@MOLECULE a-d-glucopyranosyl-(1->4)-a-d-glucopyranosyl-(1->4)-a-d-glucopyranosyl-(1->4)-a-d-glucopyranosyl-(1->4)-a-d-glucopyranosyl-(1->4)-a-d-glucopyranose 129 134 0 0 0 SMALL GASTEIGER @ATOM 1 C 10.7320 1.1949 -2.5178 C.3 1 UNL1111111111 0.3127 2 O 11.5894 0.4567 -1.6860 O.3 1 UNL1111111111 -0.6071 3 C 7.1814 1.7755 1.2438 C.3 1 UNL1111111111 0.2760 4 C 3.3226 -1.4948 2.5930 C.3 1 UNL1111111111 0.2748 5 C -0.7984 -3.1984 -0.1416 C.3 1 UNL1111111111 0.2744 6 C -4.6640 -0.5985 -2.5239 C.3 1 UNL1111111111 0.2752 7 C -8.2945 2.4278 -0.2823 C.3 1 UNL1111111111 0.2773 8 C 10.4903 2.5186 -1.7645 C.3 1 UNL1111111111 0.0324 9 O 11.7051 3.1459 -1.4525 O.3 1 UNL1111111111 -0.5339 10 C 7.0638 1.0936 2.6241 C.3 1 UNL1111111111 0.0294 11 O 8.3187 0.6711 3.0942 O.3 1 UNL1111111111 -0.5358 12 C 3.0540 -2.9759 2.2464 C.3 1 UNL1111111111 0.0292 13 O 4.2406 -3.6477 1.9098 O.3 1 UNL1111111111 -0.5362 14 C -1.0868 -3.2505 -1.6567 C.3 1 UNL1111111111 0.0287 15 O 0.1008 -3.2540 -2.4071 O.3 1 UNL1111111111 -0.5364 16 C -4.8983 0.8850 -2.8777 C.3 1 UNL1111111111 0.0291 17 O -3.6837 1.5745 -3.0315 O.3 1 UNL1111111111 -0.5378 18 C -8.3217 3.0797 1.1191 C.3 1 UNL1111111111 0.0288 19 O -7.0218 3.3344 1.5857 O.3 1 UNL1111111111 -0.5356 20 C 9.6985 2.2628 -0.4690 C.3 1 UNL1111111111 0.0652 21 O 9.2100 3.4999 0.0102 O.3 1 UNL1111111111 -0.5704 22 C 6.1159 -0.1206 2.5942 C.3 1 UNL1111111111 0.0670 23 O 5.7062 -0.3984 3.9184 O.3 1 UNL1111111111 -0.5723 24 C 2.0570 -3.1416 1.0830 C.3 1 UNL1111111111 0.0672 25 O 1.5133 -4.4450 1.1466 O.3 1 UNL1111111111 -0.5734 26 C -1.9565 -2.0694 -2.1292 C.3 1 UNL1111111111 0.0664 27 O -2.5387 -2.4175 -3.3694 O.3 1 UNL1111111111 -0.5732 28 C -5.7401 1.6165 -1.8156 C.3 1 UNL1111111111 0.0677 29 O -6.3077 2.7648 -2.4153 O.3 1 UNL1111111111 -0.5737 30 C -9.0546 2.1839 2.1317 C.3 1 UNL1111111111 0.0511 31 O -9.3861 2.9377 3.2811 O.3 1 UNL1111111111 -0.5706 32 C 8.4437 1.4133 -0.7482 C.3 1 UNL1111111111 0.0565 33 O 7.9579 0.8824 0.4747 O.3 1 UNL1111111111 -0.4774 34 C 4.8112 0.1976 1.8380 C.3 1 UNL1111111111 0.0567 35 O 4.1460 -1.0215 1.5467 O.3 1 UNL1111111111 -0.4721 36 C 0.8506 -2.1964 1.2412 C.3 1 UNL1111111111 0.0539 37 O 0.1395 -2.1529 0.0154 O.3 1 UNL1111111111 -0.4705 38 C -3.1458 -1.8362 -1.1772 C.3 1 UNL1111111111 0.0551 39 O -3.7330 -0.5770 -1.4602 O.3 1 UNL1111111111 -0.4726 40 C -6.9498 0.7792 -1.3549 C.3 1 UNL1111111111 0.0570 41 O -7.4324 1.3175 -0.1348 O.3 1 UNL1111111111 -0.4744 42 C -10.4133 1.7262 1.5676 C.3 1 UNL1111111111 0.0758 43 O -10.9512 0.7027 2.3759 O.3 1 UNL1111111111 -0.5504 44 C 8.8171 0.1508 -1.5539 C.3 1 UNL1111111111 0.0466 45 O 9.5292 0.5153 -2.7290 O.3 1 UNL1111111111 -0.4587 46 C 5.1559 0.7893 0.4593 C.3 1 UNL1111111111 0.0351 47 O 5.9283 1.9660 0.6559 O.3 1 UNL1111111111 -0.4408 48 C 1.3664 -0.7610 1.4515 C.3 1 UNL1111111111 0.0364 49 O 2.1401 -0.7500 2.6441 O.3 1 UNL1111111111 -0.4417 50 C -2.6110 -1.7046 0.2615 C.3 1 UNL1111111111 0.0369 51 O -1.9526 -2.9196 0.5956 O.3 1 UNL1111111111 -0.4429 52 C -6.4820 -0.6409 -0.9854 C.3 1 UNL1111111111 0.0365 53 O -5.8510 -1.2169 -2.1212 O.3 1 UNL1111111111 -0.4428 54 C -10.2002 1.0711 0.1909 C.3 1 UNL1111111111 0.0429 55 O -9.5669 2.0072 -0.6744 O.3 1 UNL1111111111 -0.4514 56 C 7.5793 -0.5775 -2.0976 C.3 1 UNL1111111111 -0.0165 57 O 7.9582 -1.8558 -2.5525 O.3 1 UNL1111111111 -0.5300 58 C 3.9279 1.2949 -0.3087 C.3 1 UNL1111111111 -0.0130 59 O 4.3173 1.6522 -1.6165 O.3 1 UNL1111111111 -0.5367 60 C 0.2474 0.2496 1.7299 C.3 1 UNL1111111111 -0.0139 61 O 0.7951 1.5497 1.7335 O.3 1 UNL1111111111 -0.5347 62 C -3.7199 -1.5943 1.3158 C.3 1 UNL1111111111 -0.0140 63 O -3.1326 -1.3424 2.5735 O.3 1 UNL1111111111 -0.5358 64 C -7.6414 -1.6031 -0.6926 C.3 1 UNL1111111111 -0.0156 65 O -7.1199 -2.8412 -0.2613 O.3 1 UNL1111111111 -0.5343 66 C -11.5246 0.7625 -0.5170 C.3 1 UNL1111111111 -0.0152 67 O -11.2756 0.0320 -1.6999 O.3 1 UNL1111111111 -0.5402 68 H 11.1605 1.3017 -3.5362 H 1 UNL1111111111 0.1461 69 H 11.7535 -0.4432 -2.0332 H 1 UNL1111111111 0.3494 70 H 7.6097 2.8045 1.2712 H 1 UNL1111111111 0.1816 71 H 3.7701 -1.3350 3.6015 H 1 UNL1111111111 0.1801 72 H -0.4467 -4.1639 0.2907 H 1 UNL1111111111 0.1811 73 H -4.3238 -1.2272 -3.3792 H 1 UNL1111111111 0.1810 74 H -7.9831 3.1134 -1.1034 H 1 UNL1111111111 0.1797 75 H 9.9708 3.2621 -2.4156 H 1 UNL1111111111 0.1739 76 H 12.3429 2.4939 -1.0743 H 1 