@MOLECULE (1alpha,1'xi)-6,6',7-trimethoxy-2,2'-dimethyloxyacanthan-12'-ol 85 91 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.8767 0.2229 0.1102 O.3 1 UNL111111111 -0.2642 2 O 0.9499 -1.7901 2.0607 O.3 1 UNL111111111 -0.3070 3 O 1.9801 -1.3884 -1.7077 O.3 1 UNL111111111 -0.2711 4 O 3.5802 -2.5413 3.0886 O.3 1 UNL111111111 -0.3099 5 O -2.7334 3.6602 -0.0672 O.3 1 UNL111111111 -0.2914 6 O -4.5065 3.9021 1.8941 O.3 1 UNL111111111 -0.4354 7 N 4.4065 1.4074 -1.7370 N.3 1 UNL111111111 -0.4210 8 N -4.0722 -3.2858 -0.5518 N.3 1 UNL111111111 -0.4159 9 C 3.1534 1.4072 -0.9506 C.3 1 UNL111111111 0.0890 10 C -3.4597 -1.9581 -0.2990 C.3 1 UNL111111111 0.0673 11 C 3.2471 0.3472 0.1158 C.ar 1 UNL111111111 -0.1359 12 C -2.0094 -1.8601 -0.7104 C.ar 1 UNL111111111 -0.1154 13 C 5.5815 1.6432 -0.8707 C.3 1 UNL111111111 -0.1042 14 C 4.4790 -0.0890 0.6170 C.ar 1 UNL111111111 0.0904 15 C 5.7656 0.4109 0.0376 C.3 1 UNL111111111 -0.2829 16 C 2.8234 2.7702 -0.2623 C.3 1 UNL111111111 -0.3417 17 C -3.7624 -3.7554 -1.9152 C.3 1 UNL111111111 -0.1048 18 C -1.4586 -2.7448 -1.6348 C.ar 1 UNL111111111 0.0446 19 C -2.2555 -3.8676 -2.2230 C.3 1 UNL111111111 -0.3286 20 C -4.2997 -0.8940 -1.0625 C.3 1 UNL111111111 -0.2978 21 C 2.0824 -0.2375 0.6115 C.ar 1 UNL111111111 0.1885 22 C -1.2117 -0.8721 -0.1194 C.ar 1 UNL111111111 -0.1555 23 C 4.3619 2.3456 -2.8739 C.3 1 UNL111111111 -0.2719 24 C 4.5318 -1.0602 1.6140 C.ar 1 UNL111111111 -0.3068 25 C 0.1249 -0.7845 -0.4648 C.ar 1 UNL111111111 0.1125 26 C -0.1125 -2.6329 -2.0113 C.ar 1 UNL111111111 -0.2991 27 C 1.3462 2.9782 -0.1958 C.ar 1 UNL111111111 -0.0024 28 C -3.6587 -4.2665 0.4750 C.3 1 UNL111111111 -0.2765 29 C 2.1092 -1.1948 1.6331 C.ar 1 UNL111111111 -0.0279 30 C -4.3683 0.3734 -0.2745 C.ar 1 UNL111111111 -0.0079 31 C 0.6779 -1.6491 -1.4362 C.ar 1 UNL111111111 0.1765 32 C 3.3501 -1.6161 2.1235 C.ar 1 UNL111111111 0.2253 33 C 0.6727 3.4969 -1.3059 C.ar 1 UNL111111111 -0.1400 34 C 0.6397 2.6495 0.9658 C.ar 1 UNL111111111 -0.1075 35 C -3.4587 1.4035 -0.5265 C.ar 1 UNL111111111 -0.1965 36 C -5.3393 0.5266 0.7166 C.ar 1 UNL111111111 -0.1396 37 C -3.5327 2.5779 0.2124 C.ar 1 UNL111111111 0.1304 38 C -0.7043 3.6904 -1.2671 C.ar 1 UNL111111111 -0.1985 39 C -0.7391 2.8288 1.0217 C.ar 1 UNL111111111 -0.2110 40 C -1.3827 3.3523 -0.0977 C.ar 1 UNL111111111 0.1891 41 C -5.4201 1.7029 1.4602 C.ar 1 UNL111111111 -0.2664 42 C -4.5123 2.7297 1.2097 C.ar 1 UNL111111111 0.1957 43 C 0.1611 -0.9144 2.8696 C.3 1 UNL111111111 -0.2060 44 C 2.6748 -2.3282 -2.5160 C.3 1 UNL111111111 -0.2111 45 C 2.4963 -3.3828 3.4642 C.3 1 UNL111111111 -0.1902 46 H 2.3238 1.1392 -1.6664 H 1 UNL111111111 0.1733 47 H -3.5497 -1.7577 0.8033 H 1 UNL111111111 0.1496 48 H 5.4900 2.5627 -0.2545 H 1 UNL111111111 0.1170 49 H 6.4815 1.7718 -1.5076 H 1 UNL111111111 0.1290 50 H 6.4954 0.6452 0.8368 H 1 