@MOLECULE 2-acetamido-4-o-(2-acetamido-2-deoxy-alpha-l-galactopyranosyl)-1,5-anhydro-2-deoxy-d-mannitol 56 57 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.1677 1.9349 -1.5839 O.2 1 UNL1111111111 -0.5732 2 C 3.3198 2.1520 -0.3949 C.2 1 UNL1111111111 0.6207 3 C 3.5843 3.5096 0.1755 C.3 1 UNL1111111111 -0.5255 4 N 3.2071 1.1042 0.5003 N.am 1 UNL1111111111 -0.5941 5 C 2.8381 -0.2105 -0.0122 C.3 1 UNL1111111111 -0.0138 6 C 2.8644 -1.2795 1.1044 C.3 1 UNL1111111111 0.0794 7 O 4.1638 -1.4206 1.6041 O.3 1 UNL1111111111 -0.5387 8 C 2.3590 -2.6282 0.5334 C.3 1 UNL1111111111 0.0429 9 C 0.9497 -2.4276 -0.0336 C.3 1 UNL1111111111 -0.0017 10 C 0.3943 -3.6537 -0.7681 C.3 1 UNL1111111111 -0.0106 11 O -0.8895 -3.3487 -1.2790 O.3 1 UNL1111111111 -0.5434 12 O 1.0137 -1.4346 -1.0558 O.3 1 UNL1111111111 -0.4730 13 C 1.4025 -0.1627 -0.6163 C.3 1 UNL1111111111 0.2881 14 O 0.5926 0.2788 0.4438 O.3 1 UNL1111111111 -0.4361 15 C -0.7421 0.6044 0.1004 C.3 1 UNL1111111111 0.0140 16 C -1.6259 -0.0112 1.2126 C.3 1 UNL1111111111 0.1040 17 O -1.6146 -1.4053 1.1991 O.3 1 UNL1111111111 -0.5351 18 C -3.0828 0.5156 1.0839 C.3 1 UNL1111111111 -0.0154 19 N -3.6622 0.0736 -0.1841 N.am 1 UNL1111111111 -0.6286 20 C -4.8550 -0.6412 -0.2021 C.2 1 UNL1111111111 0.6115 21 O -5.3782 -0.9963 0.8309 O.2 1 UNL1111111111 -0.5189 22 C -5.3865 -0.9705 -1.5673 C.3 1 UNL1111111111 -0.5287 23 C -0.8515 2.1448 0.1856 C.3 1 UNL1111111111 0.0137 24 C -0.1889 2.8774 -0.9878 C.3 1 UNL1111111111 -0.0270 25 O 0.0579 4.2161 -0.6161 O.3 1 UNL1111111111 -0.5420 26 O -2.2159 2.5283 0.0747 O.3 1 UNL1111111111 -0.4132 27 C -3.0314 2.0553 1.1284 C.3 1 UNL1111111111 -0.0803 28 O 3.2595 -3.0637 -0.4573 O.3 1 UNL1111111111 -0.5460 29 H 4.2644 4.0744 -0.4829 H 1 UNL1111111111 0.1882 30 H 2.6383 4.0851 0.2079 H 1 UNL1111111111 0.2000 31 H 4.0148 3.5045 1.1813 H 1 UNL1111111111 0.1646 32 H 3.2912 1.2115 1.4957 H 1 UNL1111111111 0.3237 33 H 3.5526 -0.4907 -0.8363 H 1 UNL1111111111 0.1737 34 H 1.3129 0.4609 -1.5325 H 1 UNL1111111111 0.1630 35 H 4.7224 -1.9300 0.9700 H 1 UNL1111111111 0.3366 36 H 2.4112 -3.4344 1.2987 H 1 UNL1111111111 0.1673 37 H 0.2466 -2.0859 0.7677 H 1 UNL1111111111 0.1929 38 H 3.0828 -2.6004 -1.3082 H 1 UNL1111111111 0.3301 39 H 1.0456 -3.9771 -1.5999 H 1 UNL1111111111 0.1354 40 H 0.2124 -4.4997 -0.0806 H 1 UNL1111111111 0.1522 41 H -0.8312 -2.5412 -1.8335 H 1 UNL1111111111 0.3208 42 H -1.0115 0.2116 -0.8981 H 1 UNL1111111111 0.1400 43 H -1.2021 0.2151 2.2204 H 1 UNL1111111111 0.1604 44 H -0.4362 2.5106 1.1523 H 1 UNL1111111111 0.1510 45 H -1.9856 -1.7788 0.3661 H 1 UNL1111111111 0.3385 46 H -3.6913 0.1066 1.9391 H 1 UNL1111111111 0.1950 47 H -3.2998 0.5252 -1.0100 H 1 UNL1111111111 0.3152 48 H -4.0111 2.5164 0.9008 H 1 UNL1111111111 0.1591 49 H -2.6705 2.4304 2.1002 H 1 UNL1111111111 0.1321 50 H -4.8085 -1.7854 -2.0292 H 1 UNL1111111111 0.1832 51 H -6.4290 -1.3242 -1.4898 H 1 UNL1111111111 0.1902 52 H -5.3786 -0.1155 -2.2533 H 1 UNL1111111111 0.1691 53 H 0.8235 2.4876 -1.2166 H 1 UNL1111111111 0.1697 54 H -0.8134 2.8550 -1.8985 H 1 UNL1111111111 0.1328 55 H -0.7884 4.6689 -0.4164 H 1 UNL1111111111 0.3213 56 H 2.2735 -0.9626 1.9954 H 1 UNL1111111111 0.1649 @BOND 1 1 2 2 2 2 3 1 3 2 4 am 4 3 29 1 5 3 30 1 6 3 31 1 7 4 5 1 8 4 32 1 9 5 6 1 10 5 13 1 11 5 33 1 12 6 7 1 13 6 8 1 14 6 56 1 15 7 35 1 16 8 9 1 17 8 28 1 18 8 36 1 19 9 10 1 20 9 12 1 21 9 37 1 22 10 11 1 23 10 39 1 24 10 40 1 25 11 41 1 26 12 13 1 27 13 14 1 28 13 34 1 29 14 15 1 30 15 16 1 31 15 23 1 32 15 42 1 33 16 17 1 34 16 18 1 35 16 43 1 36 17 45 1 37 18 19 1 38 18 27 1 39 18 46 1 40 19 20 am 41 19 47 1 42 20 21 2 43 20 22 1 44 22 50 1 45 22 51 1 46 22 52 1 47 23 24 1 48 23 26 1 49 23 44 1 50 24 25 1 51 24 53 1 52 24 54 1 53 25 55 1 54 26 27 1 55 27 48 1 56 27 49 1 57 28 38 1