@MOLECULE 4,6,8-trihydroxy-2,7-dimethyl-9,10-dioxo-9,10-dihydro-1-anthracenyl d-glucopyranoside 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9121 -0.2171 1.1583 O.3 1 UNL111111111 -0.4521 2 O -2.1290 1.1541 -0.6672 O.3 1 UNL111111111 -0.3955 3 O -3.1159 -1.1316 -2.3068 O.3 1 UNL111111111 -0.5561 4 O -2.5097 -3.5296 -0.1393 O.3 1 UNL111111111 -0.5579 5 O -4.8449 -0.5218 0.7800 O.3 1 UNL111111111 -0.5447 6 O -0.8057 -1.8534 3.1794 O.3 1 UNL111111111 -0.5419 7 O 2.0546 4.4109 0.6958 O.3 1 UNL111111111 -0.4171 8 O -0.2210 -0.3296 -1.8740 O.2 1 UNL111111111 -0.4251 9 O 3.6094 2.6375 -0.5048 O.2 1 UNL111111111 -0.3763 10 O 0.8907 -2.5459 -0.8806 O.3 1 UNL111111111 -0.4399 11 O 5.3700 -2.0596 0.5834 O.3 1 UNL111111111 -0.4623 12 C -3.4561 -1.4779 -0.9907 C.3 1 UNL111111111 0.0599 13 C -2.2590 -2.1437 -0.2857 C.3 1 UNL111111111 0.0414 14 C -3.9551 -0.2086 -0.2709 C.3 1 UNL111111111 0.0270 15 C -2.0995 -1.6281 1.1509 C.3 1 UNL111111111 0.0591 16 C -2.8194 0.5550 0.4368 C.3 1 UNL111111111 0.3037 17 C -0.8158 -2.1584 1.8026 C.3 1 UNL111111111 -0.0176 18 C -1.0980 1.9765 -0.3026 C.ar 1 UNL111111111 0.1619 19 C 0.2058 1.5394 -0.4915 C.ar 1 UNL111111111 -0.0827 20 C 1.2780 2.3827 -0.1600 C.ar 1 UNL111111111 -0.2308 21 C -1.3819 3.2862 0.1505 C.ar 1 UNL111111111 0.0796 22 C 0.5023 0.1936 -1.0638 C.2 1 UNL111111111 0.5192 23 C 1.7719 -0.4054 -0.6134 C.ar 1 UNL111111111 -0.2915 24 C 2.8403 0.4258 -0.2583 C.ar 1 UNL111111111 0.0264 25 C 2.6648 1.9124 -0.3245 C.2 1 UNL111111111 0.4625 26 C 0.9942 3.6562 0.3379 C.ar 1 UNL111111111 0.3195 27 C -0.3246 4.1204 0.4787 C.ar 1 UNL111111111 -0.3208 28 C -2.7833 3.7687 0.2560 C.3 1 UNL111111111 -0.4578 29 C 1.9600 -1.7942 -0.5536 C.ar 1 UNL111111111 0.3598 30 C 4.0585 -0.0931 0.1414 C.ar 1 UNL111111111 -0.3210 31 C 3.1746 -2.3686 -0.1413 C.ar 1 UNL111111111 -0.2115 32 C 4.2062 -1.4885 0.1963 C.ar 1 UNL111111111 0.3383 33 C 3.3476 -3.8409 -0.0650 C.3 1 UNL111111111 -0.4252 34 H -4.2897 -2.2079 -1.1242 H 1 UNL111111111 0.1562 35 H -1.3223 -2.0094 -0.8814 H 1 UNL111111111 0.1759 36 H -4.4768 0.4592 -0.9992 H 1 UNL111111111 0.1587 37 H -2.9971 -1.8545 1.7729 H 1 UNL111111111 0.1671 38 H -3.1639 1.3289 1.1548 H 1 UNL111111111 0.1444 39 H 0.0910 -1.7335 1.3340 H 1 UNL111111111 0.1346 40 H -0.7857 -3.2649 1.7743 H 1 UNL111111111 0.1579 41 H -2.2934 -0.5724 -2.3159 H 1 UNL111111111 0.3588 42 H -2.5569 -3.9560 -1.0200 H 1 UNL111111111 0.3256 43 H -5.5765 -1.0888 0.4592 H 1 UNL111111111 0.3265 44 H -0.5097 5.1282 0.8387 H 1 UNL111111111 0.1676 45 H -0.9272 -0.8878 3.3042 H 1 UNL111111111 0.3223 46 H -3.1748 3.6539 1.2793 H 1 UNL111111111 0.1676 47 H -2.8751 4.8348 -0.0007 H 1 UNL111111111 0.1640 48 H -3.4632 3.2255 -0.4212 H 1 UNL111111111 0.1750 49 H 4.8832 0.5698 0.3953 H 1 UNL111111111 0.1855 50 H 4.3799 -4.1213 0.2102 H 1 UNL111111111 0.1781 51 H 2.7003 -4.2914 0.7035 H 1 UNL111111111 0.1587 52 H 3.1509 -4.3348 -1.0277 H 1 UNL111111111 0.1508 53 H 1.7850 5.3084 1.0201 H 1 UNL111111111 0.3220 54 H 1.0817 -3.5210 -0.8502 H 1 UNL111111111 0.3359 55 H 6.0639 -1.3873 0.8048 H 1 UNL111111111 0.3363 @BOND 1 1 15 1 2 1 16 1 3 2 16 1 4 2 18 1 5 3 12 1 6 3 41 1 7 4 13 1 8 4 42 1 9 5 14 1 10 5 43 1 11 6 17 1 12 6 45 1 13 7 26 1 14 7 53 1 15 8 22 2 16 9 25 2 17 10 29 1 18 10 54 1 19 11 32 1 20 11 55 1 21 12 13 1 22 12 14 1 23 12 34 1 24 13 15 1 25 13 35 1 26 14 16 1 27 14 36 1 28 15 17 1 29 15 37 1 30 16 38 1 31 17 39 1 32 17 40 1 33 18 19 ar 34 18 21 ar 35 19 20 ar 36 19 22 1 37 20 25 1 38 20 26 ar 39 21 27 ar 40 21 28 1 41 22 23 1 42 23 24 ar 43 23 29 ar 44 24 25 1 45 24 30 ar 46 26 27 ar 47 27 44 1 48 28 46 1 49 28 47 1 50 28 48 1 51 29 31 ar 52 30 32 ar 53 30 49 1 54 31 32 ar 55 31 33 1 56 33 50 1 57 33 51 1 58 33 52 1