@MOLECULE 3,4-dihydroxymandelaldehyde 20 20 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.5076 0.2994 -1.4150 O.3 1 UNL1111111111 -0.5063 2 O 1.9104 -2.0524 -0.2475 O.3 1 UNL1111111111 -0.4397 3 O 3.5405 0.0893 0.1706 O.3 1 UNL1111111111 -0.4875 4 O -3.1371 -1.1621 0.7528 O.2 1 UNL1111111111 -0.4129 5 C -0.5540 0.5923 -0.0566 C.ar 1 UNL1111111111 -0.0590 6 C -2.0482 0.7397 -0.1640 C.3 1 UNL1111111111 0.0330 7 C 0.0166 -0.6771 -0.1902 C.ar 1 UNL1111111111 -0.1986 8 C 0.2427 1.7149 0.1520 C.ar 1 UNL1111111111 -0.1491 9 C 1.3988 -0.8057 -0.1134 C.ar 1 UNL1111111111 0.2098 10 C 1.6324 1.5915 0.2340 C.ar 1 UNL1111111111 -0.2296 11 C 2.2020 0.3339 0.1000 C.ar 1 UNL1111111111 0.1459 12 C -2.6972 -0.0618 0.9663 C.2 1 UNL1111111111 0.2948 13 H -2.3789 1.8063 -0.1508 H 1 UNL1111111111 0.1644 14 H -0.5978 -1.5636 -0.3538 H 1 UNL1111111111 0.1866 15 H -0.2085 2.7014 0.2436 H 1 UNL1111111111 0.1571 16 H 2.2512 2.4691 0.3965 H 1 UNL1111111111 0.1607 17 H -2.7283 0.3962 1.9588 H 1 UNL1111111111 0.1190 18 H -2.5314 -0.6876 -1.4492 H 1 UNL1111111111 0.3296 19 H 2.9043 -2.0371 -0.1959 H 1 UNL1111111111 0.3424 20 H 4.0644 0.9246 0.2241 H 1 UNL1111111111 0.3395 @BOND 1 1 6 1 2 1 18 1 3 2 9 1 4 2 19 1 5 3 11 1 6 3 20 1 7 4 12 2 8 5 6 1 9 5 7 ar 10 5 8 ar 11 6 12 1 12 6 13 1 13 7 9 ar 14 7 14 1 15 8 10 ar 16 8 15 1 17 9 11 ar 18 10 11 ar 19 10 16 1 20 12 17 1