@MOLECULE 2-acetamido-3-o-(2-acetamido-2-deoxy-alpha-d-galactopyranosyl)-2-deoxy-beta-d-galactopyranose 57 58 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.2150 -1.2686 0.0469 C.3 1 UNL1111111111 -0.0308 2 C 2.8635 -0.2968 1.0679 C.3 1 UNL1111111111 0.0854 3 C 3.3757 0.9849 0.3543 C.3 1 UNL1111111111 0.0401 4 C 2.2324 1.5965 -0.4621 C.3 1 UNL1111111111 0.0063 5 C 2.6096 2.8124 -1.3152 C.3 1 UNL1111111111 -0.0102 6 C 1.5891 -3.6271 0.2942 C.2 1 UNL1111111111 0.6150 7 C 0.7189 -4.6354 0.9843 C.3 1 UNL1111111111 -0.5176 8 N 1.4527 -2.3141 0.7188 N.am 1 UNL1111111111 -0.5896 9 O -1.6814 -1.8261 0.7808 O.3 1 UNL1111111111 -0.5453 10 O 3.9355 -0.9207 1.7144 O.3 1 UNL1111111111 -0.5113 11 O 4.4698 0.6522 -0.4635 O.3 1 UNL1111111111 -0.5341 12 O 1.8243 0.6392 -1.4367 O.3 1 UNL1111111111 -0.4647 13 C 1.2359 -0.5058 -0.8881 C.3 1 UNL1111111111 0.2729 14 O 1.4213 3.2822 -1.9280 O.3 1 UNL1111111111 -0.5625 15 O 2.3892 -3.9102 -0.5758 O.2 1 UNL1111111111 -0.5534 16 C -3.2608 1.2409 -0.3045 C.3 1 UNL1111111111 0.3338 17 C -1.7721 1.1453 0.1539 C.3 1 UNL1111111111 -0.0491 18 C -1.0827 0.0361 -0.6635 C.3 1 UNL1111111111 0.0279 19 C -1.8477 -1.3007 -0.5129 C.3 1 UNL1111111111 0.0551 20 C -3.3444 -1.0793 -0.8224 C.3 1 UNL1111111111 0.0197 21 C -4.1977 -2.2965 -0.4030 C.3 1 UNL1111111111 -0.0039 22 C -0.9915 3.2501 1.1145 C.2 1 UNL1111111111 0.6246 23 C -0.1737 4.4927 0.9334 C.3 1 UNL1111111111 -0.5279 24 N -1.1010 2.4263 0.0011 N.am 1 UNL1111111111 -0.6072 25 O -3.9782 2.1623 0.4256 O.3 1 UNL1111111111 -0.5039 26 O 0.1770 -0.1250 -0.0430 O.3 1 UNL1111111111 -0.4300 27 O -3.8413 -0.0353 -0.0110 O.3 1 UNL1111111111 -0.4671 28 O -3.5941 -3.4813 -0.8688 O.3 1 UNL1111111111 -0.5367 29 O -1.5677 2.9583 2.1462 O.2 1 UNL1111111111 -0.5607 30 H 3.0318 -1.7339 -0.5756 H 1 UNL1111111111 0.1913 31 H 2.1659 -0.0562 1.9004 H 1 UNL1111111111 0.1642 32 H 3.8180 1.6999 1.0900 H 1 UNL1111111111 0.1693 33 H 1.3693 1.8408 0.2001 H 1 UNL1111111111 0.1614 34 H 3.3619 2.5686 -2.0852 H 1 UNL1111111111 0.1421 35 H 2.9572 3.6649 -0.7094 H 1 UNL1111111111 0.1514 36 H -0.1799 -4.8493 0.3889 H 1 UNL1111111111 0.1752 37 H 1.2672 -5.5872 1.0913 H 1 UNL1111111111 0.1882 38 H 0.3965 -4.3254 1.9857 H 1 UNL1111111111 0.1739 39 H 0.6273 -2.0094 1.2253 H 1 UNL1111111111 0.3346 40 H -2.1075 -1.2335 1.4454 H 1 UNL1111111111 0.3361 41 H 4.7009 -1.0182 1.0992 H 1 UNL1111111111 0.3283 42 H 4.1658 0.1909 -1.2780 H 1 UNL1111111111 0.3262 43 H 0.9128 -1.0876 -1.7723 H 1 UNL1111111111 0.1443 44 H 1.1432 2.6532 -2.6295 H 1 UNL1111111111 0.3285 45 H -3.4309 1.5150 -1.3621 H 1 UNL1111111111 0.1413 46 H -1.7658 0.8546 1.2459 H 1 UNL1111111111 0.1892 47 H -0.9753 0.3190 -1.7323 H 1 UNL1111111111 0.1381 48 H -1.3996 -2.0913 -1.1567 H 1 UNL1111111111 0.1603 49 H -3.4946 -0.8385 -1.8966 H 1 UNL1111111111 0.1377 50 H -5.1867 -2.2881 -0.8946 H 1 UNL1111111111 0.1511 51 H -4.3340 -2.3377 0.6925 H 1 UNL1111111111 0.1377 52 H -0.8359 5.3561 0.7504 H 1 UNL1111111111 0.1875 53 H 0.3944 4.7182 1.8506 H 1 UNL1111111111 0.1867 54 H 0.5347 4.4467 0.0932 H 1 UNL1111111111 0.1820 55 H -0.5158 2.5701 -0.8113 H 1 UNL1111111111 0.3284 56 H -3.7006 2.1910 1.3758 H 1 UNL1111111111 0.3485 57 H -2.7573 -3.6396 -0.3786 H 1 UNL1111111111 0.3216 @BOND 1 1 2 1 2 1 8 1 3 1 13 1 4 1 30 1 5 2 3 1 6 2 10 1 7 2 31 1 8 3 4 1 9 3 11 1 10 3 32 1 11 4 5 1 12 4 12 1 13 4 33 1 14 5 14 1 15 5 34 1 16 5 35 1 17 6 7 1 18 6 8 am 19 6 15 2 20 7 36 1 21 7 37 1 22 7 38 1 23 8 39 1 24 9 19 1 25 9 40 1 26 10 41 1 27 11 42 1 28 12 13 1 29 13 26 1 30 13 43 1 31 14 44 1 32 16 17 1 33 16 25 1 34 16 27 1 35 16 45 1 36 17 18 1 37 17 24 1 38 17 46 1 39 18 19 1 40 18 26 1 41 18 47 1 42 19 20 1 43 19 48 1 44 20 21 1 45 20 27 1 46 20 49 1 47 21 28 1 48 21 50 1 49 21 51 1 50 22 23 1 51 22 24 am 52 22 29 2 53 23 52 1 54 23 53 1 55 23 54 1 56 24 55 1 57 25 56 1 58 28 57 1