@MOLECULE (3r,4s)-3-acetyl-1,4,7-trihydroxy-2,6,10,13-tetramethoxy-4-methyl-4,5-dihydro-3h-naphtho[2',1':6,7]cyclohepta[1,2-a]naphthalene-8,11,12,15-tetrone 68 72 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6201 -3.7723 -0.3145 O.3 1 UNL1111111111 -0.5783 2 O 1.8157 -3.8365 1.0183 O.3 1 UNL1111111111 -0.2986 3 O -4.0282 -0.8502 -1.8161 O.3 1 UNL1111111111 -0.2890 4 O -2.6949 -1.8783 1.5272 O.2 1 UNL1111111111 -0.4861 5 O 4.1923 -2.4597 0.3260 O.3 1 UNL1111111111 -0.4862 6 O -4.6139 1.5968 -0.5495 O.3 1 UNL1111111111 -0.4728 7 O 0.5050 1.5109 -2.0708 O.2 1 UNL1111111111 -0.3262 8 O 0.8012 1.0887 1.7758 O.2 1 UNL1111111111 -0.4220 9 O 2.3760 3.3329 -1.7306 O.2 1 UNL1111111111 -0.2333 10 O 0.7935 3.9748 1.8963 O.2 1 UNL1111111111 -0.2697 11 O 5.2162 -0.3211 -0.6965 O.2 1 UNL1111111111 -0.5134 12 O -3.6978 3.5745 0.8653 O.2 1 UNL1111111111 -0.5000 13 C -1.3782 -3.2069 -0.6422 C.3 1 UNL1111111111 0.3711 14 C -0.6427 -2.7924 0.6785 C.3 1 UNL1111111111 -0.3005 15 C -1.5901 -2.0484 -1.6492 C.3 1 UNL1111111111 -0.3440 16 C 0.5864 -2.0126 0.3357 C.ar 1 UNL1111111111 -0.0389 17 C -1.8719 -0.7386 -0.9990 C.ar 1 UNL1111111111 -0.0110 18 C 0.4807 -0.7163 -0.2208 C.ar 1 UNL1111111111 0.0522 19 C -0.8456 -0.0819 -0.2830 C.ar 1 UNL1111111111 0.0182 20 C -0.6151 -4.3534 -1.3188 C.3 1 UNL1111111111 -0.4837 21 C -1.5097 -2.0477 1.6857 C.2 1 UNL1111111111 0.5294 22 C 1.6118 -0.0596 -0.6825 C.ar 1 UNL1111111111 -0.1129 23 C 1.8451 -2.5842 0.5051 C.ar 1 UNL1111111111 0.1463 24 C -1.1004 1.1120 0.3767 C.ar 1 UNL1111111111 -0.1111 25 C -3.1351 -0.1595 -1.0710 C.ar 1 UNL1111111111 0.1551 26 C 2.8939 -0.6038 -0.4680 C.ar 1 UNL1111111111 -0.2614 27 C -2.3598 1.7359 0.2663 C.ar 1 UNL1111111111 -0.2672 28 C 3.0098 -1.8639 0.1135 C.ar 1 UNL1111111111 0.2654 29 C -3.3777 1.0933 -0.4350 C.ar 1 UNL1111111111 0.2838 30 C -0.8182 -1.5731 2.9239 C.3 1 UNL1111111111 -0.5551 31 C 1.4828 1.2003 -1.4446 C.2 1 UNL1111111111 0.4113 32 C -0.0804 1.7254 1.2491 C.2 1 UNL1111111111 0.4258 33 C 4.1045 0.1781 -0.7977 C.2 1 UNL1111111111 0.5354 34 C -2.5835 3.0740 0.8495 C.2 1 UNL1111111111 0.5313 35 C 2.7163 2.0740 -1.4389 C.2 1 UNL1111111111 0.1882 36 C -0.2278 3.1953 1.5023 C.2 1 UNL1111111111 0.1821 37 C 3.9390 1.5741 -1.1832 C.2 1 UNL1111111111 -0.4518 38 C -1.4243 3.8007 1.3601 C.2 1 UNL1111111111 -0.3845 39 C 3.0407 -4.4251 1.4425 C.3 