@MOLECULE (1alpha)-6,6'-dimethoxy-2,2'-dimethyloxyacanthan-7,12'-diol 82 88 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8174 0.2594 -0.1005 O.3 1 UNL1111 -0.2304 2 O -1.7449 -1.1604 1.9333 O.3 1 UNL1111 -0.2753 3 O -2.8857 -2.5160 -3.3804 O.3 1 UNL1111 -0.3443 4 O -0.6339 -1.6405 -2.0822 O.3 1 UNL1111 -0.4203 5 O 2.5917 3.6011 0.2741 O.3 1 UNL1111 -0.2950 6 O 4.0549 4.0511 -1.9257 O.3 1 UNL1111 -0.4345 7 N -4.5258 1.1477 1.5593 N.3 1 UNL1111 -0.4229 8 N 4.1015 -3.3158 0.3214 N.3 1 UNL1111 -0.4160 9 C -3.2349 1.2477 0.8437 C.3 1 UNL1111 0.0742 10 C 3.5185 -1.9762 0.0590 C.3 1 UNL1111 0.0689 11 C -3.1933 0.1992 -0.2402 C.ar 1 UNL1111 -0.0595 12 C 2.1124 -1.8199 0.5854 C.ar 1 UNL1111 -0.1284 13 C -5.6654 1.3112 0.6306 C.3 1 UNL1111 -0.1042 14 C -4.3611 -0.3016 -0.8251 C.ar 1 UNL1111 0.0166 15 C -5.7090 0.0844 -0.3025 C.3 1 UNL1111 -0.2778 16 C 3.9378 -3.6930 1.7378 C.3 1 UNL1111 -0.1045 17 C 1.6488 -2.5995 1.6434 C.ar 1 UNL1111 0.0555 18 C -2.9566 2.6387 0.1897 C.3 1 UNL1111 -0.3345 19 C 2.4802 -3.6907 2.2435 C.3 1 UNL1111 -0.3320 20 C 4.4509 -0.9155 0.7118 C.3 1 UNL1111 -0.2977 21 C -1.9533 -0.2770 -0.6732 C.ar 1 UNL1111 0.1179 22 C 1.2663 -0.8842 -0.0218 C.ar 1 UNL1111 -0.1189 23 C -0.0175 -0.7191 0.4643 C.ar 1 UNL1111 0.0836 24 C -4.6123 2.0763 2.7020 C.3 1 UNL1111 -0.2722 25 C -4.2893 -1.2320 -1.8649 C.ar 1 UNL1111 -0.2376 26 C 0.3528 -2.4183 2.1483 C.ar 1 UNL1111 -0.3157 27 C 3.5275 -4.3319 -0.5868 C.3 1 UNL1111 -0.2751 28 C -1.4872 2.9104 0.1787 C.ar 1 UNL1111 -0.0191 29 C 4.3534 0.3920 -0.0036 C.ar 1 UNL1111 -0.0170 30 C -1.8671 -1.2166 -1.7073 C.ar 1 UNL1111 0.1308 31 C -0.4782 -1.4718 1.5656 C.ar 1 UNL1111 0.1884 32 C -3.0480 -1.6784 -2.3017 C.ar 1 UNL1111 0.0899 33 C -0.8685 3.4155 1.3261 C.ar 1 UNL1111 -0.1354 34 C -0.7309 2.6322 -0.9640 C.ar 1 UNL1111 -0.0935 35 C 3.4585 1.3661 0.4468 C.ar 1 UNL1111 -0.1743 36 C 5.1575 0.6454 -1.1163 C.ar 1 UNL1111 -0.1288 37 C 3.3846 2.5863 -0.2140 C.ar 1 UNL1111 0.1207 38 C 0.5064 3.6250 1.3508 C.ar 1 UNL1111 -0.2089 39 C 0.6466 2.8278 -0.9571 C.ar 1 UNL1111 -0.2158 40 C 1.2396 3.3160 0.2053 C.ar 1 UNL1111 0.2029 41 C 5.0883 1.8672 -1.7836 C.ar 1 UNL1111 -0.2727 42 C 4.1978 2.8399 -1.3312 C.ar 1 UNL1111 0.2044 43 C -2.3564 -1.9751 2.9230 C.3 1 UNL1111 -0.2128 44 C -3.4794 -3.7972 -3.1940 C.3 1 UNL1111 -0.1940 45 H -2.4281 1.0290 1.6026 H 1 UNL1111 0.1800 46 H 3.5295 -1.8200 -1.0539 H 1 UNL1111 0.1516 47 H -5.6071 2.2449 0.0321 H 1 UNL1111 0.1186 48 H -6.6063 1.3632 1.2176 H 1 UNL1111 0.1284 49 H -6.4165 