@MOLECULE beta-d-fructofuranosyl-(2->1)-beta-d-fructofuranosyl-(2->1)-beta-d-fructofuranosyl alpha-d-glucopyranoside 87 90 0 0 0 SMALL USER_CHARGES @ATOM 1 O 1.0820 -1.8478 -0.2640 O.3 1 UNL11111111 -0.3939 2 O 2.6906 -2.0743 -1.8684 O.3 1 UNL11111111 -0.4554 3 O -1.6827 -2.2515 0.7279 O.3 1 UNL11111111 -0.4305 4 O -2.0318 -0.1641 -0.1573 O.3 1 UNL11111111 -0.4905 5 O 1.8991 0.8975 -0.0993 O.3 1 UNL11111111 -0.3978 6 O 3.0500 2.7304 -0.9152 O.3 1 UNL11111111 -0.4460 7 O -0.6816 0.9346 1.6715 O.3 1 UNL11111111 -0.5751 8 O -4.2036 -0.8008 -0.5826 O.3 1 UNL11111111 -0.4192 9 O 2.7010 -1.7107 1.6107 O.3 1 UNL11111111 -0.5306 10 O 0.2583 -1.8747 3.3388 O.3 1 UNL11111111 -0.5485 11 O 5.3454 -2.8770 -0.1271 O.3 1 UNL11111111 -0.5410 12 O 1.7157 2.0461 2.1702 O.3 1 UNL11111111 -0.5552 13 O 3.0607 5.0396 1.2500 O.3 1 UNL11111111 -0.5322 14 O -1.6825 0.7718 -2.5816 O.3 1 UNL11111111 -0.5741 15 O -3.8913 2.6784 -2.5901 O.3 1 UNL11111111 -0.5674 16 O -4.1409 -2.6759 1.7186 O.3 1 UNL11111111 -0.5449 17 O 1.7293 -4.6153 -2.6285 O.3 1 UNL11111111 -0.5317 18 O -4.7673 2.6441 0.3999 O.3 1 UNL11111111 -0.5415 19 O -0.4880 2.2426 -0.6721 O.3 1 UNL11111111 -0.6093 20 O 5.9864 2.0354 -0.5201 O.3 1 UNL11111111 -0.5444 21 O -6.9874 0.0237 -0.4255 O.3 1 UNL11111111 -0.5388 22 C 2.2757 -1.3090 -0.7425 C.3 1 UNL11111111 0.3942 23 C -1.0552 -1.0788 0.2811 C.3 1 UNL11111111 0.3794 24 C 3.3376 -1.6025 0.3675 C.3 1 UNL11111111 0.0564 25 C -0.3345 -0.4155 1.4839 C.3 1 UNL11111111 0.0427 26 C -0.8107 -1.2225 2.7110 C.3 1 UNL11111111 0.0834 27 C 3.9496 -2.9634 -0.0539 C.3 1 UNL11111111 0.0578 28 C -0.1349 -1.4960 -0.8851 C.3 1 UNL11111111 -0.1047 29 C -1.7934 -2.2759 2.1494 C.3 1 UNL11111111 0.0273 30 C 3.3199 -3.2768 -1.4256 C.3 1 UNL11111111 0.0209 31 C 2.2550 0.1394 -1.2463 C.3 1 UNL11111111 -0.1124 32 C 1.8609 2.2848 -0.2936 C.3 1 UNL11111111 0.3334 33 C 1.8026 2.9536 1.1196 C.3 1 UNL11111111 0.0650 34 C -2.9369 -0.6095 -1.1371 C.3 1 UNL11111111 0.3068 35 C 3.1830 3.6447 1.2670 C.3 1 UNL11111111 0.0738 36 C 4.0037 3.1517 0.0578 C.3 1 UNL11111111 0.0494 37 C -3.0218 0.5451 -2.1587 C.3 1 UNL11111111 0.0430 38 C -3.5523 1.8314 -1.5102 C.3 1 UNL11111111 0.0461 39 C -3.2444 -1.9738 2.5456 C.3 1 UNL11111111 -0.0372 40 C 2.2653 -4.3875 -1.3435 C.3 1 UNL11111111 -0.0426 41 C -4.7344 1.6073 -0.5559 C.3 1 UNL11111111 0.0538 42 C -4.6875 0.2716 0.2136 C.3 1 UNL11111111 0.0457 43 C 0.7161 2.7117 -1.2328 C.3 1 UNL11111111 -0.0431 44 C 4.9345 1.9945 0.4301 C.3 1 UNL11111111 -0.0406 45 C -6.0849 -0.2157 0.6376 C.3 1 UNL11111111 -0.0222 46 H 0.7840 -0.4576 1.3788 H 1 UNL11111111 0.1977 47 H 4.0983 -0.7936 0.4037 H 1 UNL11111111 0.1436 48 H -1.2334 -0.5762 3.5089 H 1 UNL11111111 0.1721 49 H 3.7868 -3.7528 0.7111 H 1 UNL11111111 0.1740 50 H -0.0475 -0.6921 -1.6346 H 1 UNL11111111 0.1584 51 H -0.4912 -2.4192 -1.3821 H 1 UNL11111111 0.1595 52 H -1.5005 -3.3167 2.4090 H 1 UNL11111111 0.1679 53 H 4.0688 -3.4872 -2.2194 H 1 UNL11111111 0.1640 54 H 1.5226 0.2864 -2.0592 H 1 UNL11111111 0.1434 55 H 3.2513 0.4513 -1.6207 H 1 UNL11111111 0.1694 56 H 0.9609 3.6784 1.1893 H 1 UNL11111111 0.1506 57 H -2.6882 -1.6025 -1.5643 H 1 UNL11111111 0.1580 58 H 3.6389 3.4458 2.2621 H 1 UNL11111111 0.1794 59 H 4.5638 3.9610 -0.4619 H 1 UNL11111111 0.1751 60 H -3.6293 0.2466 -3.0394 H 1 UNL11111111 0.1582 61 H -2.7297 2.3995 -0.9981 H 1 UNL11111111 0.1819 62 H -3.4689 -2.3497 3.5607 H 1 UNL11111111 0.1447 63 H -3.4702 -0.8925 2.4876 H 1 UNL11111111 0.1207 64 H 1.4436 -4.1326 -0.6453 H 1 UNL11111111 0.1517 65 H 2.7095 -5.3604 -1.0635 H 1 UNL11111111 0.1455 66 H -5.7085 1.7358 -1.0912 H 1 UNL11111111 0.1771 67 H -4.0179 0.3665 1.1038 H 1 UNL11111111 0.1527 68 H 0.6147 3.8137 -1.2638 H 1 UNL11111111 0.1489 69 H 0.8568 2.3382 -2.2594 H 1 UNL11111111 0.1337 70 H -0.6330 1.4228 0.7992 H 1 UNL11111111 0.3685 71 H 3.3479 -1.5776 2.3407 H 1 UNL11111111 0.3322 72 H 0.9141 -2.1908 2.6718 H 1 UNL11111111 0.3406 73 H 5.6359 -2.2745 -0.8438 H 1 UNL11111111 0.3209 74 H 4.4224 1.0187 0.3212 H 1 UNL11111111 0.1423 75 H 5.3334 2.0946 1.4536 H 1 UNL11111111 0.1232 76 H 0.8378 1.5743 2.1327 H 1 UNL11111111 0.3651 77 H -6.0863 -1.3203 0.7795 H 1 UNL11111111 0.1678 78 H -6.4108 0.2808 1.5649 H 1 UNL11111111 0.1268 79 H 2.6895 5.3598 0.4014 H 1 UNL11111111 0.3159 80 H -1.6868 1.4868 -3.2616 H 1 UNL11111111 0.3471 81 H -4.8599 2.7496 -2.7096 H 1 UNL11111111 0.3297 82 H -3.9925 -2.3996 0.7810 H 1 UNL11111111 0.3402 83 H 1.3641 -3.7711 -2.9752 H 1 UNL11111111 0.3213 84 H -3.9063 2.7124 0.8695 H 1 UNL11111111 0.3237 85 H -0.9072 1.5363 -1.2380 H 1 UNL11111111 0.3733 86 H 6.8169 1.7042 -0.1296 H 1 UNL11111111 0.3117 87 H -7.7395 0.5682 -0.1227 H 1 UNL11111111 0.3130 @BOND 1 80 14 1 2 60 37 1 3 83 17 1 4 81 15 1 5 17 40 1 6 15 38 1 7 14 37 1 8 69 43 1 9 53 30 1 10 37 38 1 11 37 34 1 12 54 31 1 13 2 30 1 14 2 22 1 15 50 28 1 16 55 31 1 17 57 34 1 18 38 61 1 19 38 41 1 20 30 40 1 21 30 27 1 22 51 28 1 23 40 65 1 24 40 64 1 25 68 43 1 26 31 22 1 27 31 5 1 28 85 19 1 29 43 19 1 30 43 32 1 31 34 8 1 32 34 4 1 33 66 41 1 34 6 32 1 35 6 36 1 36 28 1 1 37 28 23 1 38 73 11 1 39 22 1 1 40 22 24 1 41 8 42 1 42 41 42 1 43 41 18 1 44 20 86 1 45 20 44 1 46 59 36 1 47 21 87 1 48 21 45 1 49 32 5 1 50 32 33 1 51 4 23 1 52 11 27 1 53 27 24 1 54 27 49 1 55 36 44 1 56 36 35 1 57 42 45 1 58 42 67 1 59 23 3 1 60 23 25 1 61 74 44 1 62 24 47 1 63 24 9 1 64 18 84 1 65 79 13 1 66 44 75 1 67 45 77 1 68 45 78 1 69 3 29 1 70 82 16 1 71 70 7 1 72 33 56 1 73 33 35 1 74 33 12 1 75 13 35 1 76 35 58 1 77 46 25 1 78 25 7 1 79 25 26 1 80 9 71 1 81 16 39 1 82 76 12 1 83 29 52 1 84 29 39 1 85 29 26 1 86 63 39 1 87 39 62 1 88 72 10 1 89 26 10 1 90 26 48 1