@MOLECULE 4-hydroxyisophthalic acid 19 19 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3740 -1.7956 0.0985 O.3 1 UNL1111111111 -0.4082 2 O -1.9531 2.1937 0.3978 O.3 1 UNL1111111111 -0.5669 3 O 3.7030 -0.3997 -0.0035 O.3 1 UNL1111111111 -0.5703 4 O -3.3416 0.6623 -0.4273 O.2 1 UNL1111111111 -0.4707 5 O 2.9467 1.6919 -0.0996 O.2 1 UNL1111111111 -0.4995 6 C -1.0267 0.1046 -0.0073 C.ar 1 UNL1111111111 -0.2779 7 C 1.3796 -0.1299 -0.0132 C.ar 1 UNL1111111111 -0.2580 8 C 0.2430 0.6821 -0.0292 C.ar 1 UNL1111111111 0.0706 9 C -1.1285 -1.2975 0.0485 C.ar 1 UNL1111111111 0.3847 10 C 1.2614 -1.5269 0.0321 C.ar 1 UNL1111111111 0.0556 11 C 0.0091 -2.1193 0.0655 C.ar 1 UNL1111111111 -0.3692 12 C -2.2328 0.9354 -0.0536 C.2 1 UNL1111111111 0.6597 13 C 2.6931 0.5156 -0.0448 C.2 1 UNL1111111111 0.6563 14 H 0.3501 1.7778 -0.0600 H 1 UNL1111111111 0.1978 15 H 2.1646 -2.1483 0.0427 H 1 UNL1111111111 0.1754 16 H -0.0918 -3.1993 0.1044 H 1 UNL1111111111 0.1730 17 H -2.3916 -2.7901 0.1225 H 1 UNL1111111111 0.3312 18 H -2.7366 2.7961 0.3784 H 1 UNL1111111111 0.3572 19 H 4.6011 0.0134 -0.0232 H 1 UNL1111111111 0.3594 @BOND 1 1 9 1 2 1 17 1 3 2 12 1 4 2 18 1 5 3 13 1 6 3 19 1 7 4 12 2 8 5 13 2 9 6 8 ar 10 6 9 ar 11 6 12 1 12 7 8 ar 13 7 10 ar 14 7 13 1 15 8 14 1 16 9 11 ar 17 10 11 ar 18 10 15 1 19 11 16 1