@MOLECULE 3-o-(2-o-acetyl-6-deoxy-alpha-l-mannopyranosyl)-4-[(carboxyacetyl)amino]-4,6-dideoxy-beta-d-glucopyranose 57 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1991 0.8717 0.1984 O.3 1 UNL1111111111 -0.4542 2 O 1.0949 0.6780 -1.7038 O.3 1 UNL1111111111 -0.4311 3 O -4.1035 1.8843 0.3684 O.3 1 UNL1111111111 -0.4800 4 O 3.1942 1.7324 0.0114 O.3 1 UNL1111111111 -0.4131 5 O -1.0663 3.5369 -0.7143 O.3 1 UNL1111111111 -0.5520 6 O 3.6756 -0.6950 1.1827 O.3 1 UNL1111111111 -0.5357 7 O 2.7518 -2.4437 -0.8656 O.3 1 UNL1111111111 -0.5414 8 O -3.6632 4.0817 0.5339 O.3 1 UNL1111111111 -0.5610 9 O -2.1341 -2.2048 1.4616 O.2 1 UNL1111111111 -0.4863 10 O 4.1087 1.8465 2.0650 O.2 1 UNL1111111111 -0.5368 11 O -1.0703 -5.4011 0.8093 O.3 1 UNL1111111111 -0.5376 12 O 0.6007 -3.9279 0.6792 O.2 1 UNL1111111111 -0.5118 13 N -2.1331 -1.1108 -0.5247 N.am 1 UNL1111111111 -0.5976 14 C -1.4205 1.2412 -0.4122 C.3 1 UNL1111111111 0.0645 15 C -2.4155 0.1769 0.1126 C.3 1 UNL1111111111 -0.0027 16 C -1.8116 2.6423 0.0860 C.3 1 UNL1111111111 0.0184 17 C 0.9604 1.3229 -0.4796 C.3 1 UNL1111111111 0.2936 18 C -3.8759 0.6059 -0.2052 C.3 1 UNL1111111111 0.1343 19 C 2.0835 1.0075 0.5328 C.3 1 UNL1111111111 -0.0039 20 C 2.4249 -0.4934 0.5715 C.3 1 UNL1111111111 0.0566 21 C 2.5785 -1.0546 -0.8547 C.3 1 UNL1111111111 0.0916 22 C -3.3124 2.9242 -0.1667 C.3 1 UNL1111111111 0.3101 23 C 1.2961 -0.7293 -1.6594 C.3 1 UNL1111111111 0.0821 24 C -4.8957 -0.2845 0.4900 C.3 1 UNL1111111111 -0.4600 25 C 1.4401 -1.1325 -3.1194 C.3 1 UNL1111111111 -0.4644 26 C -1.9251 -2.2230 0.2704 C.2 1 UNL1111111111 0.5994 27 C 4.1838 2.0671 0.8819 C.2 1 UNL1111111111 0.6556 28 C -1.4988 -3.4830 -0.4642 C.3 1 UNL1111111111 -0.4526 29 C 5.2846 2.7382 0.1407 C.3 1 UNL1111111111 -0.5088 30 C -0.5253 -4.2369 0.3923 C.2 1 UNL1111111111 0.6833 31 H -1.3189 1.2298 -1.5207 H 1 UNL1111111111 0.1543 32 H -2.2927 0.0840 1.2323 H 1 UNL1111111111 0.2058 33 H -1.5351 2.7878 1.1529 H 1 UNL1111111111 0.1594 34 H 0.8968 2.3980 -0.7695 H 1 UNL1111111111 0.1764 35 H -4.0531 0.6634 -1.3009 H 1 UNL1111111111 0.1208 36 H 1.8199 1.3901 1.5471 H 1 UNL1111111111 0.1707 37 H 1.6552 -1.0560 1.1517 H 1 UNL1111111111 0.1474 38 H 3.5017 -0.6709 -1.3439 H 1 UNL1111111111 0.1731 39 H -3.5671 3.1262 -1.2272 H 1 UNL1111111111 0.1417 40 H 0.4108 -1.1975 -1.1814 H 1 UNL1111111111 0.1171 41 H -1.8518 -1.0861 -1.4917 H 1 UNL1111111111 0.3119 42 H -4.7841 -1.3325 0.1880 H 1 UNL1111111111 0.1626 43 H -5.9207 0.0345 0.2636 H 1 UNL1111111111 0.1595 44 H -4.7818 -0.2457 1.5837 H 1 UNL1111111111 0.1724 45 H 2.1653 -0.4855 -3.6341 H 1 UNL1111111111 0.1665 46 H 1.8110 -2.1650 -3.1983 H 1 UNL1111111111 0.1728 47 H 0.4954 -1.0504 -3.6630 H 1 UNL1111111111 0.1397 48 H -1.2908 4.4648 -0.4755 H 1 UNL1111111111 0.3356 49 H 3.7466 -0.1778 2.0182 H 1 UNL1111111111 0.3351 50 H 2.1685 -2.8895 -0.2109 H 1 UNL1111111111 0.3365 51 H -4.0796 3.8621 1.3993 H 1 UNL1111111111 0.3479 52 H -1.0380 -3.2800 -1.4537 H 1 UNL1111111111 0.1934 53 H -2.4085 -4.0993 -0.6697 H 1 UNL1111111111 0.2130 54 H 4.9956 3.0270 -0.8827 H 1 UNL1111111111 0.1879 55 H 5.6229 3.6413 0.6718 H 1 UNL1111111111 0.1846 56 H 6.1532 2.0613 0.0569 H 1 UNL1111111111 0.1932 57 H -0.4808 -5.9245 1.4117 H 1 UNL1111111111 0.3624 @BOND 1 1 14 1 2 1 17 1 3 2 17 1 4 2 23 1 5 3 18 1 6 3 22 1 7 4 19 1 8 4 27 1 9 5 16 1 10 5 48 1 11 6 20 1 12 6 49 1 13 7 21 1 14 7 50 1 15 8 22 1 16 8 51 1 17 9 26 2 18 10 27 2 19 11 30 1 20 11 57 1 21 12 30 2 22 13 15 1 23 13 26 am 24 13 41 1 25 14 15 1 26 14 16 1 27 14 31 1 28 15 18 1 29 15 32 1 30 16 22 1 31 16 33 1 32 17 19 1 33 17 34 1 34 18 24 1 35 18 35 1 36 19 20 1 37 19 36 1 38 20 21 1 39 20 37 1 40 21 23 1 41 21 38 1 42 22 39 1 43 23 25 1 44 23 40 1 45 24 42 1 46 24 43 1 47 24 44 1 48 25 45 1 49 25 46 1 50 25 47 1 51 26 28 1 52 27 29 1 53 28 30 1 54 28 52 1 55 28 53 1 56 29 54 1 57 29 55 1 58 29 56 1