@MOLECULE (1s)-5-deoxy-1-o-methyl-1-c-[(2r,3s)-3,5,7,10-tetrahydroxy-4-oxo-1,2,3,4-tetrahydro-2-anthracenyl]-d-xylulose 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9251 1.0987 2.1199 O.3 1 UNL1111111111 -0.3498 2 O -2.0281 2.9237 -0.7730 O.3 1 UNL1111111111 -0.5704 3 O 0.5773 3.2306 -1.0960 O.2 1 UNL1111111111 -0.4492 4 O -3.5132 -1.4648 1.4497 O.2 1 UNL1111111111 -0.4424 5 O 2.9234 2.3522 -1.0079 O.3 1 UNL1111111111 -0.3926 6 O -3.9937 -0.2190 -1.7338 O.3 1 UNL1111111111 -0.4946 7 O -3.0013 -2.8208 -1.0712 O.3 1 UNL1111111111 -0.5378 8 O 5.3166 1.2366 -1.0206 O.3 1 UNL1111111111 -0.5275 9 O 5.8969 -3.1012 0.6778 O.3 1 UNL1111111111 -0.4601 10 C -1.6738 0.7764 0.1687 C.3 1 UNL1111111111 -0.1347 11 C -0.7298 -0.0208 1.0751 C.3 1 UNL1111111111 -0.3220 12 C -1.1669 2.2211 0.0970 C.3 1 UNL1111111111 0.0453 13 C -3.1023 0.7824 0.7523 C.3 1 UNL1111111111 -0.0016 14 C 0.6897 0.0354 0.6178 C.ar 1 UNL1111111111 0.2000 15 C 1.1756 1.1891 -0.0490 C.ar 1 UNL1111111111 -0.3677 16 C 0.2782 2.2784 -0.4119 C.2 1 UNL1111111111 0.4526 17 C -3.6871 -0.6140 0.6146 C.2 1 UNL1111111111 0.3740 18 C 1.5199 -1.0278 0.8846 C.ar 1 UNL1111111111 -0.3448 19 C 2.5293 1.2333 -0.3980 C.ar 1 UNL1111111111 0.4450 20 C -4.5010 -0.9362 -0.6364 C.3 1 UNL1111111111 -0.0439 21 C 2.8882 -0.9998 0.5192 C.ar 1 UNL1111111111 0.2456 22 C 3.4225 0.1535 -0.1234 C.ar 1 UNL1111111111 -0.3400 23 C -4.3594 -2.4458 -0.9848 C.3 1 UNL1111111111 0.1807 24 C 4.8085 0.1192 -0.4420 C.ar 1 UNL1111111111 0.4121 25 C 3.7119 -2.1156 0.7973 C.ar 1 UNL1111111111 -0.4436 26 C -4.1028 1.5348 2.7712 C.3 1 UNL1111111111 -0.2075 27 C -4.9460 -2.7527 -2.3554 C.3 1 UNL1111111111 -0.4626 28 C 5.0455 -2.0784 0.4479 C.ar 1 UNL1111111111 0.4052 29 C 5.6302 -0.9545 -0.1779 C.ar 1 UNL1111111111 -0.4442 30 H -1.7035 0.3362 -0.8632 H 1 UNL1111111111 0.1865 31 H -1.0881 -1.0683 1.1704 H 1 UNL1111111111 0.1728 32 H -0.7811 0.3723 2.1219 H 1 UNL1111111111 0.1919 33 H -1.2469 2.7301 1.0869 H 1 UNL1111111111 0.1629 34 H -3.7354 1.5510 0.2552 H 1 UNL1111111111 0.1553 35 H 1.1373 -1.9179 1.3775 H 1 UNL1111111111 0.1727 36 H -5.5719 -0.6878 -0.4661 H 1 UNL1111111111 0.1378 37 H -1.5023 3.4532 -1.4214 H 1 UNL1111111111 0.3484 38 H -4.8381 -3.0488 -0.1764 H 1 UNL1111111111 0.1227 39 H 3.2795 -2.9807 1.2855 H 1 UNL1111111111 0.1768 40 H -4.5169 2.4231 2.2933 H 1 UNL1111111111 0.1254 41 H -3.7406 1.7772 3.7786 H 1 UNL1111111111 0.1502 42 H -4.8434 0.7328 2.8258 H 1 UNL1111111111 0.1246 43 H -4.4593 -2.1392 -3.1306 H 1 UNL1111111111 0.1807 44 H -4.7621 -3.8008 -2.6262 H 1 UNL1111111111 0.1597 45 H -6.0217 -2.5661 -2.3955 H 1 UNL1111111111 0.1430 46 H 3.8865 2.3371 -1.2659 H 1 UNL1111111111 0.3473 47 H 6.6849 -0.9683 -0.4256 H 1 UNL1111111111 0.1911 48 H -4.3406 0.6993 -1.7525 H 1 UNL1111111111 0.3106 49 H -2.5527 -2.6931 -0.2092 H 1 UNL1111111111 0.3176 50 H 6.2457 1.1268 -1.3425 H 1 UNL1111111111 0.3634 51 H 5.4521 -3.8738 1.1116 H 1 UNL1111111111 0.3350 @BOND 1 1 13 1 2 1 26 1 3 2 12 1 4 2 37 1 5 3 16 2 6 4 17 2 7 5 19 1 8 5 46 1 9 6 20 1 10 6 48 1 11 7 23 1 12 7 49 1 13 8 24 1 14 8 50 1 15 9 28 1 16 9 51 1 17 10 11 1 18 10 12 1 19 10 13 1 20 10 30 1 21 11 14 1 22 11 31 1 23 11 32 1 24 12 16 1 25 12 33 1 26 13 17 1 27 13 34 1 28 14 15 ar 29 14 18 ar 30 15 16 1 31 15 19 ar 32 17 20 1 33 18 21 ar 34 18 35 1 35 19 22 ar 36 20 23 1 37 20 36 1 38 21 22 ar 39 21 25 ar 40 22 24 ar 41 23 27 1 42 23 38 1 43 24 29 ar 44 25 28 ar 45 25 39 1 46 26 40 1 47 26 41 1 48 26 42 1 49 27 43 1 50 27 44 1 51 27 45 1 52 28 29 ar 53 29 47 1