@MOLECULE 4,5-dihydroxy-7-methyl-10-oxo-9,10-dihydro-2-anthracenyl 2,3-di-o-acetyl-6-deoxy-alpha-l-mannopyranoside 52 55 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.8065 -1.4234 0.5447 O.3 1 UNL111111 -0.4350 2 O 5.3861 0.5764 0.6902 O.3 1 UNL111111 -0.4085 3 O 1.4019 0.6723 -0.3589 O.3 1 UNL111111 -0.4029 4 O 4.3039 -1.3513 -0.7842 O.3 1 UNL111111 -0.4081 5 O 3.9167 0.1483 3.0768 O.3 1 UNL111111 -0.5207 6 O -2.2615 3.4573 -0.4378 O.3 1 UNL111111 -0.3215 7 O 5.2766 2.2765 -0.7747 O.2 1 UNL111111 -0.5039 8 O 3.4549 -1.7104 -2.8503 O.2 1 UNL111111 -0.4772 9 O -4.6643 2.5081 -0.2131 O.2 1 UNL111111 -0.3699 10 O -6.9451 1.6588 -0.0053 O.3 1 UNL111111 0.0384 11 C 3.9697 0.4579 0.6681 C.3 1 UNL111111 0.0460 12 C 3.6529 -0.4777 1.8490 C.3 1 UNL111111 0.0711 13 C 3.5162 -0.1734 -0.6568 C.3 1 UNL111111 0.0184 14 C 2.1621 -0.8973 1.8222 C.3 1 UNL111111 0.0989 15 C 2.0320 -0.5848 -0.5391 C.3 1 UNL111111 0.2727 16 C 1.8991 -2.0526 2.7756 C.3 1 UNL111111 -0.4615 17 C 0.0449 0.7496 -0.3572 C.ar 1 UNL111111 0.2367 18 C -2.2239 -0.1307 -0.2218 C.ar 1 UNL111111 0.0917 19 C -3.0902 -1.3479 -0.1304 C.3 1 UNL111111 -0.3084 20 C -0.8214 -0.3513 -0.2639 C.ar 1 UNL111111 -0.2164 21 C -2.7365 1.1438 -0.2640 C.ar 1 UNL111111 -0.2246 22 C -4.5645 -1.0994 -0.0378 C.ar 1 UNL111111 0.0577 23 C 5.9423 1.5465 -0.0885 C.2 1 UNL111111 0.6231 24 C -0.4104 2.0534 -0.4172 C.ar 1 UNL111111 -0.2608 25 C 4.2099 -2.0378 -1.9572 C.2 1 UNL111111 0.3083 26 C -5.0608 0.2209 -0.0734 C.ar 1 UNL111111 -0.2050 27 C -1.8478 2.3152 -0.3765 C.ar 1 UNL111111 0.4016 28 C -4.1851 1.3980 -0.1921 C.2 1 UNL111111 0.4555 29 C -5.4037 -2.1955 0.0879 C.ar 1 UNL111111 -0.1865 30 C -6.4633 0.4563 0.0175 C.ar 1 UNL111111 0.0857 31 C 7.4205 1.5117 0.0696 C.3 1 UNL111111 -0.5084 32 C 5.1067 -3.1827 -1.9826 C.3 1 UNL111111 0.3300 33 C -6.8340 -2.0148 0.1834 C.ar 1 UNL111111 -0.3948 34 C -7.2177 -0.6863 0.1335 C.ar 1 UNL111111 -0.0472 35 C -7.6957 -3.0520 0.3099 C.3 1 UNL111111 0.4148 36 H 3.5095 1.4695 0.7882 H 1 UNL111111 0.1717 37 H 4.3427 -1.3533 1.8599 H 1 UNL111111 0.1762 38 H 3.6939 0.4978 -1.5307 H 1 UNL111111 0.1898 39 H 1.5012 -0.0258 2.0314 H 1 UNL111111 0.1412 40 H 1.6265 -1.1410 -1.4119 H 1 UNL111111 0.1709 41 H 2.3812 -2.9760 2.4283 H 1 UNL111111 0.1601 42 H 0.8282 -2.2619 2.8690 H 1 UNL111111 0.1571 43 H 2.2956 -1.8263 3.7765 H 1 UNL111111 0.1725 44 H 3.4954 1.0314 3.1312 H 1 UNL111111 0.3130 45 H -2.7708 -1.9545 0.7534 H 1 UNL111111 0.1801 46 H -2.8862 -2.0009 -1.0171 H 1 UNL111111 0.1848 47 H -0.4298 -1.3645 -0.2081 H 1 UNL111111 0.1819 48 H 0.2629 2.9026 -0.5022 H 1 UNL111111 0.1956 49 H -5.0129 -3.2041 0.1187 H 1 UNL111111 0.1527 50 H 7.8049 2.5099 0.3370 H 1 UNL111111 0.1897 51 H 7.9044 1.2172 -0.8752 H 1 UNL111111 0.1858 52 H 7.7483 0.8048 0.8489 H 1 UNL111111 0.1878 @BOND 1 10 30 1 2 9 28 2 3 6 27 1 4 30 34 ar 5 30 26 ar 6 28 26 1 7 28 21 1 8 27 21 ar 9 27 24 ar 10 34 33 ar 11 48 24 1 12 26 22 ar 13 21 18 ar 14 24 17 ar 15 33 35 1 16 33 29 ar 17 22 29 ar 18 22 19 1 19 18 19 1 20 18 20 ar 21 17 20 ar 22 17 3 1 23 29 49 1 24 19 46 1 25 19 45 1 26 20 47 1 27 3 15 1 28 7 23 2 29 38 13 1 30 36 11 1 31 40 15 1 32 15 13 1 33 15 1 1 34 23 31 1 35 23 2 1 36 13 11 1 37 13 4 1 38 39 14 1 39 50 31 1 40 11 2 1 41 11 12 1 42 8 25 2 43 44 5 1 44 31 51 1 45 31 52 1 46 1 14 1 47 14 12 1 48 14 16 1 49 4 25 1 50 25 32 1 51 12 5 1 52 12 37 1 53 42 16 1 54 16 43 1 55 16 41 1