@MOLECULE beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranose 108 112 0 0 0 SMALL GASTEIGER @ATOM 1 O 9.2725 -2.9453 0.3189 O.3 1 UNL1111111111 -0.5476 2 C 9.5386 -1.7093 -0.3088 C.3 1 UNL1111111111 0.0691 3 C 10.9832 -1.2994 0.0458 C.3 1 UNL1111111111 0.0452 4 O 11.7468 -1.8888 -0.9855 O.3 1 UNL1111111111 -0.5538 5 C 11.2322 0.2212 0.0477 C.3 1 UNL1111111111 0.0370 6 O 12.4558 0.4913 0.6828 O.3 1 UNL1111111111 -0.5342 7 C 10.0796 0.9717 0.7364 C.3 1 UNL1111111111 0.0379 8 C 10.1525 2.4895 0.5090 C.3 1 UNL1111111111 -0.0223 9 O 9.2268 3.1257 1.3574 O.3 1 UNL1111111111 -0.5302 10 O 8.8832 0.5896 0.0891 O.3 1 UNL1111111111 -0.5227 11 C 8.4893 -0.7605 0.3084 C.3 1 UNL1111111111 0.3133 12 O 7.3446 -0.9350 -0.4767 O.3 1 UNL1111111111 -0.3863 13 C 6.2097 -0.1715 -0.0800 C.3 1 UNL1111111111 -0.0068 14 C 5.0457 -1.1804 -0.0644 C.3 1 UNL1111111111 0.0707 15 O 3.8355 -0.4608 0.0448 O.3 1 UNL1111111111 -0.5279 16 C 5.0600 -2.0565 1.2005 C.3 1 UNL1111111111 -0.0279 17 O 4.0042 -2.9845 1.1390 O.3 1 UNL1111111111 -0.5245 18 C 6.0038 0.8898 -1.1786 C.3 1 UNL1111111111 0.0643 19 O 6.8394 2.0009 -0.9307 O.3 1 UNL1111111111 -0.5858 20 C 4.5859 1.4905 -1.1868 C.3 1 UNL1111111111 0.0622 21 O 4.3475 2.0482 -2.4605 O.3 1 UNL1111111111 -0.5377 22 C 3.5161 0.3875 -1.0518 C.3 1 UNL1111111111 0.3197 23 O 2.3520 1.0624 -0.6661 O.3 1 UNL1111111111 -0.3898 24 C 1.2693 0.2310 -0.2695 C.3 1 UNL1111111111 -0.0040 25 C 0.0574 0.7106 -1.0893 C.3 1 UNL1111111111 0.0640 26 O -1.0787 0.0758 -0.5299 O.3 1 UNL1111111111 -0.5203 27 C 0.0875 0.2071 -2.5404 C.3 1 UNL1111111111 -0.0271 28 O -0.9889 0.7702 -3.2525 O.3 1 UNL1111111111 -0.5280 29 C 1.0834 0.4974 1.2442 C.3 1 UNL1111111111 0.0970 30 O 1.9478 -0.3650 1.9560 O.3 1 UNL1111111111 -0.5684 31 C -0.3216 0.1509 1.7710 C.3 1 UNL1111111111 0.0661 32 O -0.5042 0.9859 2.8940 O.3 1 UNL1111111111 -0.5368 33 C -1.4206 0.5578 0.7621 C.3 1 UNL1111111111 0.2955 34 O -2.5554 -0.1657 1.1504 O.3 1 UNL1111111111 -0.4138 35 C -3.6967 0.0165 0.3184 C.3 1 UNL1111111111 -0.0015 36 C -4.8466 0.3436 1.2856 C.3 1 UNL1111111111 0.0657 37 O -6.0613 0.2493 0.5703 O.3 1 UNL1111111111 -0.5199 38 C -4.8098 1.8156 1.7370 C.3 1 UNL1111111111 -0.0256 39 O -5.8760 2.0608 2.6228 O.3 1 UNL1111111111 -0.5289 40 C -3.9033 -1.3257 -0.4190 C.3 1 UNL1111111111 0.0969 41 O -3.1307 -1.2942 -1.6024 O.3 1 UNL1111111111 -0.5695 42 C -5.3432 -1.5515 -0.9115 C.3 1 