@MOLECULE 2-acetamido-3-o-[(1r)-1-carboxyethyl]-2-deoxy-beta-d-glucopyranose 39 39 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.4496 -1.4681 -0.5110 C.3 1 UNL1111111111 0.9153 2 C 0.1393 -0.7418 -0.0650 C.3 1 UNL1111111111 0.9117 3 C 0.2533 0.7414 -0.4599 C.3 1 UNL1111111111 -1.3935 4 C 1.5436 1.3383 0.1624 C.3 1 UNL1111111111 1.2224 5 C 2.7733 0.4688 -0.1678 C.3 1 UNL1111111111 -1.3518 6 C 3.9898 0.8613 0.6857 C.3 1 UNL1111111111 0.5462 7 C -1.5612 -2.4960 -0.0001 C.2 1 UNL1111111111 1.1458 8 C -2.7133 -3.1645 -0.6874 C.3 1 UNL1111111111 0.1693 9 C -1.9644 1.6674 -0.5256 C.3 1 UNL1111111111 -0.2788 10 C -3.0417 1.2506 0.4683 C.2 1 UNL1111111111 2.3815 11 C -2.1091 3.1523 -0.8339 C.3 1 UNL1111111111 -0.3801 12 O 1.4403 -2.8045 -0.1714 O.3 1 UNL1111111111 -1.0199 13 O -0.7518 1.5017 0.1886 O.3 1 UNL1111111111 -0.5980 14 O 1.8045 2.5825 -0.4474 O.3 1 UNL1111111111 -0.7488 15 O 2.5166 -0.8683 0.2175 O.3 1 UNL1111111111 -0.2183 16 O 5.1490 0.2617 0.1533 O.3 1 UNL1111111111 -0.8107 17 O -1.1189 -2.8372 1.0778 O.2 1 UNL1111111111 -1.0722 18 O -3.1926 1.5730 1.6101 O.2 1 UNL1111111111 -1.2640 19 O -3.9157 0.4087 -0.1524 O.3 1 UNL1111111111 -1.2266 20 N -1.0102 -1.4048 -0.6629 N.am 1 UNL1111111111 -1.4948 21 H 1.6577 -1.4516 -1.5988 H 1 UNL1111111111 0.0553 22 H 0.0529 -0.8101 1.0618 H 1 UNL1111111111 0.1200 23 H 0.2296 0.8988 -1.5570 H 1 UNL1111111111 0.4652 24 H 1.4129 1.4837 1.2591 H 1 UNL1111111111 0.0403 25 H 3.0219 0.5155 -1.2517 H 1 UNL1111111111 0.4116 26 H 4.1943 1.9477 0.6210 H 1 UNL1111111111 0.1508 27 H 3.8695 0.5511 1.7402 H 1 UNL1111111111 0.0822 28 H -3.0521 -4.0342 -0.0976 H 1 UNL1111111111 -0.0165 29 H -3.5720 -2.4858 -0.7934 H 1 UNL1111111111 0.0144 30 H -2.4450 -3.5366 -1.6847 H 1 UNL1111111111 -0.0117 31 H -2.0080 1.0456 -1.4463 H 1 UNL1111111111 0.3656 32 H -2.0507 3.7567 0.0851 H 1 UNL1111111111 0.1642 33 H -1.3055 3.4963 -1.4974 H 1 UNL1111111111 0.1066 34 H -3.0658 3.3784 -1.3201 H 1 UNL1111111111 0.1290 35 H 1.0727 -2.9599 0.7377 H 1 UNL1111111111 0.5040 36 H 1.0683 3.2045 -0.2535 H 1 UNL1111111111 0.4843 37 H 5.0239 -0.7134 0.1130 H 1 UNL1111111111 0.3989 38 H -4.6511 0.0997 0.4305 H 1 UNL1111111111 0.5326 39 H -1.2862 -1.1487 -1.5914 H 1 UNL1111111111 0.5691 @BOND 1 1 2 1 2 1 12 1 3 1 15 1 4 1 21 1 5 2 3 1 6 2 20 1 7 2 22 1 8 3 4 1 9 3 13 1 10 3 23 1 11 4 5 1 12 4 14 1 13 4 24 1 14 5 6 1 15 5 15 1 16 5 25 1 17 6 16 1 18 6 26 1 19 6 27 1 20 7 8 1 21 7 17 2 22 7 20 am 23 8 28 1 24 8 29 1 25 8 30 1 26 9 10 1 27 9 11 1 28 9 13 1 29 9 31 1 30 10 18 2 31 10 19 1 32 11 32 1 33 11 33 1 34 11 34 1 35 12 35 1 36 14 36 1 37 16 37 1 38 19 38 1 39 20 39 1