@MOLECULE thiopyran 12 12 0 0 0 SMALL USER_CHARGES @ATOM 1 S -1.3739 0.0176 0.1014 S.3 1 UNL11111111 0.0493 2 C -0.2915 -1.4302 -0.2220 C.3 1 UNL11111111 -0.3368 3 C 1.1406 -1.1820 0.0805 C.2 1 UNL11111111 -0.1376 4 C 1.7305 0.0223 0.1023 C.2 1 UNL11111111 -0.1671 5 C 1.0328 1.2807 -0.0919 C.2 1 UNL11111111 -0.1648 6 C -0.3029 1.3865 -0.0784 C.2 1 UNL11111111 -0.2182 7 H -0.4059 -1.7317 -1.2855 H 1 UNL11111111 0.1708 8 H -0.6939 -2.2689 0.3836 H 1 UNL11111111 0.1700 9 H 1.7219 -2.0891 0.2653 H 1 UNL11111111 0.1505 10 H 2.8028 0.1074 0.2952 H 1 UNL11111111 0.1544 11 H 1.6643 2.1624 -0.2227 H 1 UNL11111111 0.1574 12 H -0.8248 2.3387 -0.1650 H 1 UNL11111111 0.1722 @BOND 1 7 2 1 2 11 5 1 3 2 3 1 4 2 1 1 5 2 8 1 6 12 6 1 7 5 6 2 8 5 4 1 9 6 1 1 10 3 4 2 11 3 9 1 12 4 10 1