@MOLECULE 3-(2-carboxyethyl)benzoic acid 24 24 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.7811 0.4104 0.1083 C.2 1 UNL1111111111 0.6448 2 O -4.4932 0.6862 1.2337 O.3 1 UNL1111111111 -0.5687 3 C -2.3733 0.0616 0.4667 C.3 1 UNL1111111111 -0.3384 4 O 2.9858 2.2066 -0.1954 O.2 1 UNL1111111111 -0.4995 5 O 4.3585 0.5484 0.3685 O.3 1 UNL1111111111 -0.5569 6 C 0.1444 -1.9819 -0.1271 C.ar 1 UNL1111111111 -0.1217 7 C 1.4468 -2.3308 0.2233 C.ar 1 UNL1111111111 -0.1719 8 C -0.1752 -0.6556 -0.4304 C.ar 1 UNL1111111111 -0.0190 9 C 2.4421 -1.3573 0.2761 C.ar 1 UNL1111111111 -0.0801 10 C 3.1341 1.0309 0.0234 C.2 1 UNL1111111111 0.6387 11 C 0.8175 0.3226 -0.3803 C.ar 1 UNL1111111111 -0.1017 12 C 2.1205 -0.0331 -0.0246 C.ar 1 UNL1111111111 -0.1410 13 O -4.2994 0.4651 -0.9749 O.2 1 UNL1111111111 -0.5048 14 C -1.5776 -0.2837 -0.7973 C.3 1 UNL1111111111 -0.2692 15 H -5.4348 0.9302 1.0590 H 1 UNL1111111111 0.3572 16 H -1.8997 0.9071 1.0153 H 1 UNL1111111111 0.1897 17 H -2.3608 -0.7846 1.1890 H 1 UNL1111111111 0.1840 18 H -2.0793 -1.1052 -1.3532 H 1 UNL1111111111 0.1653 19 H -1.5955 0.5733 -1.5067 H 1 UNL1111111111 0.1707 20 H 5.0552 1.2507 0.4063 H 1 UNL1111111111 0.3578 21 H -0.6289 -2.7490 -0.1659 H 1 UNL1111111111 0.1552 22 H 1.6892 -3.3665 0.4558 H 1 UNL1111111111 0.1568 23 H 3.4649 -1.6269 0.5497 H 1 UNL1111111111 0.1748 24 H 0.5853 1.3647 -0.6178 H 1 UNL1111111111 0.1781 @BOND 1 1 2 1 2 1 3 1 3 1 13 2 4 2 15 1 5 3 14 1 6 3 16 1 7 3 17 1 8 4 10 2 9 5 10 1 10 5 20 1 11 6 7 ar 12 6 8 ar 13 6 21 1 14 7 9 ar 15 7 22 1 16 8 11 ar 17 8 14 1 18 9 12 ar 19 9 23 1 20 10 12 1 21 11 12 ar 22 11 24 1 23 14 18 1 24 14 19 1