@MOLECULE 3-(2-carboxyethyl)-1h-indole-2-carboxylic acid 28 29 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7918 3.6739 0.1881 O.3 1 UNL1111 -0.5808 2 OXT 1.2126 2.8686 -0.3759 O.2 1 UNL1111 -0.4813 3 O 4.2566 -1.0270 1.2073 O.3 1 UNL1111 -0.5713 4 O 3.7571 -1.5998 -0.8857 O.2 1 UNL1111 -0.5130 5 N -2.0008 1.2736 0.2370 N.ar 1 UNL1111 -0.3255 6 C -0.1269 0.1102 -0.3781 C.ar 1 UNL1111 0.0178 7 C -1.2039 -0.8182 -0.2161 C.ar 1 UNL1111 -0.1271 8 C 1.2608 -0.2212 -0.7559 C.3 1 UNL1111 -0.2570 9 C -2.3591 -0.0595 0.1681 C.ar 1 UNL1111 0.1357 10 CA -0.6413 1.3765 -0.0965 C.ar 1 UNL1111 -0.0890 11 C 2.0956 -0.4753 0.5067 C.3 1 UNL1111 -0.3311 12 C -1.3166 -2.2102 -0.3607 C.ar 1 UNL1111 -0.0740 13 C -3.6031 -0.6743 0.4088 C.ar 1 UNL1111 -0.2292 14 C -2.5369 -2.8042 -0.1258 C.ar 1 UNL1111 -0.2109 15 C -3.6695 -2.0409 0.2562 C.ar 1 UNL1111 -0.0837 16 C 0.0557 2.6500 -0.1252 C.2 1 UNL1111 0.6544 17 C 3.4078 -1.0884 0.1450 C.2 1 UNL1111 0.6527 18 H 1.2907 -1.1107 -1.4260 H 1 UNL1111 0.1750 19 H 1.7212 0.6027 -1.3520 H 1 UNL1111 0.1829 20 H -2.5859 2.0473 0.4672 H 1 UNL1111 0.3306 21 H 2.2500 0.4758 1.0674 H 1 UNL1111 0.1939 22 H 1.5542 -1.1438 1.2131 H 1 UNL1111 0.1845 23 H -0.4462 -2.7943 -0.6560 H 1 UNL1111 0.1586 24 H -4.4657 -0.0859 0.7006 H 1 UNL1111 0.1620 25 H -2.6520 -3.8810 -0.2321 H 1 UNL1111 0.1554 26 H -4.6110 -2.5635 0.4295 H 1 UNL1111 0.1509 27 H -0.3538 4.5605 0.1743 H 1 UNL1111 0.3649 28 H 5.1452 -1.4179 1.0300 H 1 UNL1111 0.3545 @BOND 1 1 16 1 2 1 27 1 3 2 16 2 4 3 17 1 5 3 28 1 6 4 17 2 7 5 9 ar 8 5 10 ar 9 5 20 1 10 6 7 ar 11 6 8 1 12 6 10 ar 13 7 9 ar 14 7 12 ar 15 8 11 1 16 8 18 1 17 8 19 1 18 9 13 ar 19 10 16 1 20 11 17 1 21 11 21 1 22 11 22 1 23 12 14 ar 24 12 23 1 25 13 15 ar 26 13 24 1 27 14 15 ar 28 14 25 1 29 15 26 1