@MOLECULE {4,5-dihydroxy-3-[(1z)-1-hydroxy-3-oxo-1-penten-1-yl]-9,10-dioxo-9,10-dihydro-2-anthracenyl}acetic acid 45 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2158 2.1644 0.3738 O.3 1 UNL1111111111 -0.3820 2 O 2.2238 2.4428 -0.0050 O.2 1 UNL1111111111 -0.4673 3 O 2.8889 -2.8639 0.1444 O.2 1 UNL1111111111 -0.3960 4 O 4.7536 2.7874 -0.3740 O.3 1 UNL1111111111 -0.4681 5 O -2.8866 0.9257 1.9992 O.2 1 UNL1111111111 -0.4122 6 O -3.7615 -3.6024 -0.2231 O.3 1 UNL1111111111 -0.5592 7 O -2.4843 -2.3697 -1.5742 O.2 1 UNL1111111111 -0.4817 8 O -5.1957 1.6959 0.8718 O.2 1 UNL1111111111 -0.4330 9 C 1.2229 0.3277 0.2362 C.ar 1 UNL1111111111 -0.2458 10 C 1.3897 -1.0616 0.2642 C.ar 1 UNL1111111111 0.0023 11 C -0.9747 -1.4044 0.6334 C.ar 1 UNL1111111111 0.1524 12 C -1.1755 -0.0261 0.6169 C.ar 1 UNL1111111111 -0.3036 13 C -0.0764 0.8331 0.4114 C.ar 1 UNL1111111111 0.3682 14 C 0.3134 -1.9200 0.4543 C.ar 1 UNL1111111111 -0.2107 15 C 3.6967 0.6352 -0.1346 C.ar 1 UNL1111111111 -0.3205 16 C 3.8983 -0.7550 -0.1042 C.ar 1 UNL1111111111 -0.0360 17 C 2.3661 1.2315 0.0286 C.2 1 UNL1111111111 0.5161 18 C 2.7471 -1.6645 0.1070 C.2 1 UNL1111111111 0.4301 19 C -2.1265 -2.3342 0.8468 C.3 1 UNL1111111111 -0.3816 20 C 4.8188 1.4541 -0.3282 C.ar 1 UNL1111111111 0.3742 21 C -2.5152 0.5646 0.7508 C.2 1 UNL1111111111 0.3156 22 C 5.1611 -1.2956 -0.2573 C.ar 1 UNL1111111111 -0.1732 23 C 6.1162 0.9116 -0.4890 C.ar 1 UNL1111111111 -0.2399 24 C 6.2757 -0.4551 -0.4521 C.ar 1 UNL1111111111 -0.0626 25 C -3.3401 0.7941 -0.2848 C.2 1 UNL1111111111 -0.4395 26 C -2.7527 -2.7239 -0.4598 C.2 1 UNL1111111111 0.6521 27 C -4.6867 1.3806 -0.1747 C.2 1 UNL1111111111 0.4888 28 C -5.3973 1.5454 -1.5026 C.3 1 UNL1111111111 -0.3574 29 C -6.7807 2.1589 -1.3218 C.3 1 UNL1111111111 -0.4175 30 H 0.4812 -3.0021 0.4507 H 1 UNL1111111111 0.1917 31 H -2.9112 -1.8815 1.5054 H 1 UNL1111111111 0.2090 32 H -1.8175 -3.2534 1.4027 H 1 UNL1111111111 0.2018 33 H 5.3004 -2.3784 -0.2310 H 1 UNL1111111111 0.1786 34 H 6.9541 1.5903 -0.6394 H 1 UNL1111111111 0.1818 35 H 7.2652 -0.9010 -0.5723 H 1 UNL1111111111 0.1577 36 H -3.0196 0.5159 -1.2917 H 1 UNL1111111111 0.1948 37 H -1.1567 2.4680 0.5258 H 1 UNL1111111111 0.3359 38 H 3.7916 3.1131 -0.2513 H 1 UNL1111111111 0.3833 39 H -2.2024 0.6912 2.6798 H 1 UNL1111111111 0.3224 40 H -5.4779 0.5563 -1.9984 H 1 UNL1111111111 0.1610 41 H -4.7830 2.1751 -2.1782 H 1 UNL1111111111 0.1621 42 H -7.4062 1.5384 -0.6679 H 1 UNL1111111111 0.1539 43 H -6.7181 3.1461 -0.8452 H 1 UNL1111111111 0.1546 44 H -7.3001 2.2760 -2.2793 H 1 UNL1111111111 0.1388 45 H -4.2283 -3.8959 -1.0461 H 1 UNL1111111111 0.3604 @BOND 1 1 13 1 2 1 37 1 3 2 17 2 4 3 18 2 5 4 20 1 6 4 38 1 7 5 21 1 8 5 39 1 9 6 26 1 10 6 45 1 11 7 26 2 12 8 27 2 13 9 10 ar 14 9 13 ar 15 9 17 1 16 10 14 ar 17 10 18 1 18 11 12 ar 19 11 14 ar 20 11 19 1 21 12 13 ar 22 12 21 1 23 14 30 1 24 15 16 ar 25 15 17 1 26 15 20 ar 27 16 18 1 28 16 22 ar 29 19 26 1 30 19 31 1 31 19 32 1 32 20 23 ar 33 21 25 2 34 22 24 ar 35 22 33 1 36 23 24 ar 37 23 34 1 38 24 35 1 39 25 27 1 40 25 36 1 41 27 28 1 42 28 29 1 43 28 40 1 44 28 41 1 45 29 42 1 46 29 43 1 47 29 44 1