@MOLECULE alpha-d-glucopyranosyl-(1->6)-alpha-d-glucopyranosyl-(1->6)-alpha-d-glucopyranosyl-(1->6)-4-o-sulfo-alpha-d-glucopyranose 91 94 0 0 0 SMALL GASTEIGER @ATOM 1 S 3.9299 -1.6199 -2.3942 S.O2 1 UNL111111111 2.5676 2 C 3.3494 1.6970 2.0131 C.3 1 UNL111111111 0.3016 3 O 3.8272 2.9629 1.6420 O.3 1 UNL111111111 -0.5980 4 C -0.4025 2.0419 -1.5215 C.3 1 UNL111111111 0.2640 5 C -0.6882 -1.3810 2.3603 C.3 1 UNL111111111 0.2698 6 C -3.9453 -1.4806 -1.7015 C.3 1 UNL111111111 0.2752 7 O -2.6748 -1.3411 -1.1305 O.3 1 UNL111111111 -0.4590 8 O 3.9903 -2.7511 -1.5085 O.2 1 UNL111111111 -0.9223 9 C 4.5805 0.7624 2.0347 C.3 1 UNL111111111 0.0228 10 O 5.6543 1.3583 2.7090 O.3 1 UNL111111111 -0.5307 11 C -0.9306 3.4904 -1.6057 C.3 1 UNL111111111 0.0330 12 O -0.1336 4.2586 -2.4700 O.3 1 UNL111111111 -0.5314 13 C 0.6913 -2.0739 2.5463 C.3 1 UNL111111111 0.0485 14 O 1.5736 -1.2211 3.2310 O.3 1 UNL111111111 -0.5350 15 C -4.3830 -0.0131 -1.9497 C.3 1 UNL111111111 0.0446 16 O -3.3809 0.6799 -2.6482 O.3 1 UNL111111111 -0.5416 17 O 4.6079 -1.5475 -3.6468 O.2 1 UNL111111111 -0.8114 18 C 5.0487 0.3419 0.6204 C.3 1 UNL111111111 0.0750 19 O 5.8010 -0.8440 0.7491 O.3 1 UNL111111111 -0.5394 20 C -0.9516 4.1408 -0.2114 C.3 1 UNL111111111 0.0528 21 O -1.7999 5.2705 -0.2298 O.3 1 UNL111111111 -0.5639 22 C 1.3320 -2.4702 1.2030 C.3 1 UNL111111111 0.0435 23 O 2.2097 -3.5554 1.4157 O.3 1 UNL111111111 -0.5516 24 C -4.6474 0.6992 -0.6141 C.3 1 UNL111111111 0.0443 25 O -5.3741 1.8905 -0.8422 O.3 1 UNL111111111 -0.5636 26 O 2.3209 -1.3688 -2.5785 O.3 1 UNL111111111 -0.8690 27 C 3.8326 -0.0462 -0.2470 C.3 1 UNL111111111 0.1180 28 O 4.2751 -0.2170 -1.5677 O.3 1 UNL111111111 -0.6894 29 C -1.5781 3.2127 0.8534 C.3 1 UNL111111111 0.0807 30 O -1.2791 3.7077 2.1396 O.3 1 UNL111111111 -0.5517 31 C 0.3139 -3.0303 0.1938 C.3 1 UNL111111111 0.0930 32 O 0.9259 -3.1101 -1.0824 O.3 1 UNL111111111 -0.6082 33 C -5.5546 -0.1385 0.3020 C.3 1 UNL111111111 0.0753 34 O -5.5324 0.3992 1.6083 O.3 1 UNL111111111 -0.5522 35 C 2.8581 1.1611 -0.2448 C.3 1 UNL111111111 0.0569 36 O 2.3824 1.2638 1.0939 O.3 1 UNL111111111 -0.4623 37 C -0.8856 1.8390 0.7885 C.3 1 UNL111111111 0.0635 38 C -0.8664 -2.0562 0.0896 C.3 1 UNL111111111 0.0540 39 C -4.9751 -1.5583 0.4506 C.3 1 UNL111111111 0.0396 40 O -4.8342 -2.1370 -0.8426 O.3 1 UNL111111111 -0.4650 41 C 1.6299 0.9184 -1.1150 C.3 1 UNL111111111 -0.0510 42 C -1.4846 0.7855 1.7187 C.3 1 UNL111111111 -0.0365 43 O 0.9573 2.1739 -1.1850 O.3 1 UNL111111111 -0.4630 44 C -1.9832 -2.5470 -0.8322 C.3 1 UNL111111111 -0.0417 45 O -0.3727 -0.0703 1.9730 O.3 1 UNL111111111 -0.4693 46 C -5.9521 -2.4911 1.1740 C.3 1 UNL111111111 -0.0199 47 O -5.2794 -3.6400 1.6364 O.3 1 UNL111111111 -0.5348 48 O -1.0851 1.3259 -0.5277 O.3 1 UNL111111111 -0.4693 49 O -1.4624 -2.0176 1.3808 O.3 1 UNL111111111 -0.4355 50 H 2.7909 1.7531 2.9730 H 1 UNL111111111 0.1481 51 H -0.5472 1.4377 -2.4415 H 1 UNL111111111 0.1497 52 H -1.3429 -1.4080 3.2566 H 1 UNL111111111 0.1526 53 H -3.9345 -2.1246 -2.6033 H 1 UNL111111111 0.1432 54 H 4.3640 -0.1454 2.6540 H 1 UNL111111111 0.1747 55 H 5.7494 2.3055 2.4484 H 1 UNL111111111 0.3394 56 H -1.9385 3.5224 -2.0843 H 1 UNL111111111 0.1752 57 H 0.8205 4.0691 -2.3160 H 1 UNL111111111 0.3331 58 H 0.6051 -2.9593 3.2204 H 1 UNL111111111 0.1768 59 H 1.6001 -0.3381 2.7901 H 1 UNL111111111 0.3329 60 H -5.2620 0.0338 -2.6308 H 1 UNL111111111 0.1686 61 H -2.5356 0.6480 -2.1370 H 1 UNL111111111 0.3372 62 H 5.6724 1.1208 0.1317 H 1 UNL111111111 0.1530 63 H 6.5615 -0.6930 1.3551 H 1 UNL111111111 0.3326 64 H 0.0655 4.4723 0.0962 H 1 UNL111111111 0.1438 65 H -1.5463 5.8690 -0.9673 H 1 UNL111111111 0.3385 66 H 1.8884 -1.6064 0.7699 H 1 UNL111111111 0.1351 67 H 3.1046 -3.2350 1.6661 H 1 UNL111111111 0.3405 68 H -3.6915 0.9671 -0.1035 H 1 UNL111111111 0.1520 69 H -4.9032 2.4431 -1.5042 H 1 UNL111111111 0.3361 70 H 3.3545 -0.9654 0.1603 H 1 UNL111111111 0.1469 71 H -2.6817 3.1496 0.7394 H 1 UNL111111111 0.1496 72 H -1.5766 4.6446 2.2084 H 1 UNL111111111 0.3396 73 H -0.0092 -4.0603 0.4703 H 1 UNL111111111 0.1574 74 H 1.7766 -3.6280 -0.9965 H 1 UNL111111111 0.3748 75 H -6.6055 -0.1401 -0.0621 H 1 UNL111111111 0.1472 76 H -5.7434 1.3616 1.5692 H 1 UNL111111111 0.3376 77 H 3.3696 2.1059 -0.5401 H 1 UNL111111111 0.1658 78 H 0.2132 1.9401 0.9941 H 1 UNL111111111 0.1874 79 H -0.5441 -1.0267 -0.2105 H 1 UNL111111111 0.1769 80 H -3.9817 -1.5446 0.9607 H 1 UNL111111111 0.1763 81 H 1.9097 0.6615 -2.1591 H 1 UNL111111111 0.1771 82 H 0.9675 0.1448 -0.6840 H 1 UNL111111111 0.1483 83 H -1.8086 1.2228 2.6819 H 1 UNL111111111 0.1565 84 H -2.3133 0.2239 1.2464 H 1 UNL111111111 0.1581 85 H -2.6547 -3.2675 -0.3316 H 1 UNL111111111 0.1508 86 H -1.5846 -2.9716 -1.7718 H 1 UNL111111111 0.1455 87 H -6.3323 -2.0218 2.1049 H 1 UNL111111111 0.1667 88 H -6.7934 -2.7974 0.5264 H 1 UNL111111111 0.1299 89 H -4.8764 -4.1178 0.8809 H 1 UNL111111111 0.3152 90 H 3.0871 3.5970 1.5304 H 1 UNL111111111 0.3516 91 H 1.7081 -1.9478 -2.0661 H 1 UNL111111111 0.4205 @BOND 1 1 8 2 2 1 17 2 3 1 26 1 4 1 28 1 5 2 3 1 6 2 9 1 7 2 36 1 8 2 50 1 9 3 90 1 10 4 11 1 11 4 43 1 12 4 48 1 13 4 51 1 14 5 13 1 15 5 45 1 16 5 49 1 17 5 52 1 18 6 7 1 19 6 15 1 20 6 40 1 21 6 53 1 22 7 44 1 23 9 10 1 24 9 18 1 25 9 54 1 26 10 55 1 27 11 12 1 28 11 20 1 29 11 56 1 30 12 57 1 31 13 14 1 32 13 22 1 33 13 58 1 34 14 59 1 35 15 16 1 36 15 24 1 37 15 60 1 38 16 61 1 39 18 19 1 40 18 27 1 41 18 62 1 42 19 63 1 43 20 21 1 44 20 29 1 45 20 64 1 46 21 65 1 47 22 23 1 48 22 31 1 49 22 66 1 50 23 67 1 51 24 25 1 52 24 33 1 53 24 68 1 54 25 69 1 55 26 91 1 56 27 28 1 57 27 35 1 58 27 70 1 59 29 30 1 60 29 37 1 61 29 71 1 62 30 72 1 63 31 32 1 64 31 38 1 65 31 73 1 66 32 74 1 67 33 34 1 68 33 39 1 69 33 75 1 70 34 76 1 71 35 36 1 72 35 41 1 73 35 77 1 74 37 42 1 75 37 48 1 76 37 78 1 77 38 44 1 78 38 49 1 79 38 79 1 80 39 40 1 81 39 46 1 82 39 80 1 83 41 43 1 84 41 81 1 85 41 82 1 86 42 45 1 87 42 83 1 88 42 84 1 89 44 85 1 90 44 86 1 91 46 47 1 92 46 87 1 93 46 88 1 94 47 89 1