UNL1111111111 0.0648 43 O -5.4964 -2.9546 -0.9574 O.3 1 UNL1111111111 -0.5359 44 C -6.3882 -1.0533 0.1128 C.3 1 UNL1111111111 0.2985 45 O -7.5674 -0.9073 -0.6336 O.3 1 UNL1111111111 -0.4191 46 C -8.6399 -0.2619 0.0420 C.3 1 UNL1111111111 0.0057 47 C -8.8424 1.0908 -0.6722 C.3 1 UNL1111111111 0.1015 48 O -7.9454 2.0337 -0.1195 O.3 1 UNL1111111111 -0.5720 49 C -10.2329 1.7016 -0.4354 C.3 1 UNL1111111111 0.0303 50 O -10.5131 2.3932 -1.6382 O.3 1 UNL1111111111 -0.5386 51 C -11.3823 0.6715 -0.2724 C.3 1 UNL1111111111 0.3252 52 O -12.3826 1.2372 0.5200 O.3 1 UNL1111111111 -0.5518 53 O -10.9719 -0.4943 0.4208 O.3 1 UNL1111111111 -0.4935 54 C -9.8686 -1.1636 -0.1628 C.3 1 UNL1111111111 0.0536 55 C -9.7721 -2.4754 0.6290 C.3 1 UNL1111111111 -0.0189 56 O -10.8145 -3.3399 0.2405 O.3 1 UNL1111111111 -0.5343 57 H 9.7225 -3.6735 -0.1659 H 1 UNL1111111111 0.3389 58 H 9.4057 -1.7991 -1.4130 H 1 UNL1111111111 0.1706 59 H 11.2917 -1.7597 1.0137 H 1 UNL1111111111 0.1443 60 H 12.6980 -1.6561 -0.8829 H 1 UNL1111111111 0.3357 61 H 11.4083 0.5911 -0.9921 H 1 UNL1111111111 0.1797 62 H 12.4113 0.3313 1.6492 H 1 UNL1111111111 0.3178 63 H 10.0096 0.7398 1.8224 H 1 UNL1111111111 0.1431 64 H 9.9595 2.7616 -0.5444 H 1 UNL1111111111 0.1358 65 H 11.1334 2.8975 0.8267 H 1 UNL1111111111 0.1663 66 H 8.3078 2.9427 1.0570 H 1 UNL1111111111 0.3259 67 H 8.2919 -0.9278 1.3863 H 1 UNL1111111111 0.1348 68 H 6.3510 0.3142 0.9099 H 1 UNL1111111111 0.1555 69 H 5.0261 -1.8068 -0.9843 H 1 UNL1111111111 0.1567 70 H 4.9795 -1.4575 2.1251 H 1 UNL1111111111 0.1281 71 H 5.9714 -2.6884 1.2330 H 1 UNL1111111111 0.1654 72 H 3.1403 -2.5133 1.2047 H 1 UNL1111111111 0.3279 73 H 6.2733 0.4783 -2.1816 H 1 UNL1111111111 0.1582 74 H 7.7427 1.6825 -0.7028 H 1 UNL1111111111 0.3505 75 H 4.4672 2.2779 -0.4074 H 1 UNL1111111111 0.1664 76 H 4.9983 2.7676 -2.6288 H 1 UNL1111111111 0.3371 77 H 3.3556 -0.2223 -1.9629 H 1 UNL1111111111 0.1352 78 H 1.4745 -0.8478 -0.4456 H 1 UNL1111111111 0.1605 79 H -0.0612 1.8163 -1.0548 H 1 UNL1111111111 0.1568 80 H 0.0477 -0.8945 -2.6011 H 1 UNL1111111111 0.1299 81 H 0.9837 0.5900 -3.0713 H 1 UNL1111111111 0.1652 82 H -1.8422 0.4082 -2.9221 H 1 UNL1111111111 0.3264 83 H 1.3530 1.5508 1.5029 H 1 UNL1111111111 0.1634 84 H 2.8504 -0.3083 1.5666 H 1 UNL1111111111 0.3418 85 H -0.3896 -0.9236 2.0508 H 1 UNL1111111111 0.1642 86 H -1.0774 0.5522 3.5596 H 1 UNL1111111111 0.3285 87 H -1.6244 