@MOLECULE (3s)-3-methyl-2,5-piperazinedione 17 17 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2929 -0.9138 -0.2891 O.2 1 ALA1111111111 -0.5075 2 O 2.7223 0.4716 -0.3468 O.2 2 GLY2222222222 -0.5087 3 N 0.6165 1.1186 0.0974 N.am 1 ALA1111111111 -0.6038 4 N -0.1689 -1.5780 -0.0334 N.am 2 GLY2222222222 -0.5884 5 CA -0.7605 0.7902 0.4785 C.3 1 ALA1111111111 0.0373 6 C -1.1552 -0.6179 0.0057 C.2 1 ALA1111111111 0.5442 7 CA 1.2164 -1.2792 0.3090 C.3 2 GLY2222222222 -0.1521 8 CB -1.7311 1.8075 -0.1184 C.3 1 ALA1111111111 -0.4638 9 C 1.5967 0.1610 -0.0208 C.2 2 GLY2222222222 0.5599 10 HA -0.8381 0.7998 1.6046 H 1 ALA1111111111 0.1616 11 H 0.8174 2.0772 -0.1562 H 1 ALA1111111111 0.3311 12 HA1 1.9048 -1.9647 -0.2456 H 2 GLY2222222222 0.1818 13 HA2 1.3994 -1.4581 1.3985 H 2 GLY2222222222 0.1684 14 H -0.3852 -2.5105 -0.3571 H 2 GLY2222222222 0.3298 15 HB1 -1.5968 2.8065 0.3101 H 1 ALA1111111111 0.1556 16 HB2 -1.6270 1.8835 -1.2095 H 1 ALA1111111111 0.1685 17 HB3 -2.7753 1.5026 0.0677 H 1 ALA1111111111 0.1862 @BOND 1 1 6 2 2 2 9 2 3 3 5 1 4 3 9 am 5 3 11 1 6 4 6 am 7 4 7 1 8 4 14 1 9 5 6 1 10 5 8 1 11 5 10 1 12 7 9 1 13 7 12 1 14 7 13 1 15 8 15 1 16 8 16 1 17 8 17 1