@MOLECULE beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-d-glucose 87 89 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -8.2826 1.4521 0.0209 C.3 1 UNL1 0.0654 2 C -8.7197 -0.0297 -0.0284 C.3 1 UNL1 0.0717 3 C -7.6448 -0.9306 0.6092 C.3 1 UNL1 0.0318 4 C -5.9180 0.6314 0.2008 C.3 1 UNL1 0.2727 5 C -6.8540 1.6298 -0.5179 C.3 1 UNL1 0.0289 6 C -3.5919 0.1042 0.1169 C.3 1 UNL1 0.0438 7 C -3.3329 -1.2434 -0.5780 C.3 1 UNL1 0.0992 8 C -1.8621 -1.7043 -0.4871 C.3 1 UNL1 0.0311 9 C -0.8505 -0.5466 -0.6351 C.3 1 UNL1 0.2729 10 C -2.4607 1.1093 -0.1854 C.3 1 UNL1 0.0225 11 C 1.5135 -0.3137 -0.2741 C.3 1 UNL1 0.0433 12 C 2.5784 -1.4368 -0.3740 C.3 1 UNL1 0.0417 13 C 4.2048 -0.1998 0.7982 C.3 1 UNL1 0.2706 14 C 3.2492 0.9873 1.0420 C.3 1 UNL1 0.0348 15 C 1.7705 0.5699 0.9593 C.3 1 UNL1 0.1016 16 C 6.5720 -0.3486 0.4287 C.3 1 UNL1 0.0461 17 C 7.3790 -0.2881 1.7504 C.3 1 UNL1 0.0938 18 C 6.7633 0.2488 -2.0814 C.3 1 UNL1 -0.0249 19 C 7.4013 0.3534 -0.6752 C.3 1 UNL1 0.0917 20 C 6.5308 -0.5415 3.0043 C.3 1 UNL1 -0.0625 21 C -7.8810 -2.4238 0.3252 C.3 1 UNL1 -0.0036 22 C 2.4542 -2.1903 -1.7052 C.3 1 UNL1 -0.0166 23 C -2.5485 2.3742 0.6829 C.3 1 UNL1 -0.0074 24 H -0.8713 -3.0624 -1.5396 H 1 UNL1 0.3308 25 H 6.9808 -0.3803 4.9330 H 1 UNL1 0.3202 26 H -8.9226 3.0520 -0.9445 H 1 UNL1 0.3388 27 H 1.0052 2.2810 1.5858 H 1 UNL1 0.3329 28 H 6.6715 2.1461 -0.3588 H 1 UNL1 0.3404 29 H 5.8551 1.8756 -2.7493 H 1 UNL1 0.3318 30 H 8.8702 -1.3980 2.4124 H 1 UNL1 0.3408 31 H 4.2909 1.8896 2.4623 H 1 UNL1 0.3339 32 H -5.5911 3.1496 -0.5140 H 1 UNL1 0.3355 33 H -10.5639 0.4238 0.4944 H 1 UNL1 0.3368 34 H -4.1436 -3.0336 -0.3632 H 1 UNL1 0.3334 35 H -5.9858 -2.7685 0.7617 H 1 UNL1 0.3421 36 H -0.7165 2.8731 0.1577 H 1 UNL1 0.3422 37 H 4.0201 -3.3823 -1.5928 H 1 UNL1 0.3187 38 O 7.6272 1.5435 -3.8717 O.2 1 UNL1 -0.4160 39 O -1.7175 -2.5720 -1.5932 O.3 1 UNL1 -0.5577 40 O 7.4145 -0.2240 4.0707 O.3 1 UNL1 -0.5571 41 O -9.1969 2.1150 -0.8274 O.3 1 UNL1 -0.5624 42 O 1.0366 1.7613 0.7533 O.3 1 UNL1 -0.5562 43 O 7.5607 1.7094 -0.3526 O.3 1 UNL1 -0.5281 44 O 5.6590 1.1190 -2.1391 O.3 1 UNL1 -0.5085 45 O 8.3220 -1.3337 1.5991 O.3 1 UNL1 -0.5735 46 O 3.4337 1.4165 2.3752 O.3 1 UNL1 -0.5586 47 O -6.4903 2.9480 -0.1698 O.3 1 UNL1 -0.5562 48 O -9.8618 -0.2031 0.7811 O.3 1 UNL1 -0.5474 49 O -4.0796 -2.1989 0.1529 O.3 1 UNL1 -0.5604 50 O -6.8638 -3.1889 0.9312 O.3 1 UNL1 -0.5553 51 O -1.6010 3.3091 0.2216 O.3 1 UNL1 -0.5480 52 O 3.0438 -3.4639 -1.5726 O.3 1 UNL1 -0.5358 