@MOLECULE (2s)-2-(2-carboxyethyl)-6-{(e)-[(2e)-2-(hydroxyimino)-2,3-dihydro-1h-inden-1-ylidene]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.1029 -3.2199 1.1219 C.ar 1 UNL1111111111 -0.1651 2 C -3.3411 -3.8232 1.3145 C.ar 1 UNL1111111111 -0.1239 3 C -2.0057 -1.9525 0.5350 C.ar 1 UNL1111111111 -0.1183 4 C -0.3627 -0.1839 -1.7216 C.ar 1 UNL1111111111 -0.1846 5 C -4.5206 -3.1719 0.9312 C.ar 1 UNL1111111111 -0.1786 6 C 1.0132 -0.3987 -1.6637 C.ar 1 UNL1111111111 -0.1429 7 C -3.1652 -1.3073 0.1397 C.ar 1 UNL1111111111 -0.0447 8 C -0.9874 0.7043 -0.8420 C.ar 1 UNL1111111111 0.0636 9 C -0.2295 1.4249 0.0914 C.ar 1 UNL1111111111 -0.1865 10 C -4.4226 -1.9218 0.3529 C.ar 1 UNL1111111111 0.0119 11 C 1.7618 0.2991 -0.7227 C.ar 1 UNL1111111111 0.0837 12 C 1.1516 1.2275 0.1371 C.ar 1 UNL1111111111 0.1571 13 C -3.3458 0.0033 -0.4950 C.2 1 UNL1111111111 -0.0159 14 C -4.8156 0.2032 -0.6159 C.2 1 UNL1111111111 0.1172 15 C -2.4361 0.8905 -0.9175 C.2 1 UNL1111111111 -0.1253 16 C -0.8449 2.3684 1.0379 C.2 1 UNL1111111111 0.6590 17 C 7.0987 -1.1003 -0.3009 C.2 1 UNL1111111111 0.6463 18 C -5.5354 -1.0312 -0.1102 C.3 1 UNL1111111111 -0.3108 19 C 3.2633 1.9250 0.8350 C.3 1 UNL1111111111 -0.1200 20 C 3.7243 0.4991 0.5268 C.3 1 UNL1111111111 0.0597 21 C 5.6440 -1.0323 0.0310 C.3 1 UNL1111111111 -0.3406 22 C 5.2195 0.4218 0.2364 C.3 1 UNL1111111111 -0.2859 23 N -5.3276 1.2908 -1.0835 N.2 1 UNL1111111111 -0.1928 24 O -1.7345 3.1762 0.3988 O.3 1 UNL1111111111 -0.5484 25 O 7.8999 -0.2093 -0.3955 O.2 1 UNL1111111111 -0.5059 26 O -0.6508 2.4830 2.2184 O.2 1 UNL1111111111 -0.4768 27 O 7.4680 -2.3931 -0.5033 O.3 1 UNL1111111111 -0.5682 28 O 1.8518 1.9451 1.0542 O.3 1 UNL1111111111 -0.2622 29 O 3.1060 0.0636 -0.6951 O.3 1 UNL1111111111 -0.3236 30 O -6.7112 1.2571 -1.1069 O.2 1 UNL1111111111 -0.3258 31 H -1.1953 -3.7336 1.4324 H 1 UNL1111111111 0.1503 32 H -3.3999 -4.8093 1.7721 H 1 UNL1111111111 0.1482 33 H -1.0298 -1.4883 0.4037 H 1 UNL1111111111 0.1639 34 H -5.4865 -3.6427 1.0916 H 1 UNL1111111111 0.1575 35 H -0.9631 -0.7225 -2.4557 H 1 UNL1111111111 0.1746 36 H 1.5025 -1.1013 -2.3367 H 1 UNL1111111111 0.1724 37 H -2.7474 1.8519 -1.3576 H 1 UNL1111111111 0.2024 38 H -6.1493 -1.4950 -0.9077 H 1 UNL1111111111 0.1790 39 H -6.2422 -0.7784 0.7063 H 1 UNL1111111111 0.1820 40 H -2.1886 3.8122 1.0061 H 1 UNL1111111111 0.3531 41 H 5.0461 -1.5045 -0.7850 H 1 UNL1111111111 0.1978 42 H 5.4299 -1.6508 0.9300 H 1 UNL1111111111 0.1831 43 H 8.4228 -2.5033 -0.7333 H 1 UNL1111111111 0.3577 44 H 3.6569 2.3138 1.7923 H 1 UNL1111111111 0.1669 45 H 3.4976 2.6299 0.0171 H 1 UNL1111111111 0.1534 46 H 3.4053 -0.2066 1.3277 H 1 UNL1111111111 0.1499 47 H 5.4677 1.0188 -0.6695 H 1 UNL1111111111 0.1762 48 H 5.8005 0.8849 1.0605 H 1 UNL1111111111 0.1680 49 H -6.9413 2.1676 -1.4648 H 1 UNL1111111111 0.3123 @BOND 1 1 2 ar 2 1 3 ar 3 1 31 1 4 2 5 ar 5 2 32 1 6 3 7 ar 7 3 33 1 8 4 6 ar 9 4 8 ar 10 4 35 1 11 5 10 ar 12 5 34 1 13 6 11 ar 14 6 36 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 18 1 22 11 12 ar 23 11 29 1 24 12 28 1 25 13 14 1 26 13 15 2 27 14 18 1 28 14 23 2 29 15 37 1 30 16 24 1 31 16 26 2 32 17 21 1 33 17 25 2 34 17 27 1 35 18 38 1 36 18 39 1 37 19 20 1 38 19 28 1 39 19 44 1 40 19 45 1 41 20 22 1 42 20 29 1 43 20 46 1 44 21 22 1 45 21 41 1 46 21 42 1 47 22 47 1 48 22 48 1 49 23 30 1 50 24 40 1 51 27 43 1 52 30 49 1