@MOLECULE 2,3-diacetamido-2,3-dideoxy-d-mannuronic acid 35 34 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.8019 -1.5243 0.4868 O.3 1 UNL111111111 -0.6073 2 O 2.6222 1.4048 -0.7332 O.3 1 UNL111111111 -0.4783 3 O -0.7398 -0.3925 -3.3742 O.2 1 UNL111111111 -0.4144 4 O 3.1884 -1.1614 1.6716 O.3 1 UNL111111111 -0.5967 5 O 4.5230 -0.4667 0.0183 O.2 1 UNL111111111 -0.4593 6 O -1.2024 2.8841 -0.5950 O.2 1 UNL111111111 -0.5098 7 O -3.4318 -0.2513 0.7364 O.2 1 UNL111111111 -0.5358 8 N -0.5079 1.1076 0.6220 N.am 1 UNL111111111 -0.6237 9 N -1.7868 -1.5282 -0.1715 N.am 1 UNL111111111 -0.5997 10 C -0.1615 0.3837 -0.5987 C.3 1 UNL111111111 0.0336 11 C 1.1211 -0.4570 -0.3756 C.3 1 UNL111111111 0.1017 12 CA -1.3805 -0.4626 -1.0846 C.3 1 UNL111111111 -0.0814 13 C 2.2548 0.4337 0.1999 C.3 1 UNL111111111 0.0190 14 C -1.0985 -1.0758 -2.4508 C.2 1 UNL111111111 0.3192 15 C 3.4624 -0.4059 0.5707 C.2 1 UNL111111111 0.5801 16 C -1.1178 2.3617 0.4937 C.2 1 UNL111111111 0.6192 17 C -2.7896 -1.2807 0.7606 C.2 1 UNL111111111 0.6042 18 C -1.5776 2.9989 1.7697 C.3 1 UNL111111111 -0.5306 19 C -3.0581 -2.3950 1.7310 C.3 1 UNL111111111 -0.5320 20 H 0.0674 1.1422 -1.4173 H 1 UNL111111111 0.2166 21 H 1.4345 -0.9262 -1.3381 H 1 UNL111111111 0.1466 22 HA -2.2476 0.2648 -1.2056 H 1 UNL111111111 0.2173 23 H 1.8999 1.0419 1.0776 H 1 UNL111111111 0.2055 24 H -0.6532 0.5455 1.4451 H 1 UNL111111111 0.3088 25 H -1.0784 -2.2262 0.0277 H 1 UNL111111111 0.3253 26 H -1.2568 -2.1549 -2.5641 H 1 UNL111111111 0.1251 27 H 1.4534 -1.6342 1.2085 H 1 UNL111111111 0.3568 28 H 3.2461 1.0470 -1.4112 H 1 UNL111111111 0.3297 29 H -1.8389 4.0546 1.5815 H 1 UNL111111111 0.1909 30 H -2.4829 2.5027 2.1535 H 1 UNL111111111 0.1846 31 H -0.8138 2.9830 2.5559 H 1 UNL111111111 0.1713 32 H -3.7135 -2.0400 2.5432 H 1 UNL111111111 0.1879 33 H -3.5830 -3.2284 1.2400 H 1 UNL111111111 0.1850 34 H -2.1468 -2.7954 2.1891 H 1 UNL111111111 0.1679 35 H 3.9275 -1.7576 1.9503 H 1 UNL111111111 0.3726 @BOND 1 1 11 1 2 1 27 1 3 2 13 1 4 2 28 1 5 3 14 2 6 4 15 1 7 4 35 1 8 5 15 2 9 6 16 2 10 7 17 2 11 8 10 1 12 8 16 am 13 8 24 1 14 9 12 1 15 9 17 am 16 9 25 1 17 10 11 1 18 10 12 1 19 10 20 1 20 11 13 1 21 11 21 1 22 12 14 1 23 12 22 1 24 13 15 1 25 13 23 1 26 14 26 1 27 16 18 1 28 17 19 1 29 18 29 1 30 18 30 1 31 18 31 1 32 19 32 1 33 19 33 1 34 19 34 1