@MOLECULE (2s,3r,4s,5r)-3,4,5-trihydroxy-6-oxo-2-piperidinecarboxylic acid 22 22 0 0 0 SMALL USER_CHARGES @ATOM 1 O1 -0.9058 2.1032 0.7472 O.3 1 <1> -0.5258 2 O2 1.5506 2.2445 -0.6607 O.3 1 <1> -0.5353 3 O3 3.1282 -0.0713 0.2724 O.3 1 <1> -0.5371 4 O4 1.7903 -2.4558 -0.0903 O.2 1 <1> -0.5123 5 O5 -2.9552 0.6791 -0.4073 O.3 1 <1> -0.5778 6 O6 -2.9236 -1.5423 -0.1840 O.2 1 <1> -0.4685 7 N1 -0.1713 -1.4322 0.2382 N.am 1 <1> -0.5927 8 C1 -0.3693 1.0776 -0.0546 C.3 1 <1> 0.1171 9 C2 1.1524 1.1674 0.1608 C.3 1 <1> 0.1086 10 C3 -0.9688 -0.2453 0.5057 C.3 1 <1> -0.0441 11 C4 1.8689 -0.0910 -0.3595 C.3 1 <1> 0.0064 12 C5 1.1753 -1.4090 -0.0445 C.2 1 <1> 0.5349 13 C6 -2.3602 -0.4909 -0.0633 C.2 1 <1> 0.6070 14 H1 -0.6254 1.2413 -1.1256 H 1 <1> 0.1594 15 H2 1.4086 1.3856 1.2229 H 1 <1> 0.1643 16 H3 -1.0860 -0.1120 1.6286 H 1 <1> 0.1948 17 H4 2.0346 -0.0196 -1.4662 H 1 <1> 0.1721 18 H5 -0.6294 -2.3322 0.3927 H 1 <1> 0.3443 19 H6 -1.8088 2.3389 0.4327 H 1 <1> 0.3352 20 H7 2.4824 2.4888 -0.4632 H 1 <1> 0.3320 21 H8 3.5519 -0.9648 0.2200 H 1 <1> 0.3469 22 H9 -3.8776 0.5720 -0.7553 H 1 <1> 0.3706 @BOND 1 17 11 1 2 14 8 1 3 22 5 1 4 2 20 1 5 2 9 1 6 5 13 1 7 11 12 1 8 11 9 1 9 11 3 1 10 6 13 2 11 4 12 2 12 13 10 1 13 8 9 1 14 8 10 1 15 8 1 1 16 12 7 am 17 9 15 1 18 21 3 1 19 7 18 1 20 7 10 1 21 19 1 1 22 10 16 1