@MOLECULE 5-bromoindole-3-acetic acid 22 23 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.3220 1.1354 -1.4127 O.2 1 UNL111111111 -0.4814 2 C -3.3141 1.4345 -0.2518 C.2 1 UNL111111111 0.6484 3 O -3.7892 2.6489 0.1520 O.3 1 UNL111111111 -0.5823 4 C -2.8583 0.6654 0.9540 C.3 1 UNL111111111 -0.3160 5 C -2.1562 -0.5677 0.5573 C.ar 1 UNL111111111 -0.1094 6 C -0.7485 -0.6936 0.2957 C.ar 1 UNL111111111 -0.0586 7 C 0.3285 0.1989 0.3238 C.ar 1 UNL111111111 -0.1146 8 C 1.5716 -0.2981 -0.0062 C.ar 1 UNL111111111 -0.0520 9 BR 3.0595 0.8844 0.0223 Br 1 UNL111111111 -0.0652 10 C -2.7281 -1.8147 0.3496 C.ar 1 UNL111111111 -0.0133 11 N -1.7405 -2.7280 -0.0219 N.ar 1 UNL111111111 -0.3605 12 C -0.5179 -2.0604 -0.0705 C.ar 1 UNL111111111 0.0989 13 C 0.7575 -2.5391 -0.4024 C.ar 1 UNL111111111 -0.1951 14 C 1.8050 -1.6383 -0.3668 C.ar 1 UNL111111111 -0.1246 15 H -4.1059 3.2175 -0.5890 H 1 UNL111111111 0.3551 16 H -2.2058 1.3145 1.5887 H 1 UNL111111111 0.1942 17 H -3.7406 0.4472 1.6022 H 1 UNL111111111 0.1869 18 H 0.1639 1.2413 0.5925 H 1 UNL111111111 0.1720 19 H -3.7572 -2.1137 0.4335 H 1 UNL111111111 0.1692 20 H -1.8884 -3.6813 -0.2567 H 1 UNL111111111 0.3154 21 H 0.9116 -3.5769 -0.6794 H 1 UNL111111111 0.1630 22 H 2.8126 -1.9706 -0.6217 H 1 UNL111111111 0.1698 @BOND 1 1 2 2 2 2 3 1 3 3 15 1 4 4 2 1 5 4 16 1 6 4 17 1 7 5 6 ar 8 5 4 1 9 6 7 ar 10 7 18 1 11 8 7 ar 12 8 9 1 13 10 5 ar 14 10 19 1 15 11 10 ar 16 11 12 ar 17 11 20 1 18 12 6 ar 19 13 12 ar 20 13 14 ar 21 13 21 1 22 14 8 ar 23 14 22 1