@MOLECULE 3',6'-diacetoxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid 50 54 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0004 0.7618 2.3151 O.3 1 UNL11 -0.3890 2 O -0.0013 -2.3471 -0.2913 O.3 1 UNL11 -0.2569 3 O 0.0036 2.7073 3.4157 O.2 1 UNL11 -0.4077 4 O 4.6453 -2.8110 0.1952 O.3 1 UNL11 -0.4359 5 O -4.6478 -2.8071 0.1936 O.3 1 UNL11 -0.4361 6 O -0.0010 6.4304 -0.5518 O.3 1 UNL11 -0.5569 7 O 0.0096 5.7454 -2.6709 O.2 1 UNL11 -0.4970 8 O 5.0127 -2.0979 -1.9101 O.2 1 UNL11 -0.4642 9 O -5.0220 -2.0850 -1.9078 O.2 1 UNL11 -0.4640 10 C -0.0002 0.2840 0.9431 C.3 1 UNL11 0.2795 11 C 0.0006 1.5499 0.1022 C.ar 1 UNL11 0.0283 12 C 1.2420 -0.5190 0.7444 C.ar 1 UNL11 -0.2060 13 C -1.2430 -0.5180 0.7452 C.ar 1 UNL11 -0.2059 14 C 0.0018 2.6543 0.9717 C.ar 1 UNL11 -0.2243 15 C 1.1677 -1.7726 0.1347 C.ar 1 UNL11 0.2651 16 C -1.1696 -1.7718 0.1357 C.ar 1 UNL11 0.2651 17 C 0.0020 2.1486 2.3595 C.2 1 UNL11 0.5802 18 C 0.0012 1.7093 -1.2679 C.ar 1 UNL11 -0.1746 19 C 2.4886 -0.0405 1.1587 C.ar 1 UNL11 -0.0264 20 C -2.4892 -0.0377 1.1590 C.ar 1 UNL11 -0.0263 21 C 0.0031 3.9486 0.4925 C.ar 1 UNL11 0.0158 22 C 2.3000 -2.5518 -0.1143 C.ar 1 UNL11 -0.2949 23 C -2.3026 -2.5501 -0.1132 C.ar 1 UNL11 -0.2950 24 C 0.0023 3.0174 -1.7676 C.ar 1 UNL11 -0.0240 25 C 0.0032 4.1149 -0.9014 C.ar 1 UNL11 -0.1759 26 C 3.6385 -0.7890 0.9411 C.ar 1 UNL11 -0.2598 27 C -3.6398 -0.7850 0.9403 C.ar 1 UNL11 -0.2598 28 C 3.5174 -2.0275 0.3039 C.ar 1 UNL11 0.3114 29 C -3.5197 -2.0239 0.3036 C.ar 1 UNL11 0.3115 30 C 0.0045 5.4576 -1.5013 C.2 1 UNL11 0.6391 31 C 5.3425 -2.7891 -0.9900 C.2 1 UNL11 0.6337 32 C -5.3477 -2.7811 -0.9899 C.2 1 UNL11 0.6338 33 C 6.4933 -3.7226 -0.8756 C.3 1 UNL11 -0.5091 34 C -6.4960 -3.7179 -0.8758 C.3 1 UNL11 -0.5091 35 H 0.0010 0.8532 -1.9420 H 1 UNL11 0.1819 36 H 2.5537 0.9285 1.6599 H 1 UNL11 0.1689 37 H -2.5531 0.9308 1.6614 H 1 UNL11 0.1690 38 H 0.0041 4.8097 1.1681 H 1 UNL11 0.1888 39 H 2.2262 -3.5193 -0.6023 H 1 UNL11 0.1934 40 H -2.2296 -3.5180 -0.6006 H 1 UNL11 0.1934 41 H 0.0023 3.1861 -2.8509 H 1 UNL11 0.1792 42 H 4.6147 -0.4309 1.2575 H 1 UNL11 0.1793 43 H -4.6160 -0.4255 1.2553 H 1 UNL11 0.1793 44 H -0.0002 7.3457 -0.9301 H 1 UNL11 0.3607 45 H 7.4423 -3.1636 -0.8158 H 1 UNL11 0.1897 46 H 6.5532 -4.3758 -1.7618 H 1 UNL11 0.1895 47 H 6.4351 -4.3677 0.0169 H 1 UNL11 0.1914 48 H -6.4404 -4.3575 0.0207 H 1 UNL11 0.1915 49 H -6.5483 -4.3773 -1.7580 H 1 UNL11 0.1895 50 H -7.4472 -3.1618 -0.8252 H 1 UNL11 0.1897 @BOND 1 1 10 1 2 1 17 1 3 2 15 1 4 2 16 1 5 3 17 2 6 4 28 1 7 4 31 1 8 5 29 1 9 5 32 1 10 6 30 1 11 6 44 1 12 7 30 2 13 8 31 2 14 9 32 2 15 10 11 1 16 10 12 1 17 10 13 1 18 11 14 ar 19 11 18 ar 20 12 15 ar 21 12 19 ar 22 13 16 ar 23 13 20 ar 24 14 17 1 25 14 21 ar 26 15 22 ar 27 16 23 ar 28 18 24 ar 29 18 35 1 30 19 26 ar 31 19 36 1 32 20 27 ar 33 20 37 1 34 21 25 ar 35 21 38 1 36 22 28 ar 37 22 39 1 38 23 29 ar 39 23 40 1 40 24 25 ar 41 24 41 1 42 25 30 1 43 26 28 ar 44 26 42 1 45 27 29 ar 46 27 43 1 47 31 33 1 48 32 34 1 49 33 45 1 50 33 46 1 51 33 47 1 52 34 48 1 53 34 49 1 54 34 50 1