@MOLECULE (2s,3s,5s)-5-{[(1s,3s)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl]oxy}-2-methyltetrahydro-3-furancarbaldehyde 63 67 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.9827 0.6145 -0.1343 C.3 1 UNL1 0.1502 2 C -2.3664 3.0858 0.2025 C.3 1 UNL1 0.2082 3 C -2.8259 -1.6161 -0.1380 C.3 1 UNL1 0.3327 4 C -4.6019 -2.7777 1.0535 C.3 1 UNL1 -0.2838 5 C -5.0904 -1.4861 0.3427 C.3 1 UNL1 0.1645 6 C 5.9718 0.5203 0.6384 C.ar 1 UNL1 -0.1773 7 C 6.4297 -1.7713 0.0267 C.ar 1 UNL1 -0.2912 8 C 6.8711 -0.5403 0.4815 C.ar 1 UNL1 -0.0563 9 C -3.9934 3.3166 -1.7904 C.3 1 UNL1 -0.5433 10 C -6.3925 -1.6164 -0.4269 C.3 1 UNL1 -0.4882 11 C 5.3948 -4.2323 -0.8316 C.3 1 UNL1 -0.2285 12 H 0.6244 -1.9423 -1.0346 H 1 UNL1 0.3843 13 H 2.7332 3.6121 1.0423 H 1 UNL1 0.3784 14 H -2.8894 4.8699 0.9154 H 1 UNL1 0.3219 15 C 0.4237 -0.1343 -0.3342 C.ar 1 UNL1 0.3555 16 C 1.3723 2.3111 0.5358 C.ar 1 UNL1 0.2940 17 C 5.0691 -1.9487 -0.2805 C.ar 1 UNL1 0.2831 18 O 2.3003 -2.1132 -0.9200 O.2 1 UNL1 -0.4989 19 O 4.1536 2.5694 0.8724 O.2 1 UNL1 -0.4962 20 O -1.6565 3.6600 -2.0096 O.2 1 UNL1 -0.4355 21 O -6.0151 -4.6762 0.8844 O.2 1 UNL1 -0.4402 22 C -0.9122 3.3099 0.6308 C.3 1 UNL1 -0.3306 23 C -2.8410 1.6813 0.5617 C.3 1 UNL1 -0.3479 24 C -3.0737 -2.7230 0.9044 C.3 1 UNL1 -0.3292 25 O -0.1113 -1.2529 -0.8389 O.3 1 UNL1 -0.4834 26 O 1.7231 3.5402 0.9480 O.3 1 UNL1 -0.4706 27 O -3.2273 3.9515 0.9185 O.3 1 UNL1 -0.5502 28 C -2.5864 3.3831 -1.2990 C.2 1 UNL1 0.4354 29 O -2.2276 -0.5757 0.6001 O.3 1 UNL1 -0.4361 30 O 4.5368 -3.0994 -0.7387 O.3 1 UNL1 -0.2292 31 C 2.7206 -1.0693 -0.4388 C.2 1 UNL1 0.5199 32 C 3.7066 1.4869 0.5259 C.2 1 UNL1 0.4958 33 C 1.7932 0.0325 -0.1522 C.ar 1 UNL1 -0.2748 34 C 2.2755 1.2844 0.3066 C.ar 1 UNL1 -0.2397 35 C -0.5095 0.9027 -0.0194 C.ar 1 UNL1 -0.1037 36 C -0.0402 2.1311 0.3692 C.ar 1 UNL1 0.0234 37 C 4.1476 -0.8940 -0.1287 C.ar 1 UNL1 -0.2321 38 C 4.6293 0.3377 0.3360 C.ar 1 UNL1 -0.0324 39 C -5.1593 -4.0038 0.3670 C.2 1 UNL1 0.3488 40 O -4.0811 -1.1920 -0.6251 O.3 1 UNL1 -0.4692 41 H -2.2400 -1.8745 -1.0389 H 1 UNL1 0.1489 42 H -2.2695 0.4988 -1.2075 H 1 UNL1 0.1490 43 H -0.4887 4.2042 0.1104 H 1 UNL1 0.1922 44 H -0.8783 3.5645 1.7166 H 1 UNL1 0.1842 45 H -3.9098 1.5378 0.3139 H 1 UNL1 0.1703 46 H -2.7896 1.5414 1.6641 H 1 UNL1 0.1850 47 H 6.3231 1.4910 0.9973 H 1 UNL1 0.1843 48 H 7.1354 -2.5882 -0.0936 H 1 UNL1 0.1677 49 H -2.6309 -3.6806 0.5912 H 1 UNL1 0.1564 50 H -2.5822 -2.4640 1.8643 H 1 UNL1 0.1791 51 H 7.9258 -0.3912 0.7195 H 1 UNL1 0.1554 52 H -4.9091 -2.7710 2.1226 H 1 UNL1 0.1759 53 H -5.1139 -0.6363 1.0604 H 1 UNL1 0.1317 54 H -4.1217 3.8718 -2.7307 H 1 UNL1 0.1774 55 H -4.2914 2.2754 -1.9899 H 1 UNL1 0.1830 56 H -4.7045 3.7217 -1.0535 H 1 UNL1 0.1850 57 H -4.7565 -4.2566 -0.6212 H 1 UNL1 0.1160 58 H -6.2726 -2.2337 -1.3277 H 1 UNL1 0.1643 59 H -7.1820 -2.0653 0.1893 H 1 UNL1 0.1655 60 H -6.7499 -0.6366 -0.7690 H 1 UNL1 0.1611 61 H 4.6978 -5.0051 -1.1907 H 1 UNL1 0.1651 62 H 6.1880 -4.0688 -1.5666 H 1 UNL1 0.1375 63 H 5.7958 -4.5094 0.1472 H 1 UNL1 0.1373 @BOND 1 54 9 1 2 20 28 2 3 55 9 1 4 9 28 1 5 9 56 1 6 62 11 1 7 58 10 1 8 28 2 1 9 42 1 1 10 61 11 1 11 41 3 1 12 12 25 1 13 18 31 2 14 25 15 1 15 11 30 1 16 11 63 1 17 60 10 1 18 30 17 1 19 40 3 1 20 40 5 1 21 57 39 1 22 31 33 1 23 31 37 1 24 10 59 1 25 10 5 1 26 15 33 ar 27 15 35 ar 28 17 37 ar 29 17 7 ar 30 33 34 ar 31 3 29 1 32 3 24 1 33 1 35 1 34 1 23 1 35 1 29 1 36 37 38 ar 37 48 7 1 38 35 36 ar 39 7 8 ar 40 43 22 1 41 2 23 1 42 2 22 1 43 2 27 1 44 34 32 1 45 34 16 ar 46 45 23 1 47 38 32 1 48 38 6 ar 49 5 4 1 50 5 53 1 51 39 21 2 52 39 4 1 53 36 16 ar 54 36 22 1 55 8 6 ar 56 8 51 1 57 32 19 2 58 16 26 1 59 23 46 1 60 49 24 1 61 22 44 1 62 6 47 1 63 24 4 1 64 24 50 1 65 14 27 1 66 26 13 1 67 4 52 1