1 UNL1111111111 -0.1864 40 C -5.4127 -0.6003 -1.5888 C.3 1 UNL1111111111 -0.1911 41 C 3.4291 4.2953 -1.7847 C.3 1 UNL1111111111 -0.2189 42 C 2.0634 3.3656 2.1235 C.3 1 UNL1111111111 -0.2014 43 H -0.3762 -3.7625 1.1919 H 1 UNL1111111111 0.1994 44 H -2.4185 -2.3510 -2.3318 H 1 UNL1111111111 0.1868 45 H -0.7006 -1.9558 -2.3093 H 1 UNL1111111111 0.1728 46 H 0.4386 -4.1063 -1.4758 H 1 UNL1111111111 0.1548 47 H -1.0656 -4.6071 -2.2858 H 1 UNL1111111111 0.1618 48 H -0.6645 -5.2642 -0.7068 H 1 UNL1111111111 0.1650 49 H -3.1905 -3.1053 0.1393 H 1 UNL1111111111 0.3527 50 H -1.5168 -1.0675 3.6077 H 1 UNL1111111111 0.1834 51 H -0.0142 -0.8544 2.6873 H 1 UNL1111111111 0.2001 52 H -0.3537 -2.4009 3.4740 H 1 UNL1111111111 0.1731 53 H 4.8555 2.1553 -1.2414 H 1 UNL1111111111 0.1955 54 H -1.5779 4.8534 1.5979 H 1 UNL1111111111 0.2023 55 H 4.9583 -1.8589 -0.0015 H 1 UNL1111111111 0.3874 56 H -4.6877 2.4837 -0.0417 H 1 UNL1111111111 0.3842 57 H 3.6756 -4.6519 0.5784 H 1 UNL1111111111 0.1494 58 H 2.6902 -5.3485 1.9222 H 1 UNL1111111111 0.1461 59 H 3.5640 -3.7860 2.1603 H 1 UNL1111111111 0.1451 60 H -5.6559 -0.5897 -0.5217 H 1 UNL1111111111 0.1471 61 H -5.8812 -1.4606 -2.0850 H 1 UNL1111111111 0.1457 62 H -5.7048 0.3393 -2.0719 H 1 UNL1111111111 0.1500 63 H 3.9301 4.3827 -0.8162 H 1 UNL1111111111 0.1405 64 H 4.1374 4.0518 -2.5830 H 1 UNL1111111111 0.1458 65 H 2.8795 5.2177 -2.0226 H 1 UNL1111111111 0.1640 66 H 2.0170 2.6757 2.9742 H 1 UNL1111111111 0.1574 67 H 2.4298 2.8565 1.2272 H 1 UNL1111111111 0.1417 68 H 2.6872 4.2368 2.3620 H 1 UNL1111111111 0.1475 @BOND 1 1 13 1 2 1 49 1 3 2 23 1 4 2 39 1 5 3 25 1 6 3 40 1 7 4 21 2 8 5 28 1 9 5 55 1 10 6 29 1 11 6 56 1 12 7 31 2 13 8 32 2 14 9 35 1 15 9 41 1 16 10 36 1 17 10 42 1 18 11 33 2 19 12 34 2 20 13 14 1 21 13 15 1 22 13 20 1 23 14 16 1 24 14 21 1 25 14 43 1 26 15 17 1 27 15 44 1 28 15 45 1 29 16 18 ar 30 16 23 ar 31 17 19 ar 32 17 25 ar 33 18 19 1 34 18 22 ar 35 19 24 ar 36 20 46 1 37 20 47 1 38 20 48 1 39 21 30 1 40 22 26 ar 41 22 31 1 42 23 28 ar 43 24 27 ar 44 24 32 1 45 25 29 ar 46 26 28 ar 47 26 33 1 48 27 29 ar 49 27 34 1 50 30 50 1 51 30 51 1 52 30 52 1 53 31 35 1 54 32 36 1 55 33 37 1 56 34 38 1 57 35 37 2 58 36 38 2 59 37 53 1 60 38 54 1 61 39 57 1 62 39 58 1 63 39 59 1 64 40 60 1 65 40 61 1 66 40 62 1 67 41 63 1 68 41 64 1 69 41 65 1 70 42 66 1 71 42 67 1 72 42 68 1