UNL111111111 0.1479 51 H 6.2146 -0.4134 -0.5620 H 1 UNL111111111 0.1634 52 H 3.3048 3.5995 -0.8146 H 1 UNL111111111 0.1481 53 H 3.2785 2.7962 0.7473 H 1 UNL111111111 0.1577 54 H -4.2405 -3.0459 -2.6284 H 1 UNL111111111 0.1433 55 H -4.2605 -4.7347 -2.0744 H 1 UNL111111111 0.1328 56 H -2.1092 -3.9137 -3.3205 H 1 UNL111111111 0.1529 57 H -1.8641 -4.8295 -1.8294 H 1 UNL111111111 0.1544 58 H -5.3202 -1.2972 -1.2406 H 1 UNL111111111 0.1670 59 H -3.8718 -0.7234 -2.0692 H 1 UNL111111111 0.1575 60 H -1.6322 -0.1821 0.6126 H 1 UNL111111111 0.1767 61 H 5.2245 2.1406 -3.5303 H 1 UNL111111111 0.1417 62 H 4.3801 3.4110 -2.5994 H 1 UNL111111111 0.1172 63 H 3.4511 2.1541 -3.4669 H 1 UNL111111111 0.1497 64 H 5.4852 -1.4114 2.0007 H 1 UNL111111111 0.1754 65 H 0.3000 -3.3188 -2.7432 H 1 UNL111111111 0.1633 66 H -4.1012 -5.2478 0.2449 H 1 UNL111111111 0.1389 67 H -4.0607 -3.9463 1.4506 H 1 UNL111111111 0.1429 68 H -2.5680 -4.3874 0.5691 H 1 UNL111111111 0.1324 69 H 1.2267 3.7430 -2.2088 H 1 UNL111111111 0.1465 70 H 1.1694 2.2410 1.8247 H 1 UNL111111111 0.1550 71 H -2.6927 1.2946 -1.2960 H 1 UNL111111111 0.1827 72 H -6.0424 -0.2821 0.9117 H 1 UNL111111111 0.1562 73 H -1.2460 4.0945 -2.1172 H 1 UNL111111111 0.1653 74 H -1.3062 2.5788 1.9135 H 1 UNL111111111 0.1635 75 H -6.1798 1.8147 2.2263 H 1 UNL111111111 0.1537 76 H -0.0803 0.0107 2.3322 H 1 UNL111111111 0.1480 77 H 0.6794 -0.6910 3.8052 H 1 UNL111111111 0.1221 78 H -0.7437 -1.5053 3.0482 H 1 UNL111111111 0.1413 79 H 2.2597 -2.3574 -3.5266 H 1 UNL111111111 0.1300 80 H 2.6838 -3.3171 -2.0503 H 1 UNL111111111 0.1334 81 H 3.6880 -1.8962 -2.5281 H 1 UNL111111111 0.1648 82 H 2.0128 -3.8298 2.5887 H 1 UNL111111111 0.1468 83 H 1.7733 -2.8224 4.0641 H 1 UNL111111111 0.1370 84 H 2.9974 -4.1494 4.0678 H 1 UNL111111111 0.1384 85 H -5.2665 3.9561 2.5244 H 1 UNL111111111 0.3155 @BOND 1 1 21 1 2 1 25 1 3 2 29 1 4 2 43 1 5 3 31 1 6 3 44 1 7 4 32 1 8 4 45 1 9 5 37 1 10 5 40 1 11 6 42 1 12 6 85 1 13 7 9 1 14 7 13 1 15 7 23 1 16 8 10 1 17 8 17 1 18 8 28 1 19 9 11 1 20 9 16 1 21 9 46 1 22 10 12 1 23 10 20 1 24 10 47 1 25 11 14 ar 26 11 21 ar 27 12 18 ar 28 12 22 ar 29 13 15 1 30 13 48 1 31 13 49 1 32 14 15 1 33 14 24 ar 34 15 50 1 35 15 51 1 36 16 27 1 37 16 52 1 38 16 53 1 39 17 19 1 40 17 54 1 41 17 55 1 42 18 19 1 43 18 26 ar 44 19 56 1 45 19 57 1 46 20 30 1 47 20 58 1 48 20 59 1 49 21 29 ar 50 22 25 ar 51 22 60 1 52 23 61 1 53 23 62 1 54 23 63 1 55 24 32 ar 56 24 64 1 57 25 31 ar 58 26 31 ar 59 26 65 1 60 27 33 ar 61 27 34 ar 62 28 66 1 63 28 67 1 64 28 68 1 65 29 32 ar 66 30 35 ar 67 30 36 ar 68 33 38 ar 69 33 69 1 70 34 39 ar 71 34 70 1 72 35 37 ar 73 35 71 1 74 36 41 ar 75 36 72 1 76 37 42 ar 77 38 40 ar 78 38 73 1 79 39 40 ar 80 39 74 1 81 41 42 ar 82 41 75 1 83 43 76 1 84 43 77 1 85 43 78 1 86 44 79 1 87 44 80 1 88 44 81 1 89 45 82 1 90 45 83 1 91 45 84 1