@MOLECULE 3,8,9-trihydroxy-7-(10-hydroxy-7,9-dimethoxy-1,3-dimethylbenzo[g]isochroman-5-yl)-3-methyl-2,3,4-trihydroanthracen-1-one 72 77 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.2666 -4.1721 0.4502 O.3 1 UNL11 -0.4209 2 O 8.4342 0.6646 0.5593 O.3 1 UNL11 -0.5846 3 O -5.6869 -0.9644 -0.2825 O.3 1 UNL11 -0.4713 4 O 2.7735 0.2007 -2.1997 O.3 1 UNL11 -0.3954 5 O 0.2666 0.0522 -1.4410 O.3 1 UNL11 -0.5293 6 O 5.2074 0.0133 -2.7828 O.2 1 UNL11 -0.4429 7 O -6.0378 1.6266 -0.3599 O.3 1 UNL11 -0.3955 8 O -2.1970 4.4277 0.4785 O.3 1 UNL11 -0.2946 9 C -2.2091 -1.5867 0.4306 C.ar 1 UNL11 0.1573 10 C 7.2046 0.0956 0.1371 C.3 1 UNL11 0.3642 11 C -3.5703 -1.7859 0.1261 C.ar 1 UNL11 -0.2622 12 C -1.3278 -2.7712 0.6540 C.3 1 UNL11 -0.3549 13 C -1.6992 -0.3037 0.5478 C.ar 1 UNL11 -0.2031 14 C 6.2071 0.5877 1.1979 C.3 1 UNL11 -0.3470 15 C -4.1438 -3.1670 -0.0158 C.3 1 UNL11 0.1816 16 C -1.9242 -4.0348 0.0142 C.3 1 UNL11 0.1510 17 C 4.7820 0.4001 0.7924 C.ar 1 UNL11 0.1745 18 C 6.8472 0.6739 -1.2354 C.3 1 UNL11 -0.4567 19 C 4.4156 0.3168 -0.5748 C.ar 1 UNL11 -0.3610 20 C -2.5333 0.8374 0.3768 C.ar 1 UNL11 0.1707 21 C -0.2849 -0.1108 0.8692 C.ar 1 UNL11 -0.1777 22 C -4.3928 -0.6826 -0.0304 C.ar 1 UNL11 0.3595 23 C -3.9101 0.6550 0.0655 C.ar 1 UNL11 -0.2912 24 C 2.0445 0.1549 0.1085 C.ar 1 UNL11 -0.2785 25 C 5.4345 0.3043 -1.6338 C.2 1 UNL11 0.5132 26 C 2.4509 0.1941 1.4660 C.ar 1 UNL11 0.1693 27 C 3.0614 0.2232 -0.8957 C.ar 1 UNL11 0.4144 28 C 3.8258 0.3351 1.7797 C.ar 1 UNL11 -0.3393 29 C 0.6513 0.0286 -0.1402 C.ar 1 UNL11 0.3430 30 C 7.3274 -1.4270 0.1126 C.3 1 UNL11 -0.5146 31 C -4.5442 -3.4558 -1.4666 C.3 1 UNL11 -0.4882 32 C -1.2342 -5.3033 0.5091 C.3 1 UNL11 -0.4734 33 C 0.1519 -0.0694 2.2114 C.ar 1 UNL11 -0.0278 34 C 1.4837 0.0871 2.5021 C.ar 1 UNL11 -0.2708 35 C -2.0095 2.1436 0.4990 C.ar 1 UNL11 -0.3460 36 C -4.6960 1.8231 -0.1317 C.ar 1 UNL11 0.3320 37 C -2.8292 3.2412 0.3141 C.ar 1 UNL11 0.3155 38 C -4.1947 3.0991 -0.0227 C.ar 1 UNL11 -0.4100 39 C -6.5538 2.2718 -1.5206 C.3 1 UNL11 -0.1738 40 C -2.9781 5.6109 0.3772 C.3 1 UNL11 -0.2060 41 H -0.3002 -2.6012 0.2756 H 1 UNL11 0.1676 42 H -1.2150 -2.9244 1.7517 H 1 UNL11 0.1792 43 H 6.3972 