@MOLECULE (1r,5r,6s,13s,21r)-13-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0~2,11~.0~3,8~.0~15,20~]henicosa-2,8,10,15,17,19-hexaene-6,9,17,19,21-pentol 65 71 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.8765 1.4419 0.7289 O.3 1 UNL11 -0.3535 2 O -2.0245 -0.8294 0.7218 O.3 1 UNL11 -0.3416 3 O 2.3841 1.3771 -1.4292 O.3 1 UNL11 -0.3116 4 O -2.2918 -0.6546 -2.2368 O.3 1 UNL11 -0.5187 5 O 5.3511 2.9819 -1.0592 O.3 1 UNL11 -0.5690 6 O 1.5203 4.4002 2.0862 O.3 1 UNL11 -0.4690 7 O 1.7836 -1.7163 -1.9527 O.3 1 UNL11 -0.4479 8 O 0.7451 -4.5156 1.6987 O.3 1 UNL11 -0.4825 9 O -6.7491 -1.7671 -0.5109 O.3 1 UNL11 -0.4236 10 O -7.9712 0.4932 0.0251 O.3 1 UNL11 -0.4233 11 O 4.2208 -3.8449 1.1458 O.3 1 UNL11 -0.4845 12 C -0.1994 0.1762 -1.2621 C.3 1 UNL11 -0.0709 13 C -1.7204 0.3539 -1.4582 C.3 1 UNL11 0.0725 14 C -2.3432 0.3374 -0.0360 C.3 1 UNL11 0.3821 15 C 0.2712 1.3014 -0.3935 C.ar 1 UNL11 -0.2872 16 C -0.0063 -1.1374 -0.5752 C.ar 1 UNL11 -0.3330 17 C -0.5893 1.8394 0.5717 C.ar 1 UNL11 0.3436 18 C 1.5551 1.8529 -0.4714 C.ar 1 UNL11 0.3222 19 C -0.8848 -1.5033 0.4527 C.ar 1 UNL11 0.3667 20 C 1.9699 2.9113 0.3482 C.ar 1 UNL11 -0.2697 21 C -3.8409 0.4156 0.0016 C.ar 1 UNL11 -0.0684 22 C 3.3024 3.5159 0.1055 C.3 1 UNL11 -0.2910 23 C 4.3374 2.4349 -0.2292 C.3 1 UNL11 0.1155 24 C 3.7718 1.2813 -1.0848 C.3 1 UNL11 0.0869 25 C -0.2156 2.8671 1.4424 C.ar 1 UNL11 -0.4415 26 C 1.0708 3.3888 1.3044 C.ar 1 UNL11 0.3647 27 C 1.0349 -2.0243 -0.8759 C.ar 1 UNL11 0.4061 28 C -0.6863 -2.6366 1.2496 C.ar 1 UNL11 -0.4674 29 C -4.5709 -0.7466 -0.2761 C.ar 1 UNL11 -0.1992 30 C -4.4837 1.6138 0.2885 C.ar 1 UNL11 -0.1064 31 C 3.9719 -0.0466 -0.4130 C.ar 1 UNL11 -0.1252 32 C 1.2614 -3.1883 -0.1349 C.ar 1 UNL11 -0.4802 33 C 0.4145 -3.4377 0.9463 C.ar 1 UNL11 0.4062 34 C -5.9572 -0.6922 -0.2609 C.ar 1 UNL11 0.1759 35 C -5.8798 1.6716 0.3048 C.ar 1 UNL11 -0.2706 36 C -6.6157 0.5242 0.0322 C.ar 1 UNL11 0.2148 37 C 4.7174 -1.0366 -1.0559 C.ar 1 UNL11 -0.0873 38 C 3.3733 -0.3067 0.8236 C.ar 1 UNL11 -0.0651 39 C 4.8156 -2.3098 -0.5060 C.ar 1 UNL11 -0.2770 40 C 3.4593 -1.5700 1.3948 C.ar 1 UNL11 -0.2884 41 C 4.1534 -2.5647 0.6993 C.ar 1 UNL11 0.3011 42 H 0.3290 0.1924 -2.2517 H 1 UNL11 0.1955 43 H -1.9883 1.2904 -1.9963 H 1 UNL11 0.1732 44 H 3.6378 4.1199 0.9736 H 1 UNL11 0.1631 45 H 3.2340 4.2315 -0.7477 H 1 UNL11 0.1724 46 H 4.8304 2.0486 0.6918 H 1 UNL11 0.1336 47 H 4.2253 1.3213 -2.1117 H 1 UNL11 0.1807 48 H -0.9122 3.2327 2.1855 H 1 UNL11 0.1850 49 H -1.8280 -1.5139 -2.1045 H 1 UNL11 0.3270 50 H -1.3648 -2.8592 2.0622 H 1 UNL11 0.1891 51 H -4.0509 -1.6750 -0.5082 H 1 UNL11 0.1764 52 H -3.9076 2.5149 0.5050 H 1 UNL11 0.1705 53 H 2.0610 -3.8780 -0.3795 H 1 UNL11 0.1944 54 H 5.7841 3.7422 -0.6286 H 1 UNL11 0.3207 55 H -6.3808 2.6084 0.5290 H 1 UNL11 0.1613 56 H 0.8414 4.6923 2.7438 H 1 UNL11 0.3329 57 H 2.6195 -2.2558 -1.9962 H 1 UNL11 0.3404 58 H 5.2202 -0.8157 -1.9983 H 1 UNL11 0.1562 59 H 2.8147 0.4797 1.3369 H 1 UNL11 0.1642 60 H 0.0792 -4.6981 2.4078 H 1 UNL11 0.3383 61 H 5.3880 -3.0980 -0.9867 H 1 UNL11 0.1757 62 H 2.9828 -1.7845 2.3463 H 1 UNL11 0.1685 63 H -6.2054 -2.5542 -0.7702 H 1 UNL11 0.3171 64 H -8.3531 1.3804 0.2448 H 1 UNL11 0.3161 65 H 3.4706 -4.0602 1.7582 H 1 UNL11 0.3433 @BOND 1 1 14 1 2 1 17 1 3 2 14 1 4 2 19 1 5 3 18 1 6 3 24 1 7 4 13 1 8 4 49 1 9 5 23 1 10 5 54 1 11 6 26 1 12 6 56 1 13 7 27 1 14 7 57 1 15 8 33 1 16 8 60 1 17 9 34 1 18 9 63 1 19 10 36 1 20 10 64 1 21 11 41 1 22 11 65 1 23 12 13 1 24 12 15 1 25 12 16 1 26 12 42 1 27 13 14 1 28 13 43 1 29 14 21 1 30 15 17 ar 31 15 18 ar 32 16 19 ar 33 16 27 ar 34 17 25 ar 35 18 20 ar 36 19 28 ar 37 20 22 1 38 20 26 ar 39 21 29 ar 40 21 30 ar 41 22 23 1 42 22 44 1 43 22 45 1 44 23 24 1 45 23 46 1 46 24 31 1 47 24 47 1 48 25 26 ar 49 25 48 1 50 27 32 ar 51 28 33 ar 52 28 50 1 53 29 34 ar 54 29 51 1 55 30 35 ar 56 30 52 1 57 31 37 ar 58 31 38 ar 59 32 33 ar 60 32 53 1 61 34 36 ar 62 35 36 ar 63 35 55 1 64 37 39 ar 65 37 58 1 66 38 40 ar 67 38 59 1 68 39 41 ar 69 39 61 1 70 40 41 ar 71 40 62 1