@MOLECULE 2-acetamido-2-deoxy-l-galacturonic acid 29 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6421 -2.1688 0.5671 O.3 1 UNL1111111111 -0.5866 2 O 1.5369 -1.3405 -1.7197 O.3 1 UNL1111111111 -0.5304 3 O 2.0009 -1.6779 0.8797 O.3 1 UNL1111111111 -0.5791 4 O 2.1589 1.7881 -0.0046 O.3 1 UNL1111111111 -0.5366 5 O -3.6847 -0.8713 0.9169 O.2 1 UNL1111111111 -0.4321 6 O 3.7845 0.3649 0.5894 O.2 1 UNL1111111111 -0.4943 7 O -1.2504 2.0719 -1.3706 O.2 1 UNL1111111111 -0.5405 8 N -1.5653 0.6800 0.3758 N.am 1 UNL1111111111 -0.6038 9 C -0.5901 -1.3990 -0.6104 C.3 1 UNL1111111111 0.0933 10 C 0.7337 -0.6308 -0.8152 C.3 1 UNL1111111111 0.0793 11 CA -1.8173 -0.4516 -0.5093 C.3 1 UNL1111111111 -0.0697 12 C 1.4867 -0.4124 0.5161 C.3 1 UNL1111111111 0.0318 13 C -2.9979 -1.2768 0.0161 C.2 1 UNL1111111111 0.3475 14 C 2.6217 0.5770 0.3654 C.2 1 UNL1111111111 0.5898 15 C -1.3713 1.9427 -0.1697 C.2 1 UNL1111111111 0.6138 16 C -1.2603 3.0680 0.8148 C.3 1 UNL1111111111 -0.5250 17 H -0.7301 -2.1154 -1.4591 H 1 UNL1111111111 0.1496 18 H 0.5574 0.3440 -1.3466 H 1 UNL1111111111 0.1991 19 HA -2.0637 -0.0767 -1.5475 H 1 UNL1111111111 0.1952 20 H 0.7885 -0.0963 1.3330 H 1 UNL1111111111 0.1845 21 H -1.8221 0.5475 1.3457 H 1 UNL1111111111 0.3285 22 H -3.1819 -2.2397 -0.4706 H 1 UNL1111111111 0.1265 23 H 0.2456 -2.4409 0.8771 H 1 UNL1111111111 0.3562 24 H 1.9385 -2.1289 -1.2852 H 1 UNL1111111111 0.3317 25 H 2.9241 -1.6180 1.2256 H 1 UNL1111111111 0.3636 26 H -1.1686 4.0290 0.2808 H 1 UNL1111111111 0.1886 27 H -2.1391 3.1411 1.4687 H 1 UNL1111111111 0.1735 28 H -0.3679 2.9669 1.4485 H 1 UNL1111111111 0.1798 29 H 2.8736 2.4587 -0.1673 H 1 UNL1111111111 0.3661 @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