@MOLECULE 2-acetamido-2-deoxy-3-o-beta-d-galactopyranosyl-beta-d-galactopyranose 51 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0583 -0.0747 0.6184 O.3 1 UNL1111111111 -0.3660 2 O 3.8303 0.5724 0.0770 O.3 1 UNL1111111111 -0.4771 3 O -1.6720 0.8981 -0.6014 O.3 1 UNL1111111111 -0.4502 4 O 1.7432 1.2813 1.9074 O.3 1 UNL1111111111 -0.5011 5 O -1.9080 -2.0941 1.4953 O.3 1 UNL1111111111 -0.5746 6 O -4.5130 -0.8817 1.7781 O.3 1 UNL1111111111 -0.5628 7 O 4.2882 -1.5009 -0.6525 O.3 1 UNL1111111111 -0.5286 8 O -4.0564 1.6083 0.9153 O.3 1 UNL1111111111 -0.5419 9 O 5.0261 3.1521 0.1853 O.3 1 UNL1111111111 -0.5439 10 O -4.1598 2.4239 -2.5575 O.3 1 UNL1111111111 -0.5462 11 O 0.8982 -3.2991 0.5647 O.2 1 UNL1111111111 -0.5408 12 N 1.4319 -1.9402 -1.1642 N.am 1 UNL1111111111 -0.6140 13 C 1.0161 0.3099 -0.2178 C.3 1 UNL1111111111 0.0236 14 C 1.9670 -0.9135 -0.2761 C.3 1 UNL1111111111 -0.0620 15 C 1.6587 1.5073 0.5277 C.3 1 UNL1111111111 0.0711 16 C -1.2720 -0.3373 -0.0345 C.3 1 UNL1111111111 0.2545 17 C 3.0697 1.7700 -0.0287 C.3 1 UNL1111111111 0.0134 18 C -2.1902 -0.7623 1.1297 C.3 1 UNL1111111111 0.0413 19 C -3.6515 -0.7825 0.6600 C.3 1 UNL1111111111 0.0671 20 C 3.3725 -0.4648 -0.7711 C.3 1 UNL1111111111 0.3259 21 C -4.0334 0.5507 -0.0156 C.3 1 UNL1111111111 0.0674 22 C -2.9965 0.9234 -1.0941 C.3 1 UNL1111111111 0.0515 23 C 3.8500 2.7568 0.8541 C.3 1 UNL1111111111 -0.0000 24 C -3.1551 2.3838 -1.5668 C.3 1 UNL1111111111 -0.0095 25 C 0.9952 -3.1485 -0.6352 C.2 1 UNL1111111111 0.6240 26 C 0.6555 -4.2142 -1.6354 C.3 1 UNL1111111111 -0.5295 27 H 0.6725 0.6148 -1.2260 H 1 UNL1111111111 0.1479 28 H 2.0581 -1.3383 0.7676 H 1 UNL1111111111 0.1958 29 H 0.9958 2.4034 0.4672 H 1 UNL1111111111 0.1741 30 H -1.1626 -1.0931 -0.8372 H 1 UNL1111111111 0.1212 31 H 3.0533 2.1067 -1.0854 H 1 UNL1111111111 0.1400 32 H -2.0410 -0.1079 2.0208 H 1 UNL1111111111 0.1734 33 H -3.8504 -1.6577 0.0008 H 1 UNL1111111111 0.1441 34 H 3.4240 -0.1635 -1.8365 H 1 UNL1111111111 0.1349 35 H -5.0567 0.4858 -0.4536 H 1 UNL1111111111 0.1381 36 H -3.0684 0.2242 -1.9587 H 1 UNL1111111111 0.1329 37 H 1.5991 -1.8312 -2.1510 H 1 UNL1111111111 0.3099 38 H 4.1070 2.3136 1.8344 H 1 UNL1111111111 0.1442 39 H 3.2959 3.7017 1.0050 H 1 UNL1111111111 0.1535 40 H -2.2458 2.7298 -2.0947 H 1 UNL1111111111 0.1503 41 H -3.3839 3.0762 -0.7393 H 1 UNL1111111111 0.1519 42 H 2.1813 0.4209 2.0892 H 1 UNL1111111111 0.3178 43 H -0.9306 -2.2523 1.5123 H 1 UNL1111111111 0.3606 44 H -4.1925 -1.5991 2.3739 H 1 UNL1111111111 0.3471 45 H 4.5205 -1.6803 0.2879 H 1 UNL1111111111 0.3404 46 H -4.3704 1.2703 1.7882 H 1 UNL1111111111 0.3429 47 H 5.5807 2.3653 -0.0032 H 1 UNL1111111111 0.3252 48 H -5.0465 2.4306 -2.1432 H 1 UNL1111111111 0.3165 49 H 0.0379 -4.9959 -1.1586 H 1 UNL1111111111 0.1931 50 H 0.0972 -3.8393 -2.5004 H 1 UNL1111111111 0.1689 51 H 1.5661 -4.7109 -2.0023 H 1 UNL1111111111 0.1833 @BOND 1 1 13 1 2 1 16 1 3 2 17 1 4 2 20 1 5 3 16 1 6 3 22 1 7 4 15 1 8 4 42 1 9 5 18 1 10 5 43 1 11 6 19 1 12 6 44 1 13 7 20 1 14 7 45 1 15 8 21 1 16 8 46 1 17 9 23 1 18 9 47 1 19 10 24 1 20 10 48 1 21 11 25 2 22 12 14 1 23 12 25 am 24 12 37 1 25 13 14 1 26 13 15 1 27 13 27 1 28 14 20 1 29 14 28 1 30 15 17 1 31 15 29 1 32 16 18 1 33 16 30 1 34 17 23 1 35 17 31 1 36 18 19 1 37 18 32 1 38 19 21 1 39 19 33 1 40 20 34 1 41 21 22 1 42 21 35 1 43 22 24 1 44 22 36 1 45 23 38 1 46 23 39 1 47 24 40 1 48 24 41 1 49 25 26 1 50 26 49 1 51 26 50 1 52 26 51 1