0.2781 -1.1317 H 1 UNL1111 0.1442 50 H -6.1208 -0.7815 0.2636 H 1 UNL1111 0.1587 51 H 4.5457 -2.9829 2.3428 H 1 UNL1111 0.1432 52 H 4.3930 -4.6942 1.8916 H 1 UNL1111 0.1323 53 H -3.4944 3.4321 0.7417 H 1 UNL1111 0.1471 54 H -3.3790 2.6634 -0.8337 H 1 UNL1111 0.1569 55 H 2.4781 -3.6142 3.3493 H 1 UNL1111 0.1533 56 H 2.0054 -4.6676 2.0119 H 1 UNL1111 0.1528 57 H 5.4945 -1.2971 0.6910 H 1 UNL1111 0.1651 58 H 4.1996 -0.8032 1.7847 H 1 UNL1111 0.1561 59 H 1.5985 -0.2946 -0.8785 H 1 UNL1111 0.1835 60 H -3.7210 1.9516 3.3405 H 1 UNL1111 0.1498 61 H -5.4900 1.8005 3.3105 H 1 UNL1111 0.1409 62 H -4.6981 3.1393 2.4311 H 1 UNL1111 0.1188 63 H -5.1947 -1.6069 -2.3330 H 1 UNL1111 0.1638 64 H 0.0113 -3.0203 2.9821 H 1 UNL1111 0.1606 65 H 3.9803 -5.3117 -0.3707 H 1 UNL1111 0.1376 66 H 3.7913 -4.0699 -1.6250 H 1 UNL1111 0.1445 67 H 2.4326 -4.4286 -0.5196 H 1 UNL1111 0.1306 68 H -1.4625 3.6340 2.2101 H 1 UNL1111 0.1433 69 H -1.2167 2.2394 -1.8570 H 1 UNL1111 0.1580 70 H 2.8138 1.1780 1.3067 H 1 UNL1111 0.1807 71 H 5.8473 -0.1202 -1.4686 H 1 UNL1111 0.1542 72 H 1.0065 4.0132 2.2326 H 1 UNL1111 0.1642 73 H 1.2489 2.6041 -1.8333 H 1 UNL1111 0.1673 74 H -0.7204 -2.2946 -2.8292 H 1 UNL1111 0.3283 75 H 5.7182 2.0562 -2.6459 H 1 UNL1111 0.1536 76 H -1.8491 -1.8659 3.8849 H 1 UNL1111 0.1300 77 H -2.4009 -3.0192 2.6033 H 1 UNL1111 0.1311 78 H -3.3691 -1.5425 2.9657 H 1 UNL1111 0.1652 79 H -4.5662 -3.7132 -3.1041 H 1 UNL1111 0.1298 80 H -3.0533 -4.2975 -2.3192 H 1 UNL1111 0.1319 81 H -3.2107 -4.3234 -4.1179 H 1 UNL1111 0.1442 82 H 4.6951 4.1662 -2.6705 H 1 UNL1111 0.3156 @BOND 1 1 21 1 2 1 23 1 3 2 31 1 4 2 43 1 5 3 32 1 6 3 44 1 7 4 30 1 8 4 74 1 9 5 37 1 10 5 40 1 11 6 42 1 12 6 82 1 13 7 9 1 14 7 13 1 15 7 24 1 16 8 10 1 17 8 16 1 18 8 27 1 19 9 11 1 20 9 18 1 21 9 45 1 22 10 12 1 23 10 20 1 24 10 46 1 25 11 14 ar 26 11 21 ar 27 12 17 ar 28 12 22 ar 29 13 15 1 30 13 47 1 31 13 48 1 32 14 15 1 33 14 25 ar 34 15 49 1 35 15 50 1 36 16 19 1 37 16 51 1 38 16 52 1 39 17 19 1 40 17 26 ar 41 18 28 1 42 18 53 1 43 18 54 1 44 19 55 1 45 19 56 1 46 20 29 1 47 20 57 1 48 20 58 1 49 21 30 ar 50 22 23 ar 51 22 59 1 52 23 31 ar 53 24 60 1 54 24 61 1 55 24 62 1 56 25 32 ar 57 25 63 1 58 26 31 ar 59 26 64 1 60 27 65 1 61 27 66 1 62 27 67 1 63 28 33 ar 64 28 34 ar 65 29 35 ar 66 29 36 ar 67 30 32 ar 68 33 38 ar 69 33 68 1 70 34 39 ar 71 34 69 1 72 35 37 ar 73 35 70 1 74 36 41 ar 75 36 71 1 76 37 42 ar 77 38 40 ar 78 38 72 1 79 39 40 ar 80 39 73 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