@MOLECULE 5-[(e)-(2-oxo-2,3-dihydro-1h-inden-1-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid 35 38 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.9028 -2.7918 0.9138 C.ar 1 UNL111111111 -0.2408 2 C -3.2758 -2.8620 1.1237 C.ar 1 UNL111111111 -0.1223 3 C -1.3213 -1.6480 0.3536 C.ar 1 UNL111111111 -0.2620 4 C 0.9324 -0.4406 -1.9261 C.ar 1 UNL111111111 -0.3842 5 C -4.1070 -1.7860 0.7854 C.ar 1 UNL111111111 -0.3763 6 C 2.1390 -1.1673 -1.9543 C.ar 1 UNL111111111 -0.1387 7 C -2.1367 -0.5839 0.0074 C.ar 1 UNL111111111 0.1049 8 C 0.6540 0.4857 -0.9267 C.ar 1 UNL111111111 0.1702 9 C 1.5746 0.7477 0.1183 C.ar 1 UNL111111111 0.1897 10 C -3.5338 -0.6578 0.2337 C.ar 1 UNL111111111 0.2308 11 C 3.0257 -0.9092 -0.9415 C.ar 1 UNL111111111 -0.0899 12 C 2.7545 0.0360 0.0823 C.ar 1 UNL111111111 -0.1122 13 C -1.7928 0.7067 -0.5826 C.2 1 UNL111111111 -0.1339 14 C -3.0736 1.4765 -0.7023 C.2 1 UNL111111111 0.4160 15 C -0.6189 1.2101 -0.9776 C.2 1 UNL111111111 -0.2701 16 C 1.3129 1.6945 1.2083 C.2 1 UNL111111111 0.1254 17 C -4.2147 0.6059 -0.1894 C.3 1 UNL111111111 -0.7477 18 C 4.7749 -0.8513 0.4564 C.3 1 UNL111111111 -0.1810 19 O 0.4366 2.6598 0.8186 O.3 1 UNL111111111 -0.4205 20 O -3.1917 2.5869 -1.1380 O.2 1 UNL111111111 -0.3103 21 O 1.7677 1.6933 2.3216 O.2 1 UNL111111111 -0.2526 22 O 4.2604 -1.4748 -0.7410 O.3 1 UNL111111111 -0.0724 23 O 3.8028 0.1067 0.9487 O.3 1 UNL111111111 -0.0505 24 H -1.2680 -3.6323 1.1887 H 1 UNL111111111 0.1985 25 H -3.7131 -3.7586 1.5596 H 1 UNL111111111 0.1833 26 H -0.2449 -1.6034 0.1998 H 1 UNL111111111 0.2401 27 H -5.1784 -1.8442 0.9584 H 1 UNL111111111 0.2332 28 H 0.1968 -0.6189 -2.7127 H 1 UNL111111111 0.2562 29 H 2.3458 -1.8901 -2.7390 H 1 UNL111111111 0.2305 30 H -0.5516 2.2347 -1.3790 H 1 UNL111111111 0.2563 31 H -4.9735 0.4421 -0.9781 H 1 UNL111111111 0.2536 32 H -4.7506 1.1026 0.6424 H 1 UNL111111111 0.3027 33 H 0.2217 3.3048 1.5394 H 1 UNL111111111 0.3583 34 H 4.8907 -1.6311 1.2227 H 1 UNL111111111 0.2072 35 H 5.6836 -0.2959 0.1855 H 1 UNL111111111 0.2086 @BOND 1 1 2 ar 2 1 3 ar 3 1 24 1 4 2 5 ar 5 2 25 1 6 3 7 ar 7 3 26 1 8 4 6 ar 9 4 8 ar 10 4 28 1 11 5 10 ar 12 5 27 1 13 6 11 ar 14 6 29 1 15 7 10 ar 16 7 13 1 17 8 9 ar 18 8 15 1 19 9 12 ar 20 9 16 1 21 10 17 1 22 11 12 ar 23 11 22 1 24 12 23 1 25 13 14 1 26 13 15 2 27 14 17 1 28 14 20 2 29 15 30 1 30 16 19 1 31 16 21 2 32 17 31 1 33 17 32 1 34 18 22 1 35 18 23 1 36 18 34 1 37 18 35 1 38 19 33 1