@MOLECULE 4-hydroxy-5-sulfanyl-2,4-cyclohexadien-1-one 15 15 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.2069 1.0993 -0.0466 S.3 1 UNL1111111111 -0.1477 2 O -1.5201 -1.9307 0.0219 O.2 1 UNL1111111111 -0.4584 3 O 2.9275 1.1010 0.0164 O.2 1 UNL1111111111 -0.4375 4 C 0.5668 1.1879 -0.0137 C.3 1 UNL1111111111 -0.3564 5 C -0.6318 0.3133 0.0112 C.2 1 UNL1111111111 -0.2640 6 C 1.8980 0.4692 0.0005 C.2 1 UNL1111111111 0.4623 7 C -0.5123 -1.0330 0.0072 C.2 1 UNL1111111111 0.2761 8 C 1.9125 -1.0098 -0.0126 C.2 1 UNL1111111111 -0.2386 9 C 0.7770 -1.7198 -0.0114 C.2 1 UNL1111111111 -0.1091 10 H 0.5521 1.8501 -0.9192 H 1 UNL1111111111 0.2012 11 H 0.5612 1.9102 0.8397 H 1 UNL1111111111 0.1896 12 H 2.9033 -1.4672 -0.0228 H 1 UNL1111111111 0.1866 13 H 0.7485 -2.8128 -0.0211 H 1 UNL1111111111 0.1832 14 H -2.2751 1.5939 1.1976 H 1 UNL1111111111 0.1643 15 H -2.4248 -1.5131 0.0250 H 1 UNL1111111111 0.3484 @BOND 1 1 5 1 2 1 14 1 3 2 7 1 4 2 15 1 5 3 6 2 6 4 5 1 7 4 6 1 8 4 10 1 9 4 11 1 10 5 7 2 11 6 8 1 12 7 9 1 13 8 9 2 14 8 12 1 15 9 13 1