@MOLECULE 2-acetamido-2-deoxy-d-mannuronic acid 29 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3391 2.0140 -1.3329 O.3 1 UNL1111111111 -0.5677 2 O 2.2788 1.2224 -1.3285 O.3 1 UNL1111111111 -0.5555 3 O 3.4968 0.3075 0.8584 O.3 1 UNL1111111111 -0.5390 4 O 0.6439 -1.7141 0.2229 O.3 1 UNL1111111111 -0.5377 5 O -2.4648 2.2477 1.2449 O.2 1 UNL1111111111 -0.4165 6 O 2.8166 -2.1416 -0.1792 O.2 1 UNL1111111111 -0.4945 7 O -1.8878 -2.0635 0.4830 O.2 1 UNL1111111111 -0.5647 8 N -2.1883 0.0491 -0.2762 N.am 1 UNL1111111111 -0.5816 9 C 0.0929 0.8290 -0.6930 C.3 1 UNL1111111111 0.1098 10 C 1.5146 1.1020 -0.1450 C.3 1 UNL1111111111 0.0616 11 CA -0.9955 0.5706 0.3791 C.3 1 UNL1111111111 -0.0521 12 C 2.1252 0.0001 0.7489 C.3 1 UNL1111111111 0.0196 13 C -1.3286 1.8863 1.0915 C.2 1 UNL1111111111 0.3355 14 C 1.9446 -1.4027 0.1935 C.2 1 UNL1111111111 0.5890 15 C -2.5707 -1.2698 -0.1348 C.2 1 UNL1111111111 0.6244 16 C -3.8572 -1.6423 -0.8164 C.3 1 UNL1111111111 -0.5321 17 H 0.1155 0.0034 -1.4437 H 1 UNL1111111111 0.1620 18 H 1.5576 2.0808 0.3896 H 1 UNL1111111111 0.1474 19 HA -0.6270 -0.1805 1.1393 H 1 UNL1111111111 0.2059 20 H 1.7289 0.0543 1.7938 H 1 UNL1111111111 0.1739 21 H -2.7658 0.7329 -0.7462 H 1 UNL1111111111 0.3287 22 H -0.4781 2.4708 1.4615 H 1 UNL1111111111 0.1170 23 H 0.3033 2.2732 -2.0331 H 1 UNL1111111111 0.3446 24 H 3.2294 1.3504 -1.1004 H 1 UNL1111111111 0.3428 25 H 4.0561 -0.4095 0.4657 H 1 UNL1111111111 0.3497 26 H -4.1178 -2.6884 -0.5846 H 1 UNL1111111111 0.1888 27 H -4.6988 -1.0181 -0.4871 H 1 UNL1111111111 0.1769 28 H -3.7787 -1.5605 -1.9090 H 1 UNL1111111111 0.1773 29 H 0.3876 -2.6378 -0.0414 H 1 UNL1111111111 0.3864 @BOND 1 1 9 1 2 1 23 1 3 2 10 1 4 2 24 1 5 3 12 1 6 3 25 1 7 4 14 1 8 4 29 1 9 5 13 2 10 6 14 2 11 7 15 2 12 8 11 1 13 8 15 am 14 8 21 1 15 9 10 1 16 9 11 1 17 9 17 1 18 10 12 1 19 10 18 1 20 11 13 1 21 11 19 1 22 12 14 1 23 12 20 1 24 13 22 1 25 15 16 1 26 16 26 1 27 16 27 1 28 16 28 1