@MOLECULE furoic acid 17 16 0 0 0 SMALL GASTEIGER @ATOM 1 S1 -1.4785 -0.1421 0.0273 S.O2 1 <1> 2.3986 2 O1 -2.6653 0.8367 -0.5936 O.3 1 <1> -0.8504 3 O2 -1.5901 -0.1373 1.4566 O.2 1 <1> -0.8725 4 O3 -1.5727 -1.3650 -0.7221 O.2 1 <1> -0.8976 5 O4 1.7981 -1.5240 0.7084 O.3 1 <1> -0.5382 6 O5 2.7646 -0.4489 -0.9983 O.2 1 <1> -0.5050 7 N1 1.9064 1.9851 0.2975 N.3 1 <1> -0.6308 8 C1 -0.0932 0.8394 -0.4982 C.3 1 <1> -0.6115 9 C2 1.1443 0.7343 0.4054 C.3 1 <1> 0.0297 10 C3 1.9942 -0.4470 -0.0760 C.2 1 <1> 0.5657 11 H1 0.1656 0.6139 -1.5552 H 1 <1> 0.1985 12 H2 -0.4091 1.9164 -0.5298 H 1 <1> 0.2263 13 H3 0.8535 0.5897 1.4896 H 1 <1> 0.2016 14 H4 2.3261 2.1085 -0.6129 H 1 <1> 0.2690 15 H5 2.6128 2.0758 1.0093 H 1 <1> 0.2631 16 H6 -3.4999 0.4251 -0.8452 H 1 <1> 0.3908 17 H7 2.2807 -2.3396 0.4155 H 1 <1> 0.3626 @BOND 1 1 2 1 2 1 3 2 3 1 4 2 4 1 8 1 5 2 16 1 6 5 10 1 7 5 17 1 8 6 10 2 9 7 9 1 10 7 14 1 11 7 15 1 12 8 9 1 13 8 11 1 14 8 12 1 15 9 10 1 16 9 13 1