@MOLECULE methyl (4,5-dihydroxy-9,10-dioxo-3-pentanoyl-9,10-dihydro-2-anthracenyl)acetate 49 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.4740 2.7889 -0.2229 O.3 1 UNL1111111111111 -0.3984 2 O 2.1546 3.0163 -0.6727 O.2 1 UNL1111111111111 -0.4937 3 O -2.9275 2.3650 0.0463 O.2 1 UNL1111111111111 -0.4683 4 O -2.1154 -2.8634 -0.6903 O.2 1 UNL1111111111111 -0.3982 5 O -5.4388 1.9471 0.5116 O.3 1 UNL1111111111111 -0.4687 6 O 3.9387 -2.7855 -0.3874 O.3 1 UNL1111111111111 -0.4088 7 O 2.8506 -1.7727 1.3006 O.2 1 UNL1111111111111 -0.4873 8 C -1.3610 0.6327 -0.2618 C.ar 1 UNL1111111111111 -0.2626 9 C 1.0803 0.9576 -0.3964 C.ar 1 UNL1111111111111 -0.3425 10 C -1.1473 -0.7364 -0.4438 C.ar 1 UNL1111111111111 0.0165 11 C 1.2402 -0.4008 -0.6572 C.ar 1 UNL1111111111111 0.1716 12 C -0.2356 1.4797 -0.2964 C.ar 1 UNL1111111111111 0.4030 13 C 0.1228 -1.2454 -0.6749 C.ar 1 UNL1111111111111 -0.2296 14 C 3.3232 1.5235 0.7358 C.3 1 UNL1111111111111 -0.3931 15 C 2.1995 1.9048 -0.1840 C.2 1 UNL1111111111111 0.5162 16 C -3.8230 0.2084 0.0846 C.ar 1 UNL1111111111111 -0.3160 17 C -2.7148 1.1677 -0.0501 C.2 1 UNL1111111111111 0.5189 18 C -3.6268 -1.1752 -0.0595 C.ar 1 UNL1111111111111 -0.0366 19 C -2.2890 -1.6982 -0.4222 C.2 1 UNL1111111111111 0.4299 20 C 4.6731 1.6529 0.0241 C.3 1 UNL1111111111111 -0.2477 21 C 2.5639 -1.0124 -0.9976 C.3 1 UNL1111111111111 -0.3921 22 C 5.8010 1.1020 0.9052 C.3 1 UNL1111111111111 -0.2518 23 C -5.1140 0.6569 0.4019 C.ar 1 UNL1111111111111 0.3707 24 C -4.6654 -2.0698 0.1270 C.ar 1 UNL1111111111111 -0.1751 25 C -6.1736 -0.2521 0.6358 C.ar 1 UNL1111111111111 -0.2418 26 C -5.9434 -1.6006 0.4852 C.ar 1 UNL1111111111111 -0.0654 27 C 3.0871 -1.8627 0.1256 C.2 1 UNL1111111111111 0.6067 28 C 7.1321 1.1185 0.1556 C.3 1 UNL1111111111111 -0.4405 29 C 4.5668 -3.6476 0.5576 C.3 1 UNL1111111111111 -0.1680 30 H 0.2449 -2.3152 -0.8609 H 1 UNL1111111111111 0.1889 31 H 3.3011 2.2059 1.6174 H 1 UNL1111111111111 0.1847 32 H 3.1875 0.5128 1.1712 H 1 UNL1111111111111 0.1846 33 H 4.8663 2.7163 -0.2266 H 1 UNL1111111111111 0.1591 34 H 4.6610 1.1235 -0.9486 H 1 UNL1111111111111 0.1317 35 H 2.4736 -1.6212 -1.9332 H 1 UNL1111111111111 0.2051 36 H 3.3336 -0.2471 -1.2587 H 1 UNL1111111111111 0.1983 37 H 5.5650 0.0703 1.2321 H 1 UNL1111111111111 0.1363 38 H 5.8809 1.6975 1.8336 H 1 UNL1111111111111 0.1405 39 H -4.4971 -3.1408 0.0017 H 1 UNL1111111111111 0.1771 40 H -7.1462 0.1452 0.9215 H 1 UNL1111111111111 0.1801 41 H -6.7493 -2.3187 0.6392 H 1 UNL1111111111111 0.1556 42 H 7.9481 0.7475 0.7863 H 1 UNL1111111111111 0.1426 43 H 7.4014 2.1322 -0.1634 H 1 UNL1111111111111 0.1469 44 H 7.0993 0.4884 -0.7403 H 1 UNL1111111111111 0.1422 45 H 0.3483 3.3388 -0.4349 H 1 UNL1111111111111 0.3619 46 H -4.6208 2.5419 0.3551 H 1 UNL1111111111111 0.3835 47 H 5.1633 -4.3135 -0.0775 H 1 UNL1111111111111 0.1490 48 H 3.8130 -4.2051 1.1247 H 1 UNL1111111111111 0.1459 49 H 5.2014 -3.0652 1.2336 H 1 UNL1111111111111 0.1391 @BOND 1 1 12 1 2 1 45 1 3 2 15 2 4 3 17 2 5 4 19 2 6 5 23 1 7 5 46 1 8 6 27 1 9 6 29 1 10 7 27 2 11 8 10 ar 12 8 12 ar 13 8 17 1 14 9 11 ar 15 9 12 ar 16 9 15 1 17 10 13 ar 18 10 19 1 19 11 13 ar 20 11 21 1 21 13 30 1 22 14 15 1 23 14 20 1 24 14 31 1 25 14 32 1 26 16 17 1 27 16 18 ar 28 16 23 ar 29 18 19 1 30 18 24 ar 31 20 22 1 32 20 33 1 33 20 34 1 34 21 27 1 35 21 35 1 36 21 36 1 37 22 28 1 38 22 37 1 39 22 38 1 40 23 25 ar 41 24 26 ar 42 24 39 1 43 25 26 ar 44 25 40 1 45 26 41 1 46 28 42 1 47 28 43 1 48 28 44 1 49 29 47 1 50 29 48 1 51 29 49 1