@MOLECULE 6-deoxy-alpha-l-galactopyranosyl-(1->2)-beta-d-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-d-glucopyranose 71 73 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.4770 -0.7891 -1.3930 O.3 1 UNL1111111111 -0.5074 2 C 4.1926 -0.1236 -0.1929 C.3 1 UNL1111111111 0.0386 3 C 3.6532 1.2988 -0.4317 C.3 1 UNL1111111111 0.0549 4 O 4.6316 2.1064 -1.0292 O.3 1 UNL1111111111 -0.5336 5 C 3.2088 1.9133 0.9149 C.3 1 UNL1111111111 0.0447 6 O 4.3500 2.0214 1.7373 O.3 1 UNL1111111111 -0.5551 7 C 2.1368 1.0122 1.5459 C.3 1 UNL1111111111 0.0885 8 C 1.7187 1.4660 2.9346 C.3 1 UNL1111111111 -0.4542 9 O 2.7223 -0.2792 1.7597 O.3 1 UNL1111111111 -0.4604 10 C 3.1489 -0.9425 0.6108 C.3 1 UNL1111111111 0.2710 11 O 2.0760 -1.1018 -0.3043 O.3 1 UNL1111111111 -0.4730 12 C 0.9991 -1.8717 0.1910 C.3 1 UNL1111111111 0.0111 13 C 1.2905 -3.3584 -0.1059 C.3 1 UNL1111111111 0.0606 14 O 2.1522 -3.8624 0.8796 O.3 1 UNL1111111111 -0.5278 15 C -0.0079 -4.1932 -0.1291 C.3 1 UNL1111111111 0.0307 16 O -0.5206 -4.2358 1.1836 O.3 1 UNL1111111111 -0.5355 17 C -1.0280 -3.5520 -1.0792 C.3 1 UNL1111111111 0.0356 18 C -2.3986 -4.2509 -1.0152 C.3 1 UNL1111111111 -0.0195 19 O -3.3039 -3.5804 -1.8571 O.3 1 UNL1111111111 -0.5287 20 O -1.2970 -2.2494 -0.5921 O.3 1 UNL1111111111 -0.5415 21 C -0.2031 -1.3360 -0.6171 C.3 1 UNL1111111111 0.3107 22 O -0.6575 -0.2380 0.1195 O.3 1 UNL1111111111 -0.3955 23 C -1.8096 0.4149 -0.4050 C.3 1 UNL1111111111 0.0209 24 C -2.8931 0.2113 0.6772 C.3 1 UNL1111111111 0.0675 25 O -3.4352 -1.0849 0.5594 O.3 1 UNL1111111111 -0.5689 26 C -4.0753 1.1712 0.4529 C.3 1 UNL1111111111 0.0527 27 C -5.0169 1.1951 1.6659 C.3 1 UNL1111111111 -0.0093 28 O -6.1820 1.9206 1.3472 O.3 1 UNL1111111111 -0.5361 29 O -3.5764 2.4969 0.3847 O.3 1 UNL1111111111 -0.4778 30 C -2.7368 2.7372 -0.7352 C.3 1 UNL1111111111 0.3249 31 O -2.4729 4.0959 -0.7401 O.3 1 UNL1111111111 -0.5179 32 C -1.4322 1.9040 -0.5354 C.3 1 UNL1111111111 -0.0430 33 N -0.5308 2.1105 -1.6587 N.am 1 UNL1111111111 -0.6066 34 C 0.6407 2.8319 -1.4677 C.2 1 UNL1111111111 0.6336 35 C 1.4841 3.0563 -2.6844 C.3 1 UNL1111111111 -0.5344 36 O 0.9392 3.2148 -0.3543 O.2 1 UNL1111111111 -0.5585 37 H 3.6711 -0.8355 -1.9526 H 1 UNL1111111111 0.3163 38 H 5.1784 -0.1113 0.3246 H 1 UNL1111111111 0.1660 39 H 2.8282 1.2969 -1.1771 H 1 UNL1111111111 0.1496 40 H 5.3081 2.3658 -0.3605 H 1 UNL1111111111 0.3324 41 H 2.8690 