@MOLECULE [(2s)-2-methyl-5-oxo-2,5-dihydro-2-furanyl]acetic acid 19 19 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.3119 -1.4194 -0.6709 C.2 1 UNL111111111 -0.1458 2 C 2.3750 -0.6122 -0.7420 C.2 1 UNL111111111 -0.2673 3 C 2.0536 0.6617 -0.0375 C.2 1 UNL111111111 0.5724 4 O 2.6944 1.6519 0.1467 O.2 1 UNL111111111 -0.4062 5 O 0.7570 0.5696 0.4453 O.3 1 UNL111111111 -0.3978 6 C 0.2008 -0.7223 0.1101 C.3 1 UNL111111111 0.2813 7 C -0.1101 -1.4342 1.4107 C.3 1 UNL111111111 -0.4861 8 C -1.0064 -0.4591 -0.7917 C.3 1 UNL111111111 -0.3925 9 C -2.1209 0.2539 -0.0928 C.2 1 UNL111111111 0.6585 10 O -2.2725 0.5445 1.0608 O.2 1 UNL111111111 -0.4784 11 O -3.0823 0.5529 -1.0114 O.3 1 UNL111111111 -0.5756 12 H 1.1752 -2.4116 -1.0565 H 1 UNL111111111 0.1690 13 H 3.3357 -0.7616 -1.1987 H 1 UNL111111111 0.1870 14 H -0.7159 -0.7880 2.0751 H 1 UNL111111111 0.2027 15 H -0.6693 -2.3617 1.2547 H 1 UNL111111111 0.1585 16 H 0.8028 -1.6722 1.9726 H 1 UNL111111111 0.1667 17 H -0.6917 0.1488 -1.6761 H 1 UNL111111111 0.2026 18 H -1.3904 -1.4122 -1.2191 H 1 UNL111111111 0.1909 19 H -3.8535 1.0422 -0.6321 H 1 UNL111111111 0.3600 @BOND 1 1 12 1 2 2 1 2 3 2 13 1 4 3 2 1 5 3 5 1 6 4 3 2 7 5 6 1 8 6 1 1 9 6 8 1 10 6 7 1 11 7 14 1 12 7 15 1 13 7 16 1 14 8 17 1 15 8 18 1 16 9 8 1 17 9 11 1 18 10 9 2 19 11 19 1