@MOLECULE 4-oxo-2,6-piperidinedicarboxylic acid 18 18 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.0003 -3.3579 -0.0105 O.2 1 UNL111111 -0.4474 2 O -2.1924 2.1229 -0.0219 O.3 1 UNL111111 -0.5749 3 O 2.1949 2.1225 -0.0161 O.3 1 UNL111111 -0.5747 4 OXT -3.5780 0.3699 0.0245 O.2 1 UNL111111 -0.4294 5 OXT 3.5782 0.3674 0.0210 O.2 1 UNL111111 -0.4294 6 N -0.0002 0.7094 0.0081 N.4 1 UNL111111 -0.3540 7 CA -1.1912 0.0029 0.0020 C.3 1 UNL111111 0.0978 8 CA 1.1907 0.0034 0.0016 C.3 1 UNL111111 0.0978 9 C -1.2353 -1.3541 -0.0038 C.3 1 UNL111111 -0.2986 10 C 1.2332 -1.3537 -0.0046 C.3 1 UNL111111 -0.2989 11 C -0.0010 -2.1468 -0.0069 C.2 1 UNL111111 0.4671 12 C -2.4560 0.7904 0.0043 C.2 1 UNL111111 0.6123 13 C 2.4566 0.7895 0.0043 C.2 1 UNL111111 0.6124 14 H -0.0003 1.7292 0.0078 H 1 UNL111111 0.3558 15 H -2.1764 -1.9077 -0.0055 H 1 UNL111111 0.2073 16 H 2.1738 -1.9077 -0.0076 H 1 UNL111111 0.2072 17 H -3.0045 2.6919 -0.0140 H 1 UNL111111 0.3748 18 H 3.0079 2.6904 -0.0070 H 1 UNL111111 0.3748 @BOND 1 2 17 1 2 2 12 1 3 3 18 1 4 3 13 1 5 1 11 2 6 16 10 1 7 11 10 1 8 11 9 1 9 15 9 1 10 10 8 1 11 9 7 1 12 8 13 1 13 8 6 1 14 7 12 1 15 7 6 1 16 12 4 2 17 13 5 2 18 14 6 1