2.9688 0.7932 H 1 UNL1111111111 0.1893 42 H 4.4810 1.1916 2.2474 H 1 UNL1111111111 0.3265 43 H 1.2579 0.9040 0.8676 H 1 UNL1111111111 0.1564 44 H 1.1377 2.3962 2.8792 H 1 UNL1111111111 0.1618 45 H 1.1011 0.7045 3.4285 H 1 UNL1111111111 0.1577 46 H 2.5843 1.6578 3.5813 H 1 UNL1111111111 0.1619 47 H 3.5091 -1.9276 0.9806 H 1 UNL1111111111 0.1687 48 H 0.8582 -1.6931 1.2833 H 1 UNL1111111111 0.1745 49 H 1.8854 -3.4673 -1.0426 H 1 UNL1111111111 0.1688 50 H 1.6471 -4.0883 1.6984 H 1 UNL1111111111 0.3352 51 H 0.1976 -5.2618 -0.3624 H 1 UNL1111111111 0.1723 52 H -0.9852 -3.3910 1.3887 H 1 UNL1111111111 0.3285 53 H -0.6609 -3.4820 -2.1254 H 1 UNL1111111111 0.1480 54 H -2.3512 -5.2748 -1.4340 H 1 UNL1111111111 0.1564 55 H -2.7964 -4.2929 0.0159 H 1 UNL1111111111 0.1394 56 H -3.5054 -2.6881 -1.4896 H 1 UNL1111111111 0.3291 57 H 0.0232 -1.0724 -1.6686 H 1 UNL1111111111 0.1335 58 H -2.1270 -0.0242 -1.3735 H 1 UNL1111111111 0.1456 59 H -2.4533 0.3136 1.6960 H 1 UNL1111111111 0.1534 60 H -2.7051 -1.7298 0.4179 H 1 UNL1111111111 0.3438 61 H -4.6334 0.9262 -0.4776 H 1 UNL1111111111 0.1506 62 H -5.3886 0.1780 1.9030 H 1 UNL1111111111 0.1640 63 H -4.5372 1.6457 2.5531 H 1 UNL1111111111 0.1304 64 H -5.9345 2.8176 1.0301 H 1 UNL1111111111 0.3247 65 H -3.2734 2.5535 -1.6872 H 1 UNL1111111111 0.1364 66 H -2.0541 4.3942 0.1019 H 1 UNL1111111111 0.3408 67 H -0.9278 2.2352 0.4205 H 1 UNL1111111111 0.2059 68 H -0.8579 1.8612 -2.5743 H 1 UNL1111111111 0.3082 69 H 1.5099 2.2008 -3.3684 H 1 UNL1111111111 0.1690 70 H 1.1399 3.9369 -3.2466 H 1 UNL1111111111 0.1834 71 H 2.5325 3.2665 -2.3872 H 1 UNL1111111111 0.2102 @BOND 1 1 2 1 2 1 37 1 3 2 3 1 4 2 10 1 5 2 38 1 6 3 4 1 7 3 5 1 8 3 39 1 9 4 40 1 10 5 6 1 11 5 7 1 12 5 41 1 13 6 42 1 14 7 8 1 15 7 9 1 16 7 43 1 17 8 44 1 18 8 45 1 19 8 46 1 20 9 10 1 21 10 11 1 22 10 47 1 23 11 12 1 24 12 13 1 25 12 21 1 26 12 48 1 27 13 14 1 28 13 15 1 29 13 49 1 30 14 50 1 31 15 16 1 32 15 17 1 33 15 51 1 34 16 52 1 35 17 18 1 36 17 20 1 37 17 53 1 38 18 19 1 39 18 54 1 40 18 55 1 41 19 56 1 42 20 21 1 43 21 22 1 44 21 57 1 45 22 23 1 46 23 24 1 47 23 32 1 48 23 58 1 49 24 25 1 50 24 26 1 51 24 59 1 52 25 60 1 53 26 27 1 54 26 29 1 55 26 61 1 56 27 28 1 57 27 62 1 58 27 63 1 59 28 64 1 60 29 30 1 61 30 31 1 62 30 32 1 63 30 65 1 64 31 66 1 65 32 33 1 66 32 67 1 67 33 34 am 68 33 68 1 69 34 35 1 70 34 36 2 71 35 69 1 72 35 70 1 73 35 71 1