@MOLECULE 2-furoic acid 12 12 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.8131 -1.0754 -0.0002 O.2 1 UNL11111111 -0.1027 2 O 2.0030 1.1090 -0.0004 O.3 1 UNL11111111 -0.5463 3 O 1.9977 -1.1251 0.0003 O.2 1 UNL11111111 -0.4662 4 C -0.0664 0.0974 0.0001 C.ar 1 UNL11111111 -0.0720 5 C -0.8919 1.1952 0.0003 C.ar 1 UNL11111111 -0.1001 6 C -2.2341 0.6869 0.0001 C.ar 1 UNL11111111 -0.2641 7 C -2.1265 -0.6822 -0.0002 C.ar 1 UNL11111111 0.0155 8 C 1.3709 -0.0983 0.0000 C.2 1 UNL11111111 0.6402 9 H -0.6061 2.2305 0.0005 H 1 UNL11111111 0.1815 10 H -3.1239 1.2813 -0.0003 H 1 UNL11111111 0.1770 11 H -2.8138 -1.4993 -0.0003 H 1 UNL11111111 0.1785 12 H 2.9908 1.0230 -0.0003 H 1 UNL11111111 0.3586 @BOND 1 2 12 1 2 2 8 1 3 11 7 1 4 10 6 1 5 1 7 ar 6 1 4 ar 7 7 6 ar 8 8 4 1 9 8 3 2 10 6 5 ar 11 4 5 ar 12 5 9 1