@MOLECULE (2xi)-2-acetamido-2-deoxy-4-o-(2-o-methyl-beta-d-galactopyranosyl)-d-arabino-hexose 54 54 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.8987 1.2245 0.6854 O.3 1 UNL1111111111 -0.5021 2 O 0.7385 -0.9124 -0.0533 O.3 1 UNL1111111111 -0.4494 3 O 3.5754 -0.4040 1.6472 O.3 1 UNL1111111111 -0.3910 4 O 4.3234 0.2570 -1.4674 O.3 1 UNL1111111111 -0.5426 5 O 1.8305 1.2536 -2.0310 O.3 1 UNL1111111111 -0.5630 6 O -0.7464 0.6748 -1.3750 O.3 1 UNL1111111111 -0.5780 7 O -0.5405 -2.8764 1.7519 O.3 1 UNL1111111111 -0.5592 8 O -0.5621 3.3028 0.4629 O.3 1 UNL1111111111 -0.5539 9 O -0.3948 -4.7584 -0.3937 O.3 1 UNL1111111111 -0.5640 10 O -3.7660 -0.8385 -2.6637 O.2 1 UNL1111111111 -0.4389 11 O -4.3166 0.1529 1.7244 O.2 1 UNL1111111111 -0.5313 12 N -2.8959 1.0713 0.2260 N.am 1 UNL1111111111 -0.6203 13 C 2.9157 -0.2992 0.3965 C.3 1 UNL1111111111 -0.0123 14 C 3.5778 0.8254 -0.4189 C.3 1 UNL1111111111 0.0609 15 C 1.4518 -0.0696 0.8187 C.3 1 UNL1111111111 0.3180 16 C 2.5588 1.8317 -0.9860 C.3 1 UNL1111111111 0.0459 17 C 1.6534 2.2986 0.1570 C.3 1 UNL1111111111 0.0168 18 C -0.6365 -1.1045 0.2467 C.3 1 UNL1111111111 0.0241 19 C -1.3925 -0.5037 -0.9587 C.3 1 UNL1111111111 0.0979 20 C -0.8495 -2.6202 0.3951 C.3 1 UNL1111111111 0.1107 21 C 0.5979 3.3050 -0.3438 C.3 1 UNL1111111111 -0.0312 22 CA -2.8553 -0.1396 -0.5850 C.3 1 UNL1111111111 -0.0862 23 C 0.0884 -3.4270 -0.5132 C.3 1 UNL1111111111 -0.0424 24 C 4.7345 -1.2189 1.6093 C.3 1 UNL1111111111 -0.1908 25 C -3.6375 0.0728 -1.8868 C.2 1 UNL1111111111 0.3513 26 C -3.6182 1.0934 1.4099 C.2 1 UNL1111111111 0.6139 27 C -3.4975 2.3502 2.2217 C.3 1 UNL1111111111 -0.5292 28 H 2.9851 -1.2634 -0.1703 H 1 UNL1111111111 0.1718 29 H 4.3552 1.3388 0.1987 H 1 UNL1111111111 0.1653 30 H 1.2489 -0.3192 1.8890 H 1 UNL1111111111 0.1683 31 H 3.0806 2.6803 -1.4908 H 1 UNL1111111111 0.1661 32 H 2.2404 2.7111 1.0090 H 1 UNL1111111111 0.1454 33 H -0.9183 -0.5943 1.1988 H 1 UNL1111111111 0.1664 34 H -1.3548 -1.1625 -1.8576 H 1 UNL1111111111 0.1717 35 H -1.9158 -2.9057 0.2282 H 1 UNL1111111111 0.1522 36 H 0.2030 3.0343 -1.3493 H 1 UNL1111111111 0.1751 37 H 1.0033 4.3316 -0.3770 H 1 UNL1111111111 0.1351 38 HA -3.3384 -0.9969 -0.0273 H 1 UNL1111111111 0.2052 39 H 3.7381 0.1131 -2.2520 H 1 UNL1111111111 0.3396 40 H 1.0791 0.6854 -1.7129 H 1 UNL1111111111 0.3659 41 H 1.1316 -3.3986 -0.1500 H 1 UNL1111111111 0.1378 42 H 0.0452 -3.0936 -1.5628 H 1 UNL1111111111 0.1296 43 H 5.1858 -1.0475 2.5946 H 1 UNL1111111111 0.1462 44 H 5.4191 -0.9079 0.8123 H 1 UNL1111111111 0.1383 45 H 4.4514 -2.2703 1.4931 H 1 UNL1111111111 0.1282 46 H -0.3459 1.1393 -0.5939 H 1 UNL1111111111 0.3545 47 H -2.2192 1.7952 0.0066 H 1 UNL1111111111 0.3348 48 H -0.4998 -3.8470 1.9025 H 1 UNL1111111111 0.3383 49 H -0.3272 3.2082 1.4105 H 1 UNL1111111111 0.3261 50 H -4.0622 1.0643 -2.0653 H 1 UNL1111111111 0.1266 51 H -0.0059 -5.3271 -1.0837 H 1 UNL1111111111 0.3201 52 H -2.9132 3.1445 1.7413 H 1 UNL1111111111 0.1696 53 H -3.0368 2.1272 3.1963 H 1 UNL1111111111 0.1814 54 H -4.5001 2.7566 2.4339 H 1 UNL1111111111 0.1867 @BOND 1 1 15 1 2 1 17 1 3 2 15 1 4 2 18 1 5 3 13 1 6 3 24 1 7 4 14 1 8 4 39 1 9 5 16 1 10 5 40 1 11 6 19 1 12 6 46 1 13 7 20 1 14 7 48 1 15 8 21 1 16 8 49 1 17 9 23 1 18 9 51 1 19 10 25 2 20 11 26 2 21 12 22 1 22 12 26 am 23 12 47 1 24 13 14 1 25 13 15 1 26 13 28 1 27 14 16 1 28 14 29 1 29 15 30 1 30 16 17 1 31 16 31 1 32 17 21 1 33 17 32 1 34 18 19 1 35 18 20 1 36 18 33 1 37 19 22 1 38 19 34 1 39 20 23 1 40 20 35 1 41 21 36 1 42 21 37 1 43 22 25 1 44 22 38 1 45 23 41 1 46 23 42 1 47 24 43 1 48 24 44 1 49 24 45 1 50 25 50 1 51 26 27 1 52 27 52 1 53 27 53 1 54 27 54 1