@MOLECULE methyl (2s)-2-chlorobutanoate 17 16 0 0 0 SMALL USER_CHARGES @ATOM 1 CL -1.0672 1.3923 -0.4259 Cl 1 UNL111111111 -0.1230 2 O 1.3923 -0.5694 -0.6156 O.3 1 UNL111111111 -0.3887 3 O 1.6430 0.4588 1.3720 O.2 1 UNL111111111 -0.4689 4 C -1.1685 -1.2845 -0.0642 C.3 1 UNL111111111 -0.2673 5 C -0.5808 -0.0214 0.5400 C.3 1 UNL111111111 -0.1071 6 C -2.6785 -1.3487 0.1436 C.3 1 UNL111111111 -0.4351 7 C 0.9287 0.0033 0.5197 C.2 1 UNL111111111 0.5553 8 C 2.8072 -0.5455 -0.7914 C.3 1 UNL111111111 -0.1726 9 H -0.6837 -2.1758 0.3892 H 1 UNL111111111 0.1571 10 H -0.9268 -1.3522 -1.1484 H 1 UNL111111111 0.1705 11 H -0.9549 0.1676 1.5745 H 1 UNL111111111 0.1864 12 H -3.0944 -2.2752 -0.2717 H 1 UNL111111111 0.1496 13 H -2.9485 -1.3168 1.2056 H 1 UNL111111111 0.1475 14 H -3.1951 -0.5169 -0.3535 H 1 UNL111111111 0.1585 15 H 2.9379 -1.0123 -1.7748 H 1 UNL111111111 0.1497 16 H 3.2945 -1.1272 -0.0019 H 1 UNL111111111 0.1421 17 H 3.1729 0.4874 -0.7884 H 1 UNL111111111 0.1460 @BOND 1 12 6 1 2 10 4 1 3 14 6 1 4 6 4 1 5 6 13 1 6 15 8 1 7 4 9 1 8 4 5 1 9 2 8 1 10 2 7 1 11 1 5 1 12 8 17 1 13 8 16 1 14 5 7 1 15 5 11 1 16 7 3 2