53 O -4.7114 0.7220 -0.5039 O.3 1 UNL1 -0.4184 54 O 0.3256 -1.0652 -0.0691 O.3 1 UNL1 -0.4215 55 O 5.4253 0.4576 0.5994 O.3 1 UNL1 -0.4134 56 C 7.8144 0.6182 -3.1228 C.2 1 UNL1 0.2968 57 O -6.4043 -0.6784 -0.0295 O.3 1 UNL1 -0.4344 58 O -1.2325 0.5292 0.2039 O.3 1 UNL1 -0.4182 59 O 3.8748 -0.8705 -0.4082 O.3 1 UNL1 -0.4444 60 H 1.4605 0.3054 -1.1945 H 1 UNL1 0.1592 61 H 6.3214 -1.3920 0.1535 H 1 UNL1 0.1523 62 H -5.7864 0.8226 1.2853 H 1 UNL1 0.1259 63 H -8.3881 1.8771 1.0480 H 1 UNL1 0.1530 64 H -8.9667 -0.3330 -1.0716 H 1 UNL1 0.1509 65 H -7.5600 -0.7488 1.7038 H 1 UNL1 0.1507 66 H -6.8083 1.5095 -1.6229 H 1 UNL1 0.1601 67 H -3.7474 -0.0472 1.2069 H 1 UNL1 0.1600 68 H -3.6909 -1.2232 -1.6352 H 1 UNL1 0.1618 69 H -1.6847 -2.2663 0.4584 H 1 UNL1 0.1659 70 H -0.6978 -0.1971 -1.6752 H 1 UNL1 0.1277 71 H -2.4412 1.3807 -1.2661 H 1 UNL1 0.1514 72 H 2.4935 -2.1451 0.4830 H 1 UNL1 0.1542 73 H 4.2562 -0.9362 1.6240 H 1 UNL1 0.1197 74 H 3.4696 1.8251 0.3368 H 1 UNL1 0.1705 75 H 1.4203 0.0764 1.8942 H 1 UNL1 0.1568 76 H 7.9307 0.6789 1.8479 H 1 UNL1 0.1653 77 H 5.6523 0.1270 3.0583 H 1 UNL1 0.1348 78 H 6.2231 -1.5979 3.0889 H 1 UNL1 0.1283 79 H 6.3406 -0.7644 -2.2719 H 1 UNL1 0.1606 80 H 8.4444 -0.0502 -0.6634 H 1 UNL1 0.1633 81 H -8.8151 -2.7808 0.8011 H 1 UNL1 0.1581 82 H -7.8892 -2.6455 -0.7570 H 1 UNL1 0.1282 83 H 1.3955 -2.4099 -1.9463 H 1 UNL1 0.1503 84 H 2.9242 -1.6318 -2.5354 H 1 UNL1 0.1385 85 H 8.7305 0.0205 -3.1592 H 1 UNL1 0.1237 86 H -3.5177 2.8884 0.5662 H 1 UNL1 0.1455 87 H -2.3554 2.1560 1.7487 H 1 UNL1 0.1314 @BOND 1 38 56 2 2 85 56 1 3 56 18 1 4 29 44 1 5 84 22 1 6 79 18 1 7 44 18 1 8 18 19 1 9 83 22 1 10 22 52 1 11 22 12 1 12 70 9 1 13 68 7 1 14 66 5 1 15 39 24 1 16 39 8 1 17 37 52 1 18 71 10 1 19 60 11 1 20 64 2 1 21 26 41 1 22 41 1 1 23 82 21 1 24 19 80 1 25 19 43 1 26 19 16 1 27 9 8 1 28 9 54 1 29 9 58 1 30 7 8 1 31 7 6 1 32 7 49 1 33 5 47 1 34 5 1 1 35 5 4 1 36 32 47 1 37 53 6 1 38 53 4 1 39 8 69 1 40 59 12 1 41 59 13 1 42 12 11 1 43 12 72 1 44 34 49 1 45 28 43 1 46 11 54 1 47 11 15 1 48 10 6 1 49 10 58 1 50 10 23 1 51 57 4 1 52 57 3 1 53 2 1 1 54 2 3 1 55 2 48 1 56 1 63 1 57 6 67 1 58 61 16 1 59 36 51 1 60 4 62 1 61 51 23 1 62 21 3 1 63 21 81 1 64 21 50 1 65 74 14 1 66 16 55 1 67 16 17 1 68 33 48 1 69 86 23 1 70 55 13 1 71 3 65 1 72 23 87 1 73 42 15 1 74 42 27 1 75 35 50 1 76 13 14 1 77 13 73 1 78 15 14 1 79 15 75 1 80 14 46 1 81 45 17 1 82 45 30 1 83 17 76 1 84 17 20 1 85 46 31 1 86 20 77 1 87 20 78 1 88 20 40 1 89 40 25 1