@MOLECULE 2-(3,4,5,6-tetrahydroxy-9h-xanthen-9-yl)benzoic acid 41 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.1724 0.1051 -0.2238 O.3 1 UNL1111111111 -0.1019 2 O 3.4875 2.4975 -0.4205 O.3 1 UNL1111111111 -0.3537 3 O 3.7324 -2.1366 -0.4118 O.3 1 UNL1111111111 -0.3300 4 O 2.1540 4.8374 0.1162 O.3 1 UNL1111111111 -0.3754 5 O 2.6574 -4.6003 0.1218 O.3 1 UNL1111111111 -0.3113 6 O -3.7365 0.9900 1.6788 O.3 1 UNL1111111111 -0.3926 7 O -3.6845 -1.2281 1.8744 O.2 1 UNL1111111111 -0.2185 8 C -0.6471 -0.0437 0.5814 C.3 1 UNL1111111111 -0.9104 9 C 0.1149 1.2433 0.4636 C.ar 1 UNL1111111111 0.3263 10 C 0.2461 -1.2434 0.4685 C.ar 1 UNL1111111111 0.2473 11 C -1.6914 -0.0998 -0.5113 C.ar 1 UNL1111111111 0.3195 12 C 1.4543 1.2369 0.0815 C.ar 1 UNL1111111111 0.0141 13 C 1.5770 -1.0954 0.0852 C.ar 1 UNL1111111111 -0.0039 14 C -0.5097 2.4660 0.7225 C.ar 1 UNL1111111111 -0.3242 15 C -0.2429 -2.5249 0.7353 C.ar 1 UNL1111111111 -0.2499 16 C -3.0515 -0.1852 -0.2131 C.ar 1 UNL1111111111 0.1034 17 C 2.1783 2.4259 -0.0452 C.ar 1 UNL1111111111 -0.2170 18 C 2.4223 -2.2013 -0.0371 C.ar 1 UNL1111111111 -0.2241 19 C -1.2914 -0.0660 -1.8507 C.ar 1 UNL1111111111 -0.3199 20 C 0.1850 3.6636 0.6001 C.ar 1 UNL1111111111 -0.2826 21 C 0.5736 -3.6430 0.6136 C.ar 1 UNL1111111111 -0.2673 22 C 1.5293 3.6429 0.2170 C.ar 1 UNL1111111111 0.1633 23 C 1.9068 -3.4802 0.2265 C.ar 1 UNL1111111111 0.1812 24 C -4.0077 -0.2272 -1.2291 C.ar 1 UNL1111111111 -0.2686 25 C -2.2404 -0.1119 -2.8661 C.ar 1 UNL1111111111 -0.1465 26 C -3.5996 -0.1915 -2.5584 C.ar 1 UNL1111111111 -0.2346 27 C -3.5121 -0.2573 1.1861 C.2 1 UNL1111111111 0.0984 28 H -1.1320 -0.0666 1.5999 H 1 UNL1111111111 0.3718 29 H -1.5634 2.4772 1.0162 H 1 UNL1111111111 0.2524 30 H -1.2866 -2.6480 1.0393 H 1 UNL1111111111 0.2253 31 H -0.2294 -0.0019 -2.0928 H 1 UNL1111111111 0.2406 32 H -0.2982 4.6194 0.7964 H 1 UNL1111111111 0.2485 33 H 0.1945 -4.6440 0.8150 H 1 UNL1111111111 0.2720 34 H -5.0675 -0.2882 -0.9821 H 1 UNL1111111111 0.2540 35 H -1.9211 -0.0847 -3.9078 H 1 UNL1111111111 0.1780 36 H -4.3382 -0.2248 -3.3570 H 1 UNL1111111111 0.1922 37 H 3.8692 1.5888 -0.5094 H 1 UNL1111111111 0.3801 38 H 4.0209 -1.1938 -0.4903 H 1 UNL1111111111 0.3629 39 H 3.1101 4.7227 -0.1372 H 1 UNL1111111111 0.3819 40 H 3.5938 -4.3811 -0.1371 H 1 UNL1111111111 0.3751 41 H -4.0627 0.9939 2.6132 H 1 UNL1111111111 0.3442 @BOND 1 1 12 1 2 1 13 1 3 2 17 1 4 2 37 1 5 3 18 1 6 3 38 1 7 4 22 1 8 4 39 1 9 5 23 1 10 5 40 1 11 6 27 1 12 6 41 1 13 7 27 2 14 8 9 1 15 8 10 1 16 8 11 1 17 8 28 1 18 9 12 ar 19 9 14 ar 20 10 13 ar 21 10 15 ar 22 11 16 ar 23 11 19 ar 24 12 17 ar 25 13 18 ar 26 14 20 ar 27 14 29 1 28 15 21 ar 29 15 30 1 30 16 24 ar 31 16 27 1 32 17 22 ar 33 18 23 ar 34 19 25 ar 35 19 31 1 36 20 22 ar 37 20 32 1 38 21 23 ar 39 21 33 1 40 24 26 ar 41 24 34 1 42 25 26 ar 43 25 35 1 44 26 36 1