@MOLECULE alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranose 108 112 0 0 0 SMALL GASTEIGER @ATOM 1 C 8.7972 1.8401 -1.9423 C.3 1 UNL1111111111 0.3127 2 O 9.5757 0.7162 -1.6216 O.3 1 UNL1111111111 -0.6068 3 C 5.4198 0.5838 1.7916 C.3 1 UNL1111111111 0.2778 4 C 1.4003 -2.6907 1.1771 C.3 1 UNL1111111111 0.2764 5 C -2.9312 -1.9483 -1.6661 C.3 1 UNL1111111111 0.2769 6 C -6.3585 1.9325 -0.9733 C.3 1 UNL1111111111 0.2794 7 C 8.6677 2.6212 -0.6189 C.3 1 UNL1111111111 0.0338 8 O 9.9300 2.9129 -0.0819 O.3 1 UNL1111111111 -0.5344 9 C 5.2722 -0.7620 2.5349 C.3 1 UNL1111111111 0.0301 10 O 6.4977 -1.4469 2.5983 O.3 1 UNL1111111111 -0.5370 11 C 0.9952 -3.5581 -0.0339 C.3 1 UNL1111111111 0.0310 12 O 2.1002 -3.8501 -0.8500 O.3 1 UNL1111111111 -0.5355 13 C -3.2626 -0.8807 -2.7299 C.3 1 UNL1111111111 0.0288 14 O -2.1033 -0.4301 -3.3822 O.3 1 UNL1111111111 -0.5367 15 C -6.3257 3.1339 0.0019 C.3 1 UNL1111111111 0.0286 16 O -5.0089 3.5650 0.2302 O.3 1 UNL1111111111 -0.5354 17 C 7.8517 1.8114 0.4045 C.3 1 UNL1111111111 0.0634 18 O 7.4508 2.6777 1.4479 O.3 1 UNL1111111111 -0.5691 19 C 4.2341 -1.6678 1.8478 C.3 1 UNL1111111111 0.0667 20 O 3.8692 -2.6926 2.7511 O.3 1 UNL1111111111 -0.5723 21 C -0.0851 -2.8808 -0.8985 C.3 1 UNL1111111111 0.0651 22 O -0.7263 -3.8788 -1.6682 O.3 1 UNL1111111111 -0.5729 23 C -3.9820 0.3308 -2.1103 C.3 1 UNL1111111111 0.0658 24 O -4.6055 1.0603 -3.1485 O.3 1 UNL1111111111 -0.5722 25 C -6.9755 2.7438 1.3395 C.3 1 UNL1111111111 0.0509 26 O -7.2158 3.8985 2.1173 O.3 1 UNL1111111111 -0.5701 27 C 6.5372 1.2933 -0.2079 C.3 1 UNL1111111111 0.0584 28 O 6.0384 0.2230 0.5778 O.3 1 UNL1111111111 -0.4831 29 C 2.9289 -0.9011 1.5613 C.3 1 UNL1111111111 0.0559 30 O 2.1558 -1.6351 0.6242 O.3 1 UNL1111111111 -0.4746 31 C -1.2095 -2.2585 -0.0470 C.3 1 UNL1111111111 0.0571 32 O -1.9377 -1.3506 -0.8589 O.3 1 UNL1111111111 -0.4758 33 C -5.1314 -0.1056 -1.1808 C.3 1 UNL1111111111 0.0579 34 O -5.4942 0.9942 -0.3646 O.3 1 UNL1111111111 -0.4796 35 C -8.3710 2.1394 1.0877 C.3 1 UNL1111111111 0.0749 36 O -8.8791 1.5769 2.2771 O.3 1 UNL1111111111 -0.5499 37 C 6.7901 0.6081 -1.5694 C.3 1 UNL1111111111 0.0498 38 O 7.5395 1.4621 -2.4211 O.3 1 UNL1111111111 -0.4590 39 C 3.2448 0.4102 0.8158 C.3 1 UNL1111111111 0.0382 40 O 4.1764 1.1747 1.5649 O.3 1 UNL1111111111 -0.4399 41 C -0.5856 -1.3776 1.0523 C.3 1 UNL1111111111 0.0363 42 O 0.2751 -2.1901 1.8385 O.3 1 