@MOLECULE ethyl protocatechuate 23 23 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3978 0.2843 -0.0362 O.3 1 UNL1111111111 -0.4324 2 O 3.2358 -1.5370 -0.1439 O.3 1 UNL1111111111 -0.4385 3 O 3.7919 1.1302 -0.0366 O.3 1 UNL1111111111 -0.4867 4 O -1.8194 -1.8720 0.1647 O.2 1 UNL1111111111 -0.5040 5 C -0.1146 -0.1806 0.0642 C.ar 1 UNL1111111111 -0.1452 6 C 0.9376 -1.0992 -0.0250 C.ar 1 UNL1111111111 -0.1294 7 C 0.1249 1.1904 0.1344 C.ar 1 UNL1111111111 -0.0749 8 C 2.2418 -0.6190 -0.0538 C.ar 1 UNL1111111111 0.1747 9 C 2.4818 0.7695 0.0101 C.ar 1 UNL1111111111 0.1861 10 C 1.4332 1.6759 0.1083 C.ar 1 UNL1111111111 -0.2645 11 C -1.4882 -0.7156 0.0766 C.2 1 UNL1111111111 0.6067 12 C -3.7775 -0.1150 -0.0372 C.3 1 UNL1111111111 0.0103 13 C -4.5388 1.1934 -0.1762 C.3 1 UNL1111111111 -0.4641 14 H 0.7448 -2.1755 -0.0669 H 1 UNL1111111111 0.1995 15 H -0.7104 1.8905 0.2043 H 1 UNL1111111111 0.1738 16 H 1.6219 2.7437 0.1604 H 1 UNL1111111111 0.1654 17 H -3.9435 -0.8038 -0.8843 H 1 UNL1111111111 0.1356 18 H -3.9911 -0.6391 0.9109 H 1 UNL1111111111 0.1347 19 H -5.6189 1.0171 -0.2298 H 1 UNL1111111111 0.1542 20 H -4.3432 1.8606 0.6733 H 1 UNL1111111111 0.1577 21 H -4.2400 1.7348 -1.0835 H 1 UNL1111111111 0.1598 22 H 4.1271 -1.0956 -0.1452 H 1 UNL1111111111 0.3394 23 H 3.9130 2.1040 0.0771 H 1 UNL1111111111 0.3417 @BOND 1 1 11 1 2 1 12 1 3 2 8 1 4 2 22 1 5 3 9 1 6 3 23 1 7 4 11 2 8 5 6 ar 9 5 7 ar 10 5 11 1 11 6 8 ar 12 6 14 1 13 7 10 ar 14 7 15 1 15 8 9 ar 16 9 10 ar 17 10 16 1 18 12 13 1 19 12 17 1 20 12 18 1 21 13 19 1 22 13 20 1 23 13 21 1