@MOLECULE 1,2,3-trithiane-5-carboxylic acid 15 15 0 0 0 SMALL USER_CHARGES @ATOM 1 S 1.3041 1.6165 -0.3138 S.3 1 UNL111111 0.0218 2 S 1.3064 -1.6148 -0.3204 S.3 1 UNL111111 0.0218 3 S 2.3099 0.0003 0.3898 S.3 1 UNL111111 -0.0423 4 O -3.2336 0.0107 -1.0126 O.3 1 UNL111111 -0.5512 5 O -2.9352 -0.0129 1.1991 O.2 1 UNL111111 -0.4875 6 C -0.9929 0.0002 -0.2920 C.3 1 UNL111111 -0.1691 7 C -0.3984 1.2902 0.2828 C.3 1 UNL111111 -0.3509 8 C -0.3960 -1.2914 0.2770 C.3 1 UNL111111 -0.3510 9 C -2.4583 -0.0021 0.0972 C.2 1 UNL111111 0.6152 10 H -0.9158 0.0030 -1.4173 H 1 UNL111111 0.2005 11 H -1.0005 2.1701 -0.0319 H 1 UNL111111 0.1806 12 H -0.4381 1.2840 1.3923 H 1 UNL111111 0.1859 13 H -0.4357 -1.2903 1.3866 H 1 UNL111111 0.1861 14 H -0.9975 -2.1704 -0.0424 H 1 UNL111111 0.1806 15 H -4.2066 0.0107 -0.8242 H 1 UNL111111 0.3594 @BOND 1 10 6 1 2 4 15 1 3 4 9 1 4 2 8 1 5 2 3 1 6 1 7 1 7 1 3 1 8 6 9 1 9 6 8 1 10 6 7 1 11 14 8 1 12 11 7 1 13 9 5 2 14 8 13 1 15 7 12 1