@MOLECULE beta-l-fructofuranosyl beta-d-gulopyranoside 45 46 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4702 0.7924 0.6288 O.3 1 UNL1111111111 -0.4221 2 O -0.4930 -1.1823 -0.1252 O.3 1 UNL1111111111 -0.5274 3 O 1.0332 0.3989 0.3927 O.3 1 UNL1111111111 -0.4431 4 O -2.7772 -2.2199 -0.7797 O.3 1 UNL1111111111 -0.4996 5 O -4.2593 0.6258 -1.3497 O.3 1 UNL1111111111 -0.5206 6 O 1.6671 -2.9437 -0.8754 O.3 1 UNL1111111111 -0.5546 7 O 3.6477 -1.7513 0.5135 O.3 1 UNL1111111111 -0.5606 8 O 2.9589 1.0490 -1.5783 O.3 1 UNL1111111111 -0.5441 9 O -2.6703 -0.7339 2.7437 O.3 1 UNL1111111111 -0.5161 10 O -0.3225 2.9492 -1.0755 O.3 1 UNL1111111111 -0.5420 11 O 1.2343 2.5274 1.9398 O.3 1 UNL1111111111 -0.5403 12 C -1.5309 -0.6106 0.6409 C.3 1 UNL1111111111 0.3651 13 C -2.8237 -0.9762 -0.1533 C.3 1 UNL1111111111 0.0502 14 C -2.9449 0.1901 -1.1655 C.3 1 UNL1111111111 0.0600 15 C -2.0744 1.3175 -0.5567 C.3 1 UNL1111111111 0.0073 16 C 0.8391 -0.9950 0.2849 C.3 1 UNL1111111111 0.3022 17 C 1.6875 -1.5317 -0.8912 C.3 1 UNL1111111111 0.0281 18 C 3.1639 -1.1454 -0.6660 C.3 1 UNL1111111111 0.0875 19 C 3.2951 0.3749 -0.3919 C.3 1 UNL1111111111 0.0765 20 C 2.3608 0.7584 0.7673 C.3 1 UNL1111111111 0.0091 21 C -1.4605 -1.0607 2.1059 C.3 1 UNL1111111111 -0.0607 22 C -0.9837 1.7870 -1.5214 C.3 1 UNL1111111111 -0.0354 23 C 2.2392 2.2789 0.9809 C.3 1 UNL1111111111 -0.0150 24 H -3.7084 -1.0563 0.5209 H 1 UNL1111111111 0.1807 25 H -2.6428 -0.1111 -2.1899 H 1 UNL1111111111 0.1709 26 H -2.6857 2.1679 -0.1846 H 1 UNL1111111111 0.1537 27 H 1.0259 -1.5015 1.2528 H 1 UNL1111111111 0.1321 28 H 1.3106 -1.1674 -1.8705 H 1 UNL1111111111 0.1516 29 H 3.7960 -1.4657 -1.5222 H 1 UNL1111111111 0.1510 30 H 4.3541 0.6541 -0.1976 H 1 UNL1111111111 0.1668 31 H 2.6441 0.2378 1.7091 H 1 UNL1111111111 0.1598 32 H -0.6033 -0.6041 2.6379 H 1 UNL1111111111 0.1452 33 H -1.4047 -2.1682 2.1740 H 1 UNL1111111111 0.1690 34 H -1.3937 2.0014 -2.5284 H 1 UNL1111111111 0.1345 35 H -0.1629 1.0446 -1.5909 H 1 UNL1111111111 0.1591 36 H 1.9832 2.8105 0.0432 H 1 UNL1111111111 0.1463 37 H 3.1551 2.7065 1.4253 H 1 UNL1111111111 0.1480 38 H -1.8734 -2.4070 -1.1213 H 1 UNL1111111111 0.3221 39 H -4.7409 0.7066 -0.4987 H 1 UNL1111111111 0.3163 40 H 0.7419 -3.2667 -0.9364 H 1 UNL1111111111 0.3331 41 H 3.4698 -2.7197 0.4835 H 1 UNL1111111111 0.3434 42 H 2.0022 1.2935 -1.5692 H 1 UNL1111111111 0.3366 43 H -2.7305 0.2359 2.8857 H 1 UNL1111111111 0.3212 44 H -0.9456 3.5905 -0.6799 H 1 UNL1111111111 0.3173 45 H 0.3832 2.1541 1.6030 H 1 UNL1111111111 0.3368 @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