@MOLECULE 3-(4,6-dichloro-2-carboxyindol-3-yl)propionic acid 28 29 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.8181 -3.0486 1.3893 O.3 1 UNL11111 -0.5697 2 C 2.9387 -2.2025 0.3300 C.2 1 UNL11111 0.6519 3 O 3.3284 -2.6068 -0.7331 O.2 1 UNL11111 -0.5068 4 C 2.5398 -0.8206 0.7384 C.3 1 UNL11111 -0.3280 5 C 2.1655 0.0259 -0.4872 C.3 1 UNL11111 -0.2704 6 C 0.9041 0.7571 -0.2560 C.ar 1 UNL11111 0.0615 7 C -0.4145 0.2015 -0.1818 C.ar 1 UNL11111 -0.1757 8 CA 0.7678 2.1325 -0.0640 C.ar 1 UNL11111 -0.0931 9 C 1.8040 3.1518 -0.0478 C.2 1 UNL11111 0.6545 10 O 1.2597 4.3837 0.1743 O.3 1 UNL11111 -0.5816 11 OXT 2.9908 3.0244 -0.1971 O.2 1 UNL11111 -0.4754 12 N -0.5860 2.4579 0.1264 N.ar 1 UNL11111 -0.3071 13 C -1.3199 1.2961 0.0584 C.ar 1 UNL11111 0.1653 14 C -2.7112 1.1058 0.1871 C.ar 1 UNL11111 -0.2661 15 C -3.1566 -0.1874 0.0691 C.ar 1 UNL11111 0.0992 16 CL -4.8308 -0.4891 0.2149 Cl 1 UNL11111 -0.0604 17 C -2.3180 -1.2973 -0.1680 C.ar 1 UNL11111 -0.2643 18 C -0.9652 -1.0810 -0.2897 C.ar 1 UNL11111 0.1081 19 CL 0.0603 -2.4042 -0.5814 Cl 1 UNL11111 -0.0408 20 H 3.0633 -3.9823 1.1820 H 1 UNL11111 0.3554 21 H 1.7041 -0.8657 1.4738 H 1 UNL11111 0.1908 22 H 3.3763 -0.3468 1.2995 H 1 UNL11111 0.1852 23 H 3.0003 0.7272 -0.7283 H 1 UNL11111 0.1863 24 H 2.0835 -0.6087 -1.4039 H 1 UNL11111 0.1929 25 H 1.9310 5.1107 0.1905 H 1 UNL11111 0.3680 26 H -0.9280 3.3846 0.2785 H 1 UNL11111 0.3363 27 H -3.3763 1.9461 0.3678 H 1 UNL11111 0.1876 28 H -2.7467 -2.2979 -0.2522 H 1 UNL11111 0.1965 @BOND 1 1 2 1 2 1 20 1 3 2 3 2 4 2 4 1 5 4 5 1 6 4 21 1 7 4 22 1 8 5 6 1 9 5 23 1 10 5 24 1 11 6 7 ar 12 6 8 ar 13 7 13 ar 14 7 18 ar 15 8 9 1 16 8 12 ar 17 9 10 1 18 9 11 2 19 10 25 1 20 12 13 ar 21 12 26 1 22 13 14 ar 23 14 15 ar 24 14 27 1 25 15 16 1 26 15 17 ar 27 17 18 ar 28 17 28 1 29 18 19 1