UNL1111111111 0.3382 77 H 6.7328 1.8329 3.3940 H 1 UNL1111111111 0.1723 78 H 8.8538 0.2945 2.3575 H 1 UNL1111111111 0.3354 79 H 2.6917 -3.5245 3.1503 H 1 UNL1111111111 0.1707 80 H 4.8367 -3.0576 1.3919 H 1 UNL1111111111 0.3370 81 H -1.5665 -4.2239 -1.9256 H 1 UNL1111111111 0.1711 82 H 0.7750 -2.6706 -1.9865 H 1 UNL1111111111 0.3363 83 H -5.3773 0.9702 -3.8842 H 1 UNL1111111111 0.1710 84 H -3.0184 1.2486 -2.3815 H 1 UNL1111111111 0.3367 85 H -8.7852 4.0935 1.0696 H 1 UNL1111111111 0.1685 86 H -6.4266 2.5800 1.3686 H 1 UNL1111111111 0.3340 87 H 10.3335 1.8076 0.3235 H 1 UNL1111111111 0.1523 88 H 9.9374 4.1625 0.0331 H 1 UNL1111111111 0.3418 89 H 6.6181 -1.0246 2.1833 H 1 UNL1111111111 0.1491 90 H 6.4914 -0.4975 4.5014 H 1 UNL1111111111 0.3410 91 H 2.5514 -3.0150 0.0944 H 1 UNL1111111111 0.1492 92 H 2.2359 -5.1117 1.1658 H 1 UNL1111111111 0.3419 93 H -1.3559 -1.1439 -2.2720 H 1 UNL1111111111 0.1498 94 H -1.8432 -2.7228 -3.9946 H 1 UNL1111111111 0.3417 95 H -5.1172 1.9415 -0.9521 H 1 UNL1111111111 0.1489 96 H -5.6067 3.3107 -2.8350 H 1 UNL1111111111 0.3404 97 H -8.4291 1.3208 2.4521 H 1 UNL1111111111 0.1537 98 H -8.5961 3.4290 3.5987 H 1 UNL1111111111 0.3396 99 H 7.6534 2.0196 -1.2425 H 1 UNL1111111111 0.1597 100 H 4.1508 0.8654 2.4326 H 1 UNL1111111111 0.1598 101 H 0.1813 -2.5259 2.0656 H 1 UNL1111111111 0.1590 102 H -3.9035 -2.6445 -1.2720 H 1 UNL1111111111 0.1595 103 H -7.7547 0.7757 -2.1217 H 1 UNL1111111111 0.1595 104 H -11.1381 2.5693 1.5346 H 1 UNL1111111111 0.1454 105 H -10.9621 0.9985 3.3150 H 1 UNL1111111111 0.3388 106 H 9.4482 -0.5373 -0.9459 H 1 UNL1111111111 0.1618 107 H 5.7334 0.0616 -0.1572 H 1 UNL1111111111 0.1558 108 H 1.9933 -0.4254 0.5930 H 1 UNL1111111111 0.1572 109 H -1.8970 -0.8539 0.3520 H 1 UNL1111111111 0.1567 110 H -5.7653 -0.6177 -0.1331 H 1 UNL1111111111 0.1556 111 H -9.5687 0.1578 0.2735 H 1 UNL1111111111 0.1578 112 H 6.8535 -0.7970 -1.2884 H 1 UNL1111111111 0.1566 113 H 7.0836 -0.0149 -2.9091 H 1 UNL1111111111 0.1381 114 H 8.5311 -1.7747 -3.3445 H 1 UNL1111111111 0.3191 115 H 3.1842 0.4898 -0.4678 H 1 UNL1111111111 0.1551 116 H 3.4478 2.1598 0.1836 H 1 UNL1111111111 0.1396 117 H 5.0238 2.3327 -1.5773 H 1 