@MOLECULE 2-hydroxy-3-isopropyl-6-methylbenzoic acid 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1408 -1.9550 -0.0657 O.3 1 UNL1111111111 -0.4563 2 O 2.8974 -0.7882 -1.1125 O.3 1 UNL1111111111 -0.5535 3 O 2.7544 -1.3464 1.0382 O.2 1 UNL1111111111 -0.4890 4 C -2.7302 -0.5913 -0.0240 C.3 1 UNL1111111111 -0.0386 5 C -1.4042 0.1142 -0.0022 C.ar 1 UNL1111111111 -0.1923 6 C -0.2002 -0.6042 -0.0079 C.ar 1 UNL1111111111 0.3210 7 C -3.5142 -0.2148 -1.2876 C.3 1 UNL1111111111 -0.4499 8 C -3.5335 -0.2521 1.2390 C.3 1 UNL1111111111 -0.4493 9 C -1.3246 1.5051 0.0250 C.ar 1 UNL1111111111 -0.0459 10 C 1.0451 0.0355 0.0382 C.ar 1 UNL1111111111 -0.2602 11 C 1.0977 1.4332 0.0540 C.ar 1 UNL1111111111 0.1590 12 C -0.0949 2.1600 0.0494 C.ar 1 UNL1111111111 -0.2706 13 C 2.4115 2.1312 0.0869 C.3 1 UNL1111111111 -0.4693 14 C 2.2713 -0.7736 0.0984 C.2 1 UNL1111111111 0.6787 15 H -2.5756 -1.7053 -0.0386 H 1 UNL1111111111 0.1176 16 H -3.7727 0.8498 -1.3022 H 1 UNL1111111111 0.1482 17 H -4.4501 -0.7785 -1.3589 H 1 UNL1111111111 0.1455 18 H -2.9300 -0.4186 -2.1929 H 1 UNL1111111111 0.1521 19 H -2.9632 -0.4848 2.1466 H 1 UNL1111111111 0.1529 20 H -4.4709 -0.8163 1.2783 H 1 UNL1111111111 0.1453 21 H -3.7904 0.8121 1.2823 H 1 UNL1111111111 0.1480 22 H -2.2434 2.0938 0.0287 H 1 UNL1111111111 0.1518 23 H -0.0660 3.2466 0.0634 H 1 UNL1111111111 0.1627 24 H 2.9396 1.9426 1.0360 H 1 UNL1111111111 0.1734 25 H 3.0718 1.7798 -0.7248 H 1 UNL1111111111 0.1791 26 H 2.3220 3.2200 -0.0214 H 1 UNL1111111111 0.1600 27 H -1.0447 -2.3732 -0.0605 H 1 UNL1111111111 0.3324 28 H 3.7063 -1.3570 -1.1233 H 1 UNL1111111111 0.3471 @BOND 1 1 6 1 2 1 27 1 3 2 14 1 4 2 28 1 5 3 14 2 6 4 5 1 7 4 7 1 8 4 8 1 9 4 15 1 10 5 6 ar 11 5 9 ar 12 6 10 ar 13 7 16 1 14 7 17 1 15 7 18 1 16 8 19 1 17 8 20 1 18 8 21 1 19 9 12 ar 20 9 22 1 21 10 11 ar 22 10 14 1 23 11 12 ar 24 11 13 1 25 12 23 1 26 13 24 1 27 13 25 1 28 13 26 1