@MOLECULE ferulic acid 24 24 0 0 0 SMALL USER_CHARGES @ATOM 1 O 2.4523 1.7437 0.1822 O.3 1 UNL11111111 -0.3000 2 O 3.9136 -0.6936 -0.2109 O.3 1 UNL11111111 -0.4718 3 O -4.5302 1.3534 -0.4941 O.3 1 UNL11111111 -0.5550 4 O -4.5609 -0.6633 0.4527 O.2 1 UNL11111111 -0.5177 5 C -0.2205 -0.6655 0.1129 C.ar 1 UNL11111111 -0.0444 6 C 1.8979 0.5103 0.0815 C.ar 1 UNL11111111 0.1602 7 C 0.5047 0.5269 0.1905 C.ar 1 UNL11111111 -0.1863 8 C 0.4474 -1.8798 -0.0742 C.ar 1 UNL11111111 -0.1336 9 C 2.5557 -0.7187 -0.1118 C.ar 1 UNL11111111 0.1652 10 C 1.8345 -1.9076 -0.1921 C.ar 1 UNL11111111 -0.2455 11 C -1.6752 -0.6673 0.2400 C.2 1 UNL11111111 -0.0214 12 C -2.4616 0.3276 -0.1969 C.2 1 UNL11111111 -0.2890 13 C 3.8697 1.8434 0.1128 C.3 1 UNL11111111 -0.1908 14 C -3.9124 0.2349 -0.0250 C.2 1 UNL11111111 0.6453 15 H -0.0001 1.4813 0.3479 H 1 UNL11111111 0.1816 16 H -0.1161 -2.8103 -0.1330 H 1 UNL11111111 0.1616 17 H 2.3506 -2.8524 -0.3420 H 1 UNL11111111 0.1615 18 H -2.1082 -1.5573 0.7203 H 1 UNL11111111 0.1728 19 H -2.0914 1.2258 -0.6925 H 1 UNL11111111 0.1920 20 H 4.2373 1.5035 -0.8606 H 1 UNL11111111 0.1437 21 H 4.3414 1.2866 0.9298 H 1 UNL11111111 0.1433 22 H 4.0271 2.9232 0.2352 H 1 UNL11111111 0.1472 23 H 4.2853 -1.6012 -0.3398 H 1 UNL11111111 0.3284 24 H -5.5130 1.3263 -0.3959 H 1 UNL11111111 0.3529 @BOND 1 20 13 1 2 19 12 1 3 3 24 1 4 3 14 1 5 17 10 1 6 23 2 1 7 2 9 1 8 12 14 1 9 12 11 2 10 10 9 ar 11 10 8 ar 12 16 8 1 13 9 6 ar 14 8 5 ar 15 14 4 2 16 6 1 1 17 6 7 ar 18 13 1 1 19 13 22 1 20 13 21 1 21 5 7 ar 22 5 11 1 23 7 15 1 24 11 18 1