UNL1111111111 -0.4444 43 C -4.6143 -1.1587 -0.1788 C.3 1 UNL1111111111 0.0394 44 O -4.0631 -2.2505 -0.9039 O.3 1 UNL1111111111 -0.4438 45 C -8.2417 0.9531 0.1132 C.3 1 UNL1111111111 0.0419 46 O -7.6469 1.4075 -1.0962 O.3 1 UNL1111111111 -0.4492 47 C 5.4822 0.3811 -2.3414 C.3 1 UNL1111111111 -0.0179 48 O 5.6783 -0.6322 -3.2990 O.3 1 UNL1111111111 -0.5306 49 C 2.0283 1.3421 0.7234 C.3 1 UNL1111111111 -0.0146 50 O 2.3007 2.3714 -0.2011 O.3 1 UNL1111111111 -0.5364 51 C -1.6057 -0.8561 2.0745 C.3 1 UNL1111111111 -0.0124 52 O -0.9457 -0.0610 3.0346 O.3 1 UNL1111111111 -0.5371 53 C -5.7313 -1.8120 0.6470 C.3 1 UNL1111111111 -0.0172 54 O -5.1611 -2.6975 1.5856 O.3 1 UNL1111111111 -0.5326 55 C -9.6083 0.4113 -0.3196 C.3 1 UNL1111111111 -0.0162 56 O -9.4424 -0.8056 -1.0155 O.3 1 UNL1111111111 -0.5393 57 H 9.2430 2.4065 -2.7861 H 1 UNL1111111111 0.1463 58 H 9.6525 0.0965 -2.3741 H 1 UNL1111111111 0.3488 59 H 5.9791 1.3710 2.3483 H 1 UNL1111111111 0.1809 60 H 1.9440 -3.2407 1.9799 H 1 UNL1111111111 0.1816 61 H -2.6213 -2.9350 -2.0791 H 1 UNL1111111111 0.1804 62 H -6.0705 2.1721 -2.0215 H 1 UNL1111111111 0.1797 63 H 8.2178 3.6288 -0.7892 H 1 UNL1111111111 0.1742 64 H 10.5093 2.1141 -0.1019 H 1 UNL1111111111 0.3380 65 H 5.0119 -0.5939 3.6072 H 1 UNL1111111111 0.1728 66 H 6.9899 -1.3508 1.7508 H 1 UNL1111111111 0.3348 67 H 0.6530 -4.5657 0.3078 H 1 UNL1111111111 0.1722 68 H 2.6821 -3.0603 -0.9440 H 1 UNL1111111111 0.3367 69 H -3.8705 -1.3263 -3.5541 H 1 UNL1111111111 0.1714 70 H -1.3651 -0.3272 -2.7377 H 1 UNL1111111111 0.3344 71 H -6.8173 4.0268 -0.4480 H 1 UNL1111111111 0.1680 72 H -4.4094 2.7911 0.3408 H 1 UNL1111111111 0.3341 73 H 8.4516 0.9847 0.8470 H 1 UNL1111111111 0.1518 74 H 8.2243 3.1881 1.7784 H 1 UNL1111111111 0.3409 75 H 4.6410 -2.1418 0.9268 H 1 UNL1111111111 0.1517 76 H 4.6757 -3.1315 3.1044 H 1 UNL1111111111 0.3421 77 H 0.3582 -2.1321 -1.5930 H 1 UNL1111111111 0.1486 78 H -0.0577 -4.4000 -2.1677 H 1 UNL1111111111 0.3412 79 H -3.2706 1.0082 -1.5867 H 1 UNL1111111111 0.1496 80 H -3.9572 1.2487 -3.8634 H 1 UNL1111111111 0.3401 81 H -6.3288 2.0578 1.9320 H 1 UNL1111111111 0.1544 82 H -6.4116 4.4645 2.1319 H 1 UNL1111111111 0.3404 83 H 5.7794 2.1053 -0.2663 H 1 UNL1111111111 0.1600 84 H 2.3463 -0.7342 2.4933 H 1 UNL1111111111 0.1592 85 H -1.8867 -3.0371 0.3656 H 1 UNL1111111111 0.1604 86 H -6.0105 -0.4621 -1.7593 H 1 UNL1111111111 0.1591 87 