@MOLECULE methyl 4-(1,5-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)-2,3-dihydroxy-3-methylbutanoate 46 48 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.5352 -0.1416 -1.1894 O.3 1 UNL1111111111 -0.5554 2 O 5.3335 -1.1997 0.8379 O.3 1 UNL1111111111 -0.5116 3 O 0.9919 1.0829 1.0532 O.3 1 UNL1111111111 -0.4493 4 O 4.6799 1.5634 -1.2527 O.3 1 UNL1111111111 -0.4207 5 O -1.2940 2.2975 0.6942 O.2 1 UNL1111111111 -0.4971 6 O -3.6764 -2.3863 -0.3219 O.2 1 UNL1111111111 -0.5021 7 O 4.7878 1.5032 1.0054 O.2 1 UNL1111111111 -0.4859 8 O -5.9665 -1.1765 -0.6562 O.3 1 UNL1111111111 -0.4679 9 C 3.2748 -1.0834 -0.4483 C.3 1 UNL1111111111 0.3090 10 C 2.5519 -1.1657 0.9141 C.3 1 UNL1111111111 -0.3062 11 C 4.7381 -0.5669 -0.2603 C.3 1 UNL1111111111 -0.0105 12 C 1.0748 -1.2287 0.7179 C.ar 1 UNL1111111111 -0.0346 13 C 3.2964 -2.4106 -1.1999 C.3 1 UNL1111111111 -0.5021 14 C 0.3144 -0.0228 0.7338 C.ar 1 UNL1111111111 0.3732 15 C -1.0611 -0.0246 0.4695 C.ar 1 UNL1111111111 -0.3179 16 C -1.6878 -1.2613 0.2111 C.ar 1 UNL1111111111 -0.0495 17 C 0.4158 -2.4181 0.4917 C.ar 1 UNL1111111111 -0.1108 18 C -0.9699 -2.4394 0.2365 C.ar 1 UNL1111111111 -0.1512 19 C -1.8233 1.2218 0.4597 C.2 1 UNL1111111111 0.4977 20 C -3.2782 1.1689 0.1598 C.ar 1 UNL1111111111 -0.0248 21 C -3.8986 -0.0656 -0.1070 C.ar 1 UNL1111111111 -0.3187 22 C -3.1372 -1.3142 -0.0911 C.2 1 UNL1111111111 0.5021 23 C 4.7329 0.9381 -0.0537 C.2 1 UNL1111111111 0.5626 24 C -5.2724 -0.0654 -0.3863 C.ar 1 UNL1111111111 0.3727 25 C -4.0028 2.3460 0.1499 C.ar 1 UNL1111111111 -0.1717 26 C -6.0236 1.1329 -0.3995 C.ar 1 UNL1111111111 -0.2452 27 C -5.3830 2.3227 -0.1312 C.ar 1 UNL1111111111 -0.0600 28 C 4.5535 2.9838 -1.2133 C.3 1 UNL1111111111 -0.1617 29 H 2.8167 -0.2727 1.5292 H 1 UNL1111111111 0.1829 30 H 2.9278 -2.0440 1.4778 H 1 UNL1111111111 0.1665 31 H 5.3919 -0.8603 -1.1160 H 1 UNL1111111111 0.1769 32 H 3.7489 -2.3113 -2.1929 H 1 UNL1111111111 0.1540 33 H 3.8594 -3.1743 -0.6493 H 1 UNL1111111111 0.1668 34 H 2.2750 -2.7829 -1.3595 H 1 UNL1111111111 0.1694 35 H 0.9636 -3.3616 0.5010 H 1 UNL1111111111 0.1583 36 H -1.4712 -3.3926 0.0505 H 1 UNL1111111111 0.1807 37 H 3.0361 0.2067 -1.9551 H 1 UNL1111111111 0.3289 38 H 5.1221 -0.7223 1.6790 H 1 UNL1111111111 0.3360 39 H -3.5069 3.2967 0.3603 H 1 UNL1111111111 0.1824 40 H 0.3909 1.9051 1.0130 H 1 UNL1111111111 0.3770 41 H -7.0883 1.0836 -0.6210 H 1 UNL1111111111 0.1811 42 H -5.9405 3.2610 -0.1340 H 1 UNL1111111111 0.1564 43 H 4.5890 3.2638 -2.2723 H 1 UNL1111111111 0.1470 44 H 5.3847 3.4248 -0.6527 H 1 UNL1111111111 0.1439 45 H 3.5939 3.2552 -0.7574 H 1 UNL1111111111 0.1484 46 H -5.3645 -1.9997 -0.6277 H 1 UNL1111111111 0.3809 @BOND 1 1 9 1 2 1 37 1 3 2 11 1 4 2 38 1 5 3 14 1 6 3 40 1 7 4 23 1 8 4 28 1 9 5 19 2 10 6 22 2 11 7 23 2 12 8 24 1 13 8 46 1 14 9 10 1 15 9 11 1 16 9 13 1 17 10 12 1 18 10 29 1 19 10 30 1 20 11 23 1 21 11 31 1 22 12 14 ar 23 12 17 ar 24 13 32 1 25 13 33 1 26 13 34 1 27 14 15 ar 28 15 16 ar 29 15 19 1 30 16 18 ar 31 16 22 1 32 17 18 ar 33 17 35 1 34 18 36 1 35 19 20 1 36 20 21 ar 37 20 25 ar 38 21 22 1 39 21 24 ar 40 24 26 ar 41 25 27 ar 42 25 39 1 43 26 27 ar 44 26 41 1 45 27 42 1 46 28 43 1 47 28 44 1 48 28 45 1