@MOLECULE (2r)-2-methyl-3-sulfanylpropanoic acid 15 14 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.1824 0.2806 -0.2651 S.3 1 UNL1111111111 -0.1945 2 O 2.0946 0.8091 -0.7156 O.3 1 UNL1111111111 -0.5574 3 O 0.6739 1.3462 0.9105 O.2 1 UNL1111111111 -0.5245 4 C 0.4108 -0.7778 -0.2844 C.3 1 UNL1111111111 -0.1542 5 C -0.9587 -0.9251 0.3751 C.3 1 UNL1111111111 -0.3178 6 C 1.3594 -1.8796 0.1969 C.3 1 UNL1111111111 -0.4420 7 C 1.0187 0.5552 0.0715 C.2 1 UNL1111111111 0.6379 8 H 0.3184 -0.8443 -1.4038 H 1 UNL1111111111 0.1874 9 H -0.8772 -0.8325 1.4761 H 1 UNL1111111111 0.1725 10 H -1.3742 -1.9335 0.1785 H 1 UNL1111111111 0.1722 11 H 1.4756 -1.8770 1.2878 H 1 UNL1111111111 0.1566 12 H 0.9937 -2.8724 -0.0932 H 1 UNL1111111111 0.1572 13 H 2.3612 -1.7624 -0.2415 H 1 UNL1111111111 0.1673 14 H -1.7689 1.3865 0.3748 H 1 UNL1111111111 0.1821 15 H 2.5337 1.6742 -0.5191 H 1 UNL1111111111 0.3570 @BOND 1 1 5 1 2 1 14 1 3 2 7 1 4 2 15 1 5 3 7 2 6 4 5 1 7 4 6 1 8 4 7 1 9 4 8 1 10 5 9 1 11 5 10 1 12 6 11 1 13 6 12 1 14 6 13 1