@MOLECULE [1-(3-ethynylbenzyl)-1h-indol-3-yl]acetic acid 37 39 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.8243 1.7576 -0.5335 O.3 1 UNL1111111111 -0.4352 2 C -3.6237 2.1647 -0.0414 C.2 1 UNL1111111111 0.4120 3 O -3.5604 2.8033 0.9744 O.2 1 UNL1111111111 -0.3724 4 C -2.5129 1.7156 -0.9471 C.3 1 UNL1111111111 -0.4250 5 C -1.7102 0.6939 -0.2479 C.ar 1 UNL1111111111 -0.2378 6 C -1.8483 -0.7310 -0.3926 C.ar 1 UNL1111111111 0.2074 7 C -2.6841 -1.5498 -1.1566 C.ar 1 UNL1111111111 -0.3471 8 C -2.5402 -2.9222 -1.0586 C.ar 1 UNL1111111111 -0.1810 9 C -1.5815 -3.5004 -0.2008 C.ar 1 UNL1111111111 -0.1850 10 C -0.7467 -2.7219 0.5797 C.ar 1 UNL1111111111 -0.2798 11 C -0.8811 -1.3317 0.4762 C.ar 1 UNL1111111111 0.0234 12 N -0.2232 -0.2997 1.1530 N.ar 1 UNL1111111111 -0.0054 13 C -0.6987 0.9229 0.6713 C.ar 1 UNL1111111111 -0.1735 14 C 1.0237 -0.4517 1.8901 C.3 1 UNL1111111111 -0.6738 15 C 2.1958 -0.4443 0.9386 C.ar 1 UNL1111111111 0.2884 16 C 2.8232 0.7596 0.6276 C.ar 1 UNL1111111111 -0.4450 17 C 3.8761 0.7745 -0.2953 C.ar 1 UNL1111111111 0.3133 18 C 4.5103 1.9912 -0.6161 C.1 1 UNL1111111111 -0.1646 19 C 5.0525 3.0391 -0.8919 C.1 1 UNL1111111111 -0.3200 20 C 4.2931 -0.4175 -0.9021 C.ar 1 UNL1111111111 -0.3046 21 C 3.6610 -1.6155 -0.5819 C.ar 1 UNL1111111111 -0.1652 22 C 2.6145 -1.6317 0.3379 C.ar 1 UNL1111111111 -0.2805 23 H -5.5910 1.9936 0.0415 H 1 UNL1111111111 0.3214 24 H -2.9197 1.3138 -1.9059 H 1 UNL1111111111 0.2484 25 H -1.8918 2.5975 -1.2299 H 1 UNL1111111111 0.2380 26 H -3.4329 -1.1052 -1.8089 H 1 UNL1111111111 0.2595 27 H -3.1775 -3.5779 -1.6479 H 1 UNL1111111111 0.1835 28 H -1.5065 -4.5859 -0.1558 H 1 UNL1111111111 0.1905 29 H -0.0212 -3.1674 1.2496 H 1 UNL1111111111 0.2137 30 H -0.3136 1.8574 1.0383 H 1 UNL1111111111 0.2726 31 H 1.1069 0.3715 2.6417 H 1 UNL1111111111 0.2997 32 H 0.9893 -1.4005 2.4791 H 1 UNL1111111111 0.2971 33 H 2.4980 1.6912 1.0884 H 1 UNL1111111111 0.2706 34 H 5.5122 3.9289 -1.1266 H 1 UNL1111111111 0.3084 35 H 5.1086 -0.4004 -1.6237 H 1 UNL1111111111 0.2300 36 H 3.9812 -2.5426 -1.0558 H 1 UNL1111111111 0.2006 37 H 2.1157 -2.5711 0.5731 H 1 UNL1111111111 0.2176 @BOND 1 1 23 1 2 2 1 1 3 3 2 2 4 4 2 1 5 4 24 1 6 4 25 1 7 5 6 ar 8 5 4 1 9 6 7 ar 10 7 8 ar 11 7 26 1 12 8 27 1 13 9 8 ar 14 9 28 1 15 10 9 ar 16 10 29 1 17 11 10 ar 18 11 6 ar 19 12 13 ar 20 12 11 ar 21 13 5 ar 22 13 30 1 23 14 12 1 24 14 31 1 25 14 32 1 26 15 14 1 27 16 15 ar 28 16 33 1 29 17 16 ar 30 18 17 1 31 19 18 3 32 19 34 1 33 20 21 ar 34 20 17 ar 35 20 35 1 36 21 22 ar 37 21 36 1 38 22 15 ar 39 22 37 1