@MOLECULE 1h-indol-3-yl(oxo)acetic acid 21 22 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.4884 1.8347 0.5048 O.2 1 UNL111111111 -0.3671 2 O 3.5573 0.6039 -0.9705 O.3 1 UNL111111111 -0.5108 3 O 3.2610 -1.0257 0.5293 O.2 1 UNL111111111 -0.5060 4 N -0.9369 -2.0537 -0.0370 N.ar 1 UNL111111111 -0.3474 5 C -0.9934 0.2334 0.0370 C.ar 1 UNL111111111 0.0045 6 C -1.7987 -0.9425 -0.0576 C.ar 1 UNL111111111 0.0697 7 C 0.3761 -0.2073 0.1076 C.ar 1 UNL111111111 -0.3032 8 C 0.3642 -1.6037 0.0655 C.ar 1 UNL111111111 0.0787 9 C -1.6091 1.4880 0.0439 C.ar 1 UNL111111111 -0.1122 10 C -3.1925 -0.8834 -0.1486 C.ar 1 UNL111111111 -0.1995 11 C -2.9889 1.5448 -0.0444 C.ar 1 UNL111111111 -0.1698 12 C 1.5128 0.6650 0.2281 C.2 1 UNL111111111 0.4429 13 C -3.7704 0.3743 -0.1405 C.ar 1 UNL111111111 -0.1241 14 C 2.8595 -0.0291 -0.0102 C.2 1 UNL111111111 0.5405 15 H -1.2310 -3.0038 -0.0736 H 1 UNL111111111 0.3172 16 H 1.2023 -2.2881 0.1176 H 1 UNL111111111 0.1915 17 H -0.9991 2.3895 0.1226 H 1 UNL111111111 0.1789 18 H -3.7923 -1.7835 -0.2214 H 1 UNL111111111 0.1568 19 H -3.4929 2.5105 -0.0394 H 1 UNL111111111 0.1562 20 H -4.8536 0.4714 -0.2085 H 1 UNL111111111 0.1535 21 H 4.4418 0.1941 -1.1569 H 1 UNL111111111 0.3498 @BOND 1 1 12 2 2 2 14 1 3 2 21 1 4 3 14 2 5 4 6 ar 6 4 8 ar 7 4 15 1 8 5 6 ar 9 5 7 ar 10 5 9 ar 11 6 10 ar 12 7 8 ar 13 7 12 1 14 8 16 1 15 9 11 ar 16 9 17 1 17 10 13 ar 18 10 18 1 19 11 13 ar 20 11 19 1 21 12 14 1 22 13 20 1