.3 1 UNL11111 -0.1564 32 C 2.3874 0.1437 2.4741 C.3 1 UNL11111 0.2282 33 C -0.8844 -1.1026 -2.3531 C.3 1 UNL11111 0.2619 34 C 4.3161 0.0127 -1.6686 C.3 1 UNL11111 0.2273 35 H -3.8398 -2.6503 0.4687 H 1 UNL11111 0.2297 36 H 0.6302 1.6039 -1.9184 H 1 UNL11111 0.1882 37 H -0.6538 0.9069 1.4031 H 1 UNL11111 0.1269 38 H -3.4641 -0.8348 -2.0184 H 1 UNL11111 0.2300 39 H 0.8945 4.0329 -0.7839 H 1 UNL11111 0.2050 40 H -2.3552 2.7261 1.8237 H 1 UNL11111 0.2040 41 H -1.3932 4.6910 0.3334 H 1 UNL11111 0.2221 42 H -1.2821 -2.9695 -1.4256 H 1 UNL11111 0.1817 43 H 2.9231 -2.4385 1.5990 H 1 UNL11111 0.2104 44 H 2.5076 -1.8474 -1.4300 H 1 UNL11111 0.2294 45 H 5.2393 -1.1340 -0.1266 H 1 UNL11111 0.1891 46 H 2.4764 1.9574 -0.3118 H 1 UNL11111 0.1546 47 H 1.3700 2.0908 1.1044 H 1 UNL11111 0.1515 48 H -2.2973 -0.6471 2.8856 H 1 UNL11111 0.1942 49 H -0.9750 -1.7153 2.3337 H 1 UNL11111 0.2051 @BOND 1 16 34 1 2 39 23 1 3 34 29 1 4 46 30 1 5 8 23 1 6 23 20 1 7 23 25 1 8 45 29 1 9 36 20 1 10 29 4 1 11 29 28 1 12 4 19 1 13 30 20 1 14 30 47 1 15 30 5 1 16 20 3 1 17 41 25 1 18 25 10 1 19 25 24 1 20 5 19 1 21 28 44 1 22 28 12 1 23 28 27 1 24 19 32 1 25 19 27 1 26 15 33 1 27 3 21 1 28 32 14 1 29 9 24 1 30 24 21 1 31 24 40 1 32 33 26 1 33 27 43 1 34 27 11 1 35 21 37 1 36 21 1 1 37 26 2 1 38 26 42 1 39 26 22 1 40 1 17 1 41 2 17 1 42 38 22 1 43 22 7 1 44 22 18 1 45 17 31 1 46 17 18 1 47 48 31 1 48 49 31 1 49 31 13 1 50 18 6 1 51 18 35 1