@MOLECULE 3,4-dihydroxyphenylacetaldehyde 19 19 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.0838 1.8703 -0.0401 O.3 1 UNL1111111111 -0.4489 2 O 3.1031 -0.6292 -0.4252 O.3 1 UNL1111111111 -0.4894 3 O -2.8523 0.1418 -1.3589 O.2 1 UNL1111111111 -0.4059 4 C -0.8812 -0.1191 0.5810 C.ar 1 UNL1111111111 0.0456 5 C -2.3113 0.0846 0.9734 C.3 1 UNL1111111111 -0.4014 6 C -0.0351 0.9842 0.4258 C.ar 1 UNL1111111111 -0.2215 7 C -0.3978 -1.4133 0.3861 C.ar 1 UNL1111111111 -0.1745 8 C 1.2973 0.7725 0.0838 C.ar 1 UNL1111111111 0.2182 9 C 1.7791 -0.5370 -0.1081 C.ar 1 UNL1111111111 0.1280 10 C 0.9374 -1.6298 0.0378 C.ar 1 UNL1111111111 -0.2172 11 C -3.2329 0.2052 -0.2202 C.2 1 UNL1111111111 0.3446 12 H -2.6597 -0.7551 1.6152 H 1 UNL1111111111 0.1727 13 H -2.4187 0.9905 1.6094 H 1 UNL1111111111 0.1755 14 H -0.3978 2.0010 0.5592 H 1 UNL1111111111 0.1774 15 H -1.0601 -2.2684 0.4993 H 1 UNL1111111111 0.1553 16 H 1.3039 -2.6412 -0.1140 H 1 UNL1111111111 0.1600 17 H -4.2962 0.3542 0.0106 H 1 UNL1111111111 0.1024 18 H 3.0067 1.6188 -0.3132 H 1 UNL1111111111 0.3419 19 H 3.3590 -1.5569 -0.6457 H 1 UNL1111111111 0.3370 @BOND 1 1 8 1 2 1 18 1 3 2 9 1 4 2 19 1 5 3 11 2 6 4 5 1 7 4 6 ar 8 4 7 ar 9 5 11 1 10 5 12 1 11 5 13 1 12 6 8 ar 13 6 14 1 14 7 10 ar 15 7 15 1 16 8 9 ar 17 9 10 ar 18 10 16 1 19 11 17 1