@MOLECULE m-coumaric acid 20 20 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.1027 1.9862 0.1991 O.3 1 UNL1111111111 -0.4703 2 O 3.8805 1.1927 -0.4921 O.3 1 UNL1111111111 -0.5545 3 O 3.8117 -0.8178 0.4676 O.2 1 UNL1111111111 -0.5096 4 C -0.5369 -0.5371 0.1211 C.ar 1 UNL1111111111 0.0295 5 C -1.1704 0.6976 0.2391 C.ar 1 UNL1111111111 -0.2378 6 C -1.2851 -1.6925 -0.1445 C.ar 1 UNL1111111111 -0.2167 7 C -2.5588 0.7482 0.0763 C.ar 1 UNL1111111111 0.2917 8 C -2.6654 -1.6114 -0.3050 C.ar 1 UNL1111111111 -0.0688 9 C 0.9145 -0.6438 0.2759 C.2 1 UNL1111111111 -0.0451 10 C -3.3231 -0.3872 -0.1959 C.ar 1 UNL1111111111 -0.3041 11 C 1.7662 0.2712 -0.2069 C.2 1 UNL1111111111 -0.2733 12 C 3.2102 0.1059 -0.0204 C.2 1 UNL1111111111 0.6447 13 H -0.6188 1.6099 0.4577 H 1 UNL1111111111 0.1839 14 H -0.7848 -2.6546 -0.2326 H 1 UNL1111111111 0.1624 15 H -3.2402 -2.5134 -0.5171 H 1 UNL1111111111 0.1523 16 H 1.2738 -1.5337 0.8108 H 1 UNL1111111111 0.1771 17 H -4.3981 -0.3225 -0.3171 H 1 UNL1111111111 0.1626 18 H 1.4517 1.1628 -0.7534 H 1 UNL1111111111 0.1931 19 H -4.0816 1.9819 0.0761 H 1 UNL1111111111 0.3292 20 H 4.8595 1.1272 -0.3844 H 1 UNL1111111111 0.3537 @BOND 1 1 7 1 2 1 19 1 3 2 12 1 4 2 20 1 5 3 12 2 6 4 5 ar 7 4 6 ar 8 4 9 1 9 5 7 ar 10 5 13 1 11 6 8 ar 12 6 14 1 13 7 10 ar 14 8 10 ar 15 8 15 1 16 9 11 2 17 9 16 1 18 10 17 1 19 11 12 1 20 11 18 1