1.6471 0.7218 H 1 UNL1111111111 0.1322 88 H -3.5469 0.8329 -0.4233 H 1 UNL1111111111 0.1590 89 H -4.8719 -0.3456 2.1583 H 1 UNL1111111111 0.1536 90 H -4.8664 2.5148 0.8822 H 1 UNL1111111111 0.1302 91 H -3.9064 2.0255 2.3408 H 1 UNL1111111111 0.1587 92 H -6.7334 1.9923 2.1396 H 1 UNL1111111111 0.3300 93 H -3.5572 -2.1875 0.2024 H 1 UNL1111111111 0.1643 94 H -2.2060 -1.0459 -1.3757 H 1 UNL1111111111 0.3432 95 H -5.4967 -1.0965 -1.9165 H 1 UNL1111111111 0.1669 96 H -6.0956 -3.2122 -1.6897 H 1 UNL1111111111 0.3299 97 H -6.5419 -1.7264 0.9801 H 1 UNL1111111111 0.1324 98 H -8.4249 -0.1084 1.1215 H 1 UNL1111111111 0.1581 99 H -8.6260 1.0073 -1.7661 H 1 UNL1111111111 0.1657 100 H -7.0426 1.6433 -0.0896 H 1 UNL1111111111 0.3415 101 H -10.2016 2.4141 0.4203 H 1 UNL1111111111 0.1590 102 H -11.1755 3.0984 -1.4824 H 1 UNL1111111111 0.3259 103 H -11.8796 0.4035 -1.2290 H 1 UNL1111111111 0.1522 104 H -12.2203 1.0739 1.4761 H 1 UNL1111111111 0.3402 105 H -10.0660 -1.3635 -1.2397 H 1 UNL1111111111 0.1545 106 H -9.8262 -2.3061 1.7194 H 1 UNL1111111111 0.1305 107 H -8.8527 -3.0370 0.3718 H 1 UNL1111111111 0.1573 108 H -11.6812 -2.8942 0.3694 H 1 UNL1111111111 0.3250 @BOND 1 1 2 1 2 1 57 1 3 2 3 1 4 2 11 1 5 2 58 1 6 3 4 1 7 3 5 1 8 3 59 1 9 4 60 1 10 5 6 1 11 5 7 1 12 5 61 1 13 6 62 1 14 7 8 1 15 7 10 1 16 7 63 1 17 8 9 1 18 8 64 1 19 8 65 1 20 9 66 1 21 10 11 1 22 11 12 1 23 11 67 1 24 12 13 1 25 13 14 1 26 13 18 1 27 13 68 1 28 14 16 1 29 14 15 1 30 14 69 1 31 15 22 1 32 16 17 1 33 16 70 1 34 16 71 1 35 17 72 1 36 18 19 1 37 18 20 1 38 18 73 1 39 19 74 1 40 20 22 1 41 20 21 1 42 20 75 1 43 21 76 1 44 22 23 1 45 22 77 1 46 23 24 1 47 24 29 1 48 24 25 1 49 24 78 1 50 25 27 1 51 25 26 1 52 25 79 1 53 26 33 1 54 27 28 1 55 27 80 1 56 27 81 1 57 28 82 1 58 29 30 1 59 29 31 1 60 29 83 1 61 30 84 1 62 31 32 1 63 31 33 1 64 31 85 1 65 32 86 1 66 33 34 1 67 33 87 1 68 34 35 1 69 35 40 1 70 35 36 1 71 35 88 1 72 36 38 1 73 36 37 1 74 36 89 1 75 37 44 1 76 38 39 1 77 38 90 1 78 38 91 1 79 39 92 1 80 40 41 1 81 40 42 1 82 40 93 1 83 41 94 1 84 42 43 1 85 42 44 1 86 42 95 1 87 43 96 1 88 44 45 1 89 44 97 1 90 45 46 1 91 46 47 1 92 46 54 1 93 46 98 1 94 47 48 1 95 47 49 1 96 47 99 1 97 48 100 1 98 49 50 1 99 49 51 1 100 49 101 1 101 50 102 1 102 51 53 1 103 51 52 1 104 51 103 1 105 52 104 1 106 53 54 1 107 54 55 1 108 54 105 1 109 55 56 1 110 55 106 1 111 55 107 1 112 56 108 1