@MOLECULE 4-piperidinethione 12 12 0 0 0 SMALL USER_CHARGES @ATOM 1 S -2.2373 -0.0002 -0.0001 S.2 1 UNL11111111 -0.3489 2 N 2.2293 -0.0000 -0.0001 N.4 1 UNL11111111 -0.3727 3 C -0.5982 0.0001 0.0002 C.2 1 UNL11111111 0.1339 4 C 0.1687 -1.2178 0.0001 C.3 1 UNL11111111 -0.2617 5 C 0.1682 1.2185 0.0001 C.3 1 UNL11111111 -0.2614 6 C 1.5321 -1.1968 0.0000 C.3 1 UNL11111111 0.0413 7 C 1.5317 1.1967 -0.0000 C.3 1 UNL11111111 0.0411 8 H -0.3651 -2.1713 0.0002 H 1 UNL11111111 0.1909 9 H -0.3651 2.1723 0.0002 H 1 UNL11111111 0.1909 10 H 2.1401 -2.1072 -0.0000 H 1 UNL11111111 0.1668 11 H 2.1398 2.1069 -0.0001 H 1 UNL11111111 0.1667 12 H 3.2373 0.0005 -0.0002 H 1 UNL11111111 0.3131 @BOND 1 12 2 1 2 2 6 1 3 2 7 1 4 11 7 1 5 1 3 2 6 6 10 1 7 6 4 1 8 7 5 1 9 5 9 1 10 5 3 1 11 4 3 1 12 4 8 1