@MOLECULE 5-methylfurfural 14 14 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.4495 0.8376 0.0002 O.2 1 UNL1111111111 -0.1934 2 O 2.9892 0.0660 -0.0005 O.2 1 UNL1111111111 -0.4113 3 C -1.5514 0.0080 -0.0001 C.ar 1 UNL1111111111 0.2019 4 C -1.1653 -1.3111 -0.0001 C.ar 1 UNL1111111111 -0.3075 5 C 0.6641 0.0002 0.0004 C.ar 1 UNL1111111111 -0.0893 6 C 0.2701 -1.3140 0.0002 C.ar 1 UNL1111111111 -0.0970 7 C -2.8346 0.7152 -0.0003 C.3 1 UNL1111111111 -0.4586 8 C 1.9493 0.6839 0.0002 C.2 1 UNL1111111111 0.3400 9 H -1.7876 -2.1798 -0.0002 H 1 UNL1111111111 0.1768 10 H 0.8986 -2.1849 0.0003 H 1 UNL1111111111 0.1792 11 H -3.6874 0.0174 -0.0017 H 1 UNL1111111111 0.1753 12 H -2.9448 1.3650 0.8858 H 1 UNL1111111111 0.1783 13 H -2.9437 1.3672 -0.8848 H 1 UNL1111111111 0.1783 14 H 1.9395 1.7832 0.0007 H 1 UNL1111111111 0.1273 @BOND 1 1 3 ar 2 1 5 ar 3 2 8 2 4 3 4 ar 5 3 7 1 6 4 6 ar 7 4 9 1 8 5 6 ar 9 5 8 1 10 6 10 1 11 7 11 1 12 7 12 1 13 7 13 1 14 8 14 1