@MOLECULE beta-d-fructofuranosyl alpha-d-ribo-hexopyranosid-3-ulose 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.2229 -0.5264 1.0695 O.3 1 UNL1111111111 -0.4430 2 O -0.0165 1.0858 -0.0218 O.3 1 UNL1111111111 -0.5378 3 O 1.5903 0.1232 1.3741 O.3 1 UNL1111111111 -0.4410 4 O -1.7476 0.8542 -1.9039 O.3 1 UNL1111111111 -0.5351 5 O -4.2886 -0.2258 0.2118 O.3 1 UNL1111111111 -0.5566 6 O -1.6028 3.0616 1.2921 O.3 1 UNL1111111111 -0.5213 7 O 1.7477 2.9208 -0.9172 O.3 1 UNL1111111111 -0.4930 8 O -2.5275 -3.3346 -0.8207 O.3 1 UNL1111111111 -0.5237 9 O 2.5131 -1.8370 -1.5492 O.3 1 UNL1111111111 -0.5144 10 O 1.8378 0.6331 -2.4485 O.2 1 UNL1111111111 -0.4149 11 O 3.7127 -1.5215 1.9087 O.3 1 UNL1111111111 -0.5328 12 C -1.2570 0.7894 0.5576 C.3 1 UNL1111111111 0.3801 13 C -2.2852 0.8488 -0.6085 C.3 1 UNL1111111111 0.0482 14 C -3.0758 -0.4730 -0.4658 C.3 1 UNL1111111111 0.0758 15 C -2.2436 -1.3387 0.4955 C.3 1 UNL1111111111 0.0418 16 C 1.1400 1.2771 0.7507 C.3 1 UNL1111111111 0.3169 17 C -1.5967 1.7245 1.7294 C.3 1 UNL1111111111 -0.0799 18 C -1.5541 -2.5021 -0.2333 C.3 1 UNL1111111111 -0.0416 19 C 2.1622 1.7224 -0.3410 C.3 1 UNL1111111111 -0.0230 20 C 1.7616 -1.0339 0.5625 C.3 1 UNL1111111111 0.0440 21 C 2.6495 -0.7483 -0.6745 C.3 1 UNL1111111111 -0.0063 22 C 2.2106 0.5562 -1.3078 C.2 1 UNL1111111111 0.3699 23 C 2.4568 -2.0235 1.5099 C.3 1 UNL1111111111 -0.0182 24 H -2.9287 1.7549 -0.5422 H 1 UNL1111111111 0.1747 25 H -3.2709 -0.9599 -1.4460 H 1 UNL1111111111 0.1733 26 H -2.8501 -1.6827 1.3636 H 1 UNL1111111111 0.1629 27 H 0.9928 1.9956 1.5819 H 1 UNL1111111111 0.1540 28 H -0.9034 1.6037 2.5791 H 1 UNL1111111111 0.1419 29 H -2.6329 1.5529 2.0901 H 1 UNL1111111111 0.1750 30 H 3.1539 1.9613 0.1096 H 1 UNL1111111111 0.1875 31 H -0.9129 -3.0880 0.4478 H 1 UNL1111111111 0.1288 32 H -0.9592 -2.1598 -1.1021 H 1 UNL1111111111 0.1587 33 H 0.7569 -1.3958 0.2501 H 1 UNL1111111111 0.1623 34 H 3.7374 -0.7453 -0.4076 H 1 UNL1111111111 0.1958 35 H -0.7737 0.9793 -1.9001 H 1 UNL1111111111 0.3405 36 H -4.9583 0.1470 -0.3977 H 1 UNL1111111111 0.3284 37 H 2.7047 -2.9684 0.9852 H 1 UNL1111111111 0.1650 38 H 1.8413 -2.2298 2.4037 H 1 UNL1111111111 0.1313 39 H -0.7924 3.2579 0.7703 H 1 UNL1111111111 0.3216 40 H 1.0794 2.7512 -1.6277 H 1 UNL1111111111 0.3369 41 H -3.0984 -3.7432 -0.1377 H 1 UNL1111111111 0.3124 42 H 1.9037 -1.6178 -2.2955 H 1 UNL1111111111 0.3349 43 H 3.5927 -0.6794 2.3981 H 1 UNL1111111111 0.3200 @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 35 1 9 5 14 1 10 5 36 1 11 6 17 1 12 6 39 1 13 7 19 1 14 7 40 1 15 8 18 1 16 8 41 1 17 9 21 1 18 9 42 1 19 10 22 2 20 11 23 1 21 11 43 1 22 12 13 1 23 12 17 1 24 13 14 1 25 13 24 1 26 14 15 1 27 14 25 1 28 15 18 1 29 15 26 1 30 16 19 1 31 16 27 1 32 17 28 1 33 17 29 1 34 18 31 1 35 18 32 1 36 19 22 1 37 19 30 1 38 20 21 1 39 20 23 1 40 20 33 1 41 21 22 1 42 21 34 1 43 23 37 1 44 23 38 1