@MOLECULE (2s)-chloro[(2r)-5-oxo-2,5-dihydro-2-furanyl]acetic acid 16 16 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6829 -0.6627 -1.5053 O.2 1 UNL111111111 -0.3863 2 C -2.0808 -0.4696 -0.4956 C.2 1 UNL111111111 0.5761 3 O -0.7834 -0.9712 -0.3576 O.3 1 UNL111111111 -0.3907 4 C -2.4363 0.2207 0.7755 C.2 1 UNL111111111 -0.2459 5 C -1.3904 0.1572 1.6073 C.2 1 UNL111111111 -0.1330 6 C -0.2572 -0.5780 0.9170 C.3 1 UNL111111111 0.0790 7 C 0.9488 0.3278 0.6780 C.3 1 UNL111111111 -0.1756 8 CL 0.4301 1.7425 -0.2381 Cl 1 UNL111111111 -0.0603 9 C 2.0267 -0.3774 -0.1056 C.2 1 UNL111111111 0.6182 10 O 2.6418 -0.0122 -1.0641 O.2 1 UNL111111111 -0.4248 11 O 2.2857 -1.5660 0.5031 O.3 1 UNL111111111 -0.5696 12 H -3.4047 0.6689 0.9066 H 1 UNL111111111 0.1904 13 H 0.0312 -1.5303 1.4246 H 1 UNL111111111 0.1881 14 H -1.2825 0.5404 2.6050 H 1 UNL111111111 0.1730 15 H 1.3690 0.7001 1.6446 H 1 UNL111111111 0.1932 16 H 2.9682 -2.1118 0.0337 H 1 UNL111111111 0.3682 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 6 1 5 4 5 2 6 4 12 1 7 5 6 1 8 5 14 1 9 6 7 1 10 6 13 1 11 7 8 1 12 7 9 1 13 7 15 1 14 9 10 2 15 9 11 1 16 11 16 1