UNL1111111111 0.3213 118 H -0.4899 0.2780 0.9034 H 1 UNL1111111111 0.1556 119 H -0.2673 0.0567 2.6882 H 1 UNL1111111111 0.1383 120 H 1.4497 1.6286 2.4607 H 1 UNL1111111111 0.3202 121 H -4.3566 -0.7045 1.1450 H 1 UNL1111111111 0.1543 122 H -4.3421 -2.5062 1.3715 H 1 UNL1111111111 0.1403 123 H -2.5214 -2.0751 2.8047 H 1 UNL1111111111 0.3213 124 H -8.2475 -1.2601 0.1692 H 1 UNL1111111111 0.1591 125 H -8.2871 -1.7649 -1.5741 H 1 UNL1111111111 0.1365 126 H -6.4978 -3.1883 -0.9368 H 1 UNL1111111111 0.3208 127 H -12.1568 0.0860 0.0917 H 1 UNL1111111111 0.1641 128 H -12.0839 1.6793 -0.7750 H 1 UNL1111111111 0.1292 129 H -10.5847 0.4885 -2.2279 H 1 UNL1111111111 0.3204 @BOND 1 1 45 1 2 1 8 1 3 1 68 1 4 2 1 1 5 2 69 1 6 3 47 1 7 3 70 1 8 4 49 1 9 4 71 1 10 5 51 1 11 5 72 1 12 6 53 1 13 6 73 1 14 7 55 1 15 7 74 1 16 8 75 1 17 9 8 1 18 9 76 1 19 10 3 1 20 10 22 1 21 10 77 1 22 11 10 1 23 11 78 1 24 12 4 1 25 12 24 1 26 12 79 1 27 13 12 1 28 13 80 1 29 14 5 1 30 14 26 1 31 14 81 1 32 15 14 1 33 15 82 1 34 16 6 1 35 16 28 1 36 16 83 1 37 17 16 1 38 17 84 1 39 18 7 1 40 18 30 1 41 18 85 1 42 19 18 1 43 19 86 1 44 20 8 1 45 20 21 1 46 20 32 1 47 20 87 1 48 21 88 1 49 22 34 1 50 22 89 1 51 23 22 1 52 23 90 1 53 24 36 1 54 24 91 1 55 25 24 1 56 25 92 1 57 26 38 1 58 26 93 1 59 27 26 1 60 27 94 1 61 28 40 1 62 28 95 1 63 29 28 1 64 29 96 1 65 30 42 1 66 30 97 1 67 31 30 1 68 31 98 1 69 32 99 1 70 33 3 1 71 33 32 1 72 34 35 1 73 34 46 1 74 34 100 1 75 35 4 1 76 36 37 1 77 36 48 1 78 36 101 1 79 37 5 1 80 38 39 1 81 38 50 1 82 38 102 1 83 39 6 1 84 40 41 1 85 40 52 1 86 40 103 1 87 41 7 1 88 42 43 1 89 42 54 1 90 42 104 1 91 43 105 1 92 44 32 1 93 44 45 1 94 44 56 1 95 44 106 1 96 46 58 1 97 46 107 1 98 47 46 1 99 48 60 1 100 48 108 1 101 49 48 1 102 50 62 1 103 50 109 1 104 51 50 1 105 52 64 1 106 52 110 1 107 53 52 1 108 54 66 1 109 54 111 1 110 55 54 1 111 56 112 1 112 56 113 1 113 57 56 1 114 57 114 1 115 58 59 1 116 58 115 1 117 58 116 1 118 59 117 1 119 60 61 1 120 60 118 1 121 60 119 1 122 61 120 1 123 62 63 1 124 62 121 1 125 62 122 1 126 63 123 1 127 64 65 1 128 64 124 1 129 64 125 1 130 65 126 1 131 66 67 1 132 66 127 1 133 66 128 1 134 67 129 1