@MOLECULE 2-acetamido-6-o-(2-acetamido-2-deoxy-beta-d-glucopyranosyl)-2-deoxy-d-galactose 57 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3527 -1.5247 -0.2942 O.3 1 UNL1111111111 -0.4613 2 O -0.3921 -0.4166 -0.5484 O.3 1 UNL1111111111 -0.4351 3 O -4.4150 1.9499 0.3026 O.3 1 UNL1111111111 -0.5760 4 O -5.4814 -0.5786 1.1730 O.3 1 UNL1111111111 -0.5451 5 O -3.9284 -4.0282 0.4602 O.3 1 UNL1111111111 -0.5430 6 O 0.7987 -1.3168 -2.9399 O.3 1 UNL1111111111 -0.5318 7 O 3.3442 0.0661 -2.0775 O.3 1 UNL1111111111 -0.5637 8 O 2.7210 1.9917 -0.2582 O.3 1 UNL1111111111 -0.5592 9 O -2.2862 3.3436 -1.1622 O.2 1 UNL1111111111 -0.5684 10 O 1.9092 0.7072 2.6593 O.2 1 UNL1111111111 -0.4730 11 O 5.0810 -1.8879 1.4878 O.2 1 UNL1111111111 -0.5467 12 N -1.4003 1.9784 0.3963 N.am 1 UNL1111111111 -0.6082 13 N 4.4800 -0.0004 0.4008 N.am 1 UNL1111111111 -0.5941 14 C -2.2432 0.8711 -0.0488 C.3 1 UNL1111111111 -0.0377 15 C -3.6109 0.8557 0.6630 C.3 1 UNL1111111111 0.0723 16 C -4.4157 -0.4072 0.2637 C.3 1 UNL1111111111 0.0496 17 C -1.5487 -0.4892 0.2351 C.3 1 UNL1111111111 0.2970 18 C -3.5796 -1.6968 0.4054 C.3 1 UNL1111111111 0.0754 19 C -4.2518 -2.8789 -0.3040 C.3 1 UNL1111111111 -0.0176 20 C 0.4035 -1.5940 -0.6015 C.3 1 UNL1111111111 -0.0943 21 C 1.4334 -1.2364 -1.6843 C.3 1 UNL1111111111 0.0989 22 C 2.0350 0.1825 -1.5462 C.3 1 UNL1111111111 0.0904 23 C 2.1674 0.6981 -0.0978 C.3 1 UNL1111111111 0.0896 24 C -1.4377 3.1741 -0.3061 C.2 1 UNL1111111111 0.6322 25 CA 3.0826 -0.1738 0.7914 C.3 1 UNL1111111111 -0.0917 26 C -0.4239 4.2122 0.0703 C.3 1 UNL1111111111 -0.5206 27 C 2.9348 0.2103 2.2649 C.2 1 UNL1111111111 0.3514 28 C 5.3854 -1.0111 0.7052 C.2 1 UNL1111111111 0.6100 29 C 6.7406 -0.8607 0.0830 C.3 1 UNL1111111111 -0.5283 30 H -2.4102 0.9584 -1.1641 H 1 UNL1111111111 0.1936 31 H -3.5126 0.9379 1.7692 H 1 UNL1111111111 0.1565 32 H -4.8407 -0.2859 -0.7569 H 1 UNL1111111111 0.1451 33 H -1.3027 -0.6930 1.2961 H 1 UNL1111111111 0.1248 34 H -3.3810 -1.9409 1.4741 H 1 UNL1111111111 0.1642 35 H -0.6997 1.7864 1.0951 H 1 UNL1111111111 0.3210 36 H -5.3569 -2.7870 -0.2784 H 1 UNL1111111111 0.1523 37 H -3.9016 -2.9775 -1.3467 H 1 UNL1111111111 0.1302 38 H 0.8384 -1.8052 0.3869 H 1 UNL1111111111 0.1303 39 H -0.2094 -2.4601 -0.9194 H 1 UNL1111111111 0.1665 40 H 2.2486 -1.9955 -1.7549 H 1 UNL1111111111 0.1739 41 H 1.4394 0.9082 -2.1489 H 1 UNL1111111111 0.1530 42 H -4.0000 2.4950 -0.4125 H 1 UNL1111111111 0.3618 43 H -5.9598 0.2752 1.2822 H 1 UNL1111111111 0.3389 44 H 1.1636 0.8088 0.3798 H 1 UNL1111111111 0.1605 45 HA 2.7800 -1.2592 0.7070 H 1 UNL1111111111 0.1833 46 H -3.7238 -4.7824 -0.1230 H 1 UNL1111111111 0.3135 47 H -0.0878 -0.8896 -2.8924 H 1 UNL1111111111 0.3277 48 H 3.5398 0.8171 -2.6704 H 1 UNL1111111111 0.3305 49 H 0.5142 3.7985 0.4604 H 1 UNL1111111111 0.1708 50 H -0.1623 4.8297 -0.8077 H 1 UNL1111111111 0.1926 51 H -0.8372 4.8949 0.8297 H 1 UNL1111111111 0.1843 52 H 4.6117 0.5875 -0.4199 H 1 UNL1111111111 0.3386 53 H 2.9128 2.3981 0.6120 H 1 UNL1111111111 0.3261 54 H 3.7814 0.0027 2.9285 H 1 UNL1111111111 0.1438 55 H 7.1835 0.1279 0.2679 H 1 UNL1111111111 0.1769 56 H 7.4321 -1.6114 0.4985 H 1 UNL1111111111 0.1885 57 H 6.7058 -1.0150 -1.0055 H 1 UNL1111111111 0.1801 @BOND 1 1 17 1 2 1 18 1 3 2 17 1 4 2 20 1 5 3 15 1 6 3 42 1 7 4 16 1 8 4 43 1 9 5 19 1 10 5 46 1 11 6 21 1 12 6 47 1 13 7 22 1 14 7 48 1 15 8 23 1 16 8 53 1 17 9 24 2 18 10 27 2 19 11 28 2 20 12 14 1 21 12 24 am 22 12 35 1 23 13 25 1 24 13 28 am 25 13 52 1 26 14 15 1 27 14 17 1 28 14 30 1 29 15 16 1 30 15 31 1 31 16 18 1 32 16 32 1 33 17 33 1 34 18 19 1 35 18 34 1 36 19 36 1 37 19 37 1 38 20 21 1 39 20 38 1 40 20 39 1 41 21 22 1 42 21 40 1 43 22 23 1 44 22 41 1 45 23 25 1 46 23 44 1 47 24 26 1 48 25 27 1 49 25 45 1 50 26 49 1 51 26 50 1 52 26 51 1 53 27 54 1 54 28 29 1 55 29 55 1 56 29 56 1 57 29 57 1