H -9.0857 2.9121 0.7304 H 1 UNL1111111111 0.1440 88 H -8.8188 2.2386 3.0035 H 1 UNL1111111111 0.3394 89 H 7.3439 -0.3501 -1.4350 H 1 UNL1111111111 0.1630 90 H 3.6665 0.2022 -0.1947 H 1 UNL1111111111 0.1552 91 H -0.0043 -0.5367 0.6081 H 1 UNL1111111111 0.1548 92 H -3.8329 -0.7239 0.4858 H 1 UNL1111111111 0.1561 93 H -7.6149 0.1427 0.5498 H 1 UNL1111111111 0.1577 94 H 4.6929 -0.0379 -1.6837 H 1 UNL1111111111 0.1567 95 H 5.1181 1.3049 -2.8256 H 1 UNL1111111111 0.1376 96 H 6.2425 -0.3042 -4.0310 H 1 UNL1111111111 0.3185 97 H 1.1476 0.8265 0.2927 H 1 UNL1111111111 0.1549 98 H 1.7679 1.7838 1.7030 H 1 UNL1111111111 0.1393 99 H 3.1060 2.8596 0.0764 H 1 UNL1111111111 0.3217 100 H -2.3239 -0.1550 1.6084 H 1 UNL1111111111 0.1527 101 H -2.1434 -1.6746 2.5865 H 1 UNL1111111111 0.1390 102 H -0.1970 -0.5614 3.4261 H 1 UNL1111111111 0.3240 103 H -6.2636 -1.0711 1.2771 H 1 UNL1111111111 0.1586 104 H -6.4519 -2.3616 0.0151 H 1 UNL1111111111 0.1361 105 H -4.6075 -3.3600 1.1180 H 1 UNL1111111111 0.3212 106 H -10.2218 0.1343 0.5616 H 1 UNL1111111111 0.1660 107 H -10.1568 1.1231 -0.9601 H 1 UNL1111111111 0.1287 108 H -8.8256 -0.6731 -1.7661 H 1 UNL1111111111 0.3191 @BOND 1 1 7 1 2 1 2 1 3 1 57 1 4 2 58 1 5 3 9 1 6 3 28 1 7 3 59 1 8 4 11 1 9 4 30 1 10 4 60 1 11 5 13 1 12 5 32 1 13 5 61 1 14 6 34 1 15 6 15 1 16 6 62 1 17 7 8 1 18 7 63 1 19 8 64 1 20 9 10 1 21 9 65 1 22 10 66 1 23 11 12 1 24 11 67 1 25 12 68 1 26 13 14 1 27 13 69 1 28 14 70 1 29 15 16 1 30 15 71 1 31 16 72 1 32 17 7 1 33 17 18 1 34 17 73 1 35 18 74 1 36 19 9 1 37 19 20 1 38 19 75 1 39 20 76 1 40 21 11 1 41 21 22 1 42 21 77 1 43 22 78 1 44 23 13 1 45 23 24 1 46 23 79 1 47 24 80 1 48 25 15 1 49 25 26 1 50 25 81 1 51 26 82 1 52 27 17 1 53 27 83 1 54 28 27 1 55 29 19 1 56 29 84 1 57 30 29 1 58 31 21 1 59 31 85 1 60 32 31 1 61 33 23 1 62 33 86 1 63 34 33 1 64 35 25 1 65 35 87 1 66 36 35 1 67 36 88 1 68 37 27 1 69 37 38 1 70 37 89 1 71 38 1 1 72 39 29 1 73 39 40 1 74 39 90 1 75 40 3 1 76 41 31 1 77 41 42 1 78 41 91 1 79 42 4 1 80 43 33 1 81 43 44 1 82 43 92 1 83 44 5 1 84 45 35 1 85 45 46 1 86 45 93 1 87 46 6 1 88 47 37 1 89 47 94 1 90 47 95 1 91 48 47 1 92 48 96 1 93 49 39 1 94 49 97 1 95 49 98 1 96 50 49 1 97 50 99 1 98 51 41 1 99 51 100 1 100 51 101 1 101 52 51 1 102 52 102 1 103 53 43 1 104 53 103 1 105 53 104 1 106 54 53 1 107 54 105 1 108 55 45 1 109 55 106 1 110 55 107 1 111 56 55 1 112 56 108 1