@MOLECULE 3-hydroxy-1,2-dimethyl-piperidine-2,3,5,6-tetraid-4-one 19 19 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.4346 -1.8143 -0.0014 O.3 1 UNL11111111 -0.2522 2 O -2.7160 0.5176 0.0057 O.2 1 UNL11111111 -0.3055 3 N 1.3585 0.5467 -0.0048 N.4 1 UNL11111111 0.0308 4 C 0.6890 -0.6829 -0.0003 C.3 1 UNL11111111 0.2306 5 C -0.6779 -0.6939 0.0004 C.3 1 UNL11111111 -0.1896 6 C 0.6513 1.7239 -0.0053 C.3 1 UNL11111111 0.0044 7 C 1.5068 -1.9299 -0.0029 C.3 1 UNL11111111 -1.1265 8 C 2.8210 0.5828 0.0093 C.3 1 UNL11111111 -0.8176 9 C -1.5057 0.5378 0.0011 C.2 1 UNL11111111 0.4173 10 C -0.7102 1.7494 -0.0037 C.3 1 UNL11111111 -0.6355 11 H 1.2418 2.6479 -0.0076 H 1 UNL11111111 0.2060 12 H 0.8893 -2.8407 0.0472 H 1 UNL11111111 0.3443 13 H 2.1894 -1.9761 0.8600 H 1 UNL11111111 0.3515 14 H 2.1134 -2.0170 -0.9188 H 1 UNL11111111 0.3255 15 H 3.2179 0.1336 0.9393 H 1 UNL11111111 0.3075 16 H 3.1972 1.6193 -0.0476 H 1 UNL11111111 0.2739 17 H 3.2375 0.0320 -0.8547 H 1 UNL11111111 0.2852 18 H -1.2615 2.6852 -0.0054 H 1 UNL11111111 0.2415 19 H -0.8801 -2.6370 0.0038 H 1 UNL11111111 0.3085 @BOND 1 14 7 1 2 17 8 1 3 16 8 1 4 11 6 1 5 18 10 1 6 6 3 1 7 6 10 1 8 3 4 1 9 3 8 1 10 10 9 1 11 7 4 1 12 7 12 1 13 7 13 1 14 1 5 1 15 1 19 1 16 4 5 1 17 5 9 1 18 9 2 2 19 8 15 1