1.6709 1.3914 H 1 UNL11 0.1865 44 H 6.4262 0.0928 2.1668 H 1 UNL11 0.1707 45 H -5.0128 -3.3122 0.6765 H 1 UNL11 0.1536 46 H -1.9034 -3.9672 -1.0955 H 1 UNL11 0.1188 47 H 7.5595 0.3356 -2.0119 H 1 UNL11 0.1738 48 H 6.9416 1.7805 -1.2158 H 1 UNL11 0.1857 49 H 4.1111 0.3902 2.8271 H 1 UNL11 0.1664 50 H 7.9946 -1.7740 -0.6828 H 1 UNL11 0.1537 51 H 7.7188 -1.8053 1.0646 H 1 UNL11 0.1610 52 H 6.3499 -1.8991 -0.0538 H 1 UNL11 0.1705 53 H -4.7714 -4.5204 -1.5946 H 1 UNL11 0.1553 54 H -5.4377 -2.8827 -1.7431 H 1 UNL11 0.1621 55 H -3.7502 -3.1960 -2.1720 H 1 UNL11 0.1469 56 H -1.6703 -6.1925 0.0368 H 1 UNL11 0.1572 57 H -0.1627 -5.2888 0.2891 H 1 UNL11 0.1506 58 H -1.3634 -5.4278 1.5919 H 1 UNL11 0.1603 59 H -0.5930 -0.1590 3.0046 H 1 UNL11 0.1615 60 H 1.8232 0.1290 3.5340 H 1 UNL11 0.1615 61 H -0.9588 2.2879 0.7512 H 1 UNL11 0.1966 62 H 9.1811 0.3338 0.0298 H 1 UNL11 0.3215 63 H -4.8290 3.9639 -0.1672 H 1 UNL11 0.1780 64 H -6.2293 -0.1298 -0.3625 H 1 UNL11 0.3551 65 H 1.7922 0.1270 -2.3733 H 1 UNL11 0.3495 66 H -0.7081 -0.1122 -1.5599 H 1 UNL11 0.3723 67 H -6.0152 1.9401 -2.4142 H 1 UNL11 0.1387 68 H -6.5088 3.3595 -1.4131 H 1 UNL11 0.1358 69 H -7.5980 1.9320 -1.5381 H 1 UNL11 0.1531 70 H -2.2336 6.3932 0.5847 H 1 UNL11 0.1574 71 H -3.7685 5.6267 1.1338 H 1 UNL11 0.1366 72 H -3.3827 5.7279 -0.6327 H 1 UNL11 0.1329 @BOND 1 1 15 1 2 1 16 1 3 2 62 1 4 3 22 1 5 3 64 1 6 4 27 1 7 4 65 1 8 5 29 1 9 5 66 1 10 6 25 2 11 7 36 1 12 7 39 1 13 8 37 1 14 8 40 1 15 9 11 ar 16 9 12 1 17 9 13 ar 18 10 2 1 19 10 14 1 20 10 18 1 21 10 30 1 22 11 15 1 23 11 22 ar 24 12 16 1 25 12 41 1 26 12 42 1 27 13 20 ar 28 13 21 1 29 14 17 1 30 14 43 1 31 14 44 1 32 15 31 1 33 15 45 1 34 16 32 1 35 16 46 1 36 17 19 ar 37 17 28 ar 38 18 25 1 39 18 47 1 40 18 48 1 41 19 25 1 42 19 27 ar 43 20 23 ar 44 20 35 ar 45 21 29 ar 46 21 33 ar 47 22 23 ar 48 23 36 ar 49 24 26 ar 50 24 27 ar 51 24 29 ar 52 26 28 ar 53 26 34 ar 54 28 49 1 55 30 50 1 56 30 51 1 57 30 52 1 58 31 53 1 59 31 54 1 60 31 55 1 61 32 56 1 62 32 57 1 63 32 58 1 64 33 34 ar 65 33 59 1 66 34 60 1 67 35 37 ar 68 35 61 1 69 36 38 ar 70 37 38 ar 71 38 63 1 72 39 67 1 73 39 68 1 74 39 69 1 75 40 70 1 76 40 71 1 77 40 72 1