@MOLECULE (2s,3r,4r,5r)-5-acetamido-2,3,4-trihydroxy-6-oxohexanamide 30 29 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.6439 1.8365 -0.3392 O.3 1 UNL1111111111 -0.5527 2 O 0.6296 -0.6528 1.0119 O.3 1 UNL1111111111 -0.8735 3 O 2.5874 -1.5347 -1.4706 O.3 1 UNL1111111111 -0.3104 4 O -1.7389 3.0343 -0.2025 O.2 1 UNL1111111111 -0.5911 5 O 4.0537 -0.9150 0.6479 O.2 1 UNL1111111111 -0.6561 6 O -3.1276 -0.9140 1.4480 O.2 1 UNL1111111111 -0.5975 7 N -2.2674 -0.4483 -0.5867 N.am 1 UNL1111111111 -0.0985 8 N 2.9479 1.0022 1.1468 N.am 1 UNL1111111111 -0.9061 9 C -0.0947 0.7161 -0.7582 C.3 1 UNL1111111111 0.8694 10 C 0.7535 -0.5239 -0.3858 C.3 1 UNL1111111111 0.3686 11 CA -1.4794 0.6606 -0.0573 C.3 1 UNL1111111111 -0.4929 12 C 2.2319 -0.3510 -0.7960 C.3 1 UNL1111111111 -1.1116 13 C -2.2781 1.9528 -0.2095 C.2 1 UNL1111111111 0.4056 14 C 3.1527 -0.1277 0.4091 C.2 1 UNL1111111111 1.1752 15 C -3.0127 -1.2388 0.2877 C.2 1 UNL1111111111 0.6129 16 C -3.6501 -2.4543 -0.3164 C.3 1 UNL1111111111 -1.1244 17 H -0.2056 0.7947 -1.8654 H 1 UNL1111111111 -0.0050 18 H 0.3370 -1.4402 -0.8705 H 1 UNL1111111111 0.0901 19 HA -1.3073 0.5151 1.0618 H 1 UNL1111111111 0.2631 20 H 2.3649 0.4674 -1.5443 H 1 UNL1111111111 0.3065 21 H -2.1102 -0.7184 -1.5416 H 1 UNL1111111111 0.1444 22 H -3.3671 1.8617 -0.2967 H 1 UNL1111111111 0.1564 23 H 0.0476 2.6266 -0.2468 H 1 UNL1111111111 0.3771 24 H 1.0587 -1.4770 1.3282 H 1 UNL1111111111 0.4647 25 H 3.3564 -1.9762 -1.0239 H 1 UNL1111111111 0.2864 26 H 2.1172 1.5528 0.9928 H 1 UNL1111111111 0.3974 27 H 3.5021 1.1941 1.9558 H 1 UNL1111111111 0.4216 28 H -3.0513 -3.3521 -0.0901 H 1 UNL1111111111 0.2758 29 H -4.6435 -2.6242 0.1332 H 1 UNL1111111111 0.3505 30 H -3.7829 -2.4031 -1.4030 H 1 UNL1111111111 0.3541 @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 13 2 8 5 14 2 9 6 15 2 10 7 11 1 11 7 15 am 12 7 21 1 13 8 14 am 14 8 26 1 15 8 27 1 16 9 10 1 17 9 11 1 18 9 17 1 19 10 12 1 20 10 18 1 21 11 13 1 22 11 19 1 23 12 14 1 24 12 20 1 25 13 22 1 26 15 16 1 27 16 28 1 28 16 29 1 29 16 30 1