@MOLECULE (2z)-2-butene-1,4-diol 14 13 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.5008 0.5164 -0.0064 C.3 1 UNL11111111 -0.0062 2 C -0.6667 -0.7222 -0.0029 C.2 1 UNL11111111 -0.1819 3 C 0.6666 -0.7219 0.0030 C.2 1 UNL11111111 -0.1820 4 C 1.5009 0.5165 0.0064 C.3 1 UNL11111111 -0.0062 5 O 2.8496 0.0636 -0.0045 O.3 1 UNL11111111 -0.5419 6 H 1.3373 1.1251 0.9175 H 1 UNL11111111 0.1216 7 H 1.3281 1.1379 -0.8941 H 1 UNL11111111 0.1215 8 O -2.8496 0.0638 0.0044 O.3 1 UNL11111111 -0.5420 9 H -1.3280 1.1377 0.8942 H 1 UNL11111111 0.1215 10 H -1.3371 1.1251 -0.9174 H 1 UNL11111111 0.1216 11 H -1.2494 -1.6477 -0.0048 H 1 UNL11111111 0.1784 12 H 1.2495 -1.6474 0.0049 H 1 UNL11111111 0.1784 13 H 3.4619 0.8227 0.0051 H 1 UNL11111111 0.3086 14 H -3.4618 0.8229 -0.0049 H 1 UNL11111111 0.3086 @BOND 1 10 1 1 2 7 4 1 3 1 2 1 4 1 8 1 5 1 9 1 6 14 8 1 7 11 2 1 8 5 13 1 9 5 4 1 10 2 3 2 11 3 12 1 12 3 4 1 13 4 6 1