@MOLECULE (1s,15s)-21,22,26-trimethoxy-16,31-dimethyl-8,24-dioxa-16,31-diazaheptacyclo[23.6.2.1~3,7~.1~9,13~.1~15,19~.0~23,34~.0~28,32~]hexatriaconta-3(36),4,6,9(35),10,12,19(34),20,22,25,27,32-dodecaen-10-ol 85 91 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0829 -2.3219 0.2196 O.3 1 UNL1111111111 -0.3050 2 O 1.3337 -0.7715 2.2954 O.3 1 UNL1111111111 -0.3071 3 O 1.7564 -4.3551 -0.8241 O.3 1 UNL1111111111 -0.3088 4 O -0.4164 0.9575 3.8247 O.3 1 UNL1111111111 -0.3023 5 O -1.8358 3.2789 -0.4305 O.3 1 UNL1111111111 -0.3318 6 O -4.0502 3.8537 -1.9050 O.3 1 UNL1111111111 -0.4601 7 N -4.0430 -2.3059 -0.3810 N.3 1 UNL1111111111 -0.4288 8 N 5.0854 1.1186 -1.0910 N.3 1 UNL1111111111 -0.4261 9 C -2.5608 -2.1627 -0.3867 C.3 1 UNL1111111111 0.0928 10 C 3.6863 0.9595 -0.6004 C.3 1 UNL1111111111 0.0642 11 C -1.9759 -1.3785 0.7583 C.ar 1 UNL1111111111 -0.1818 12 C -4.7031 -1.8845 0.8748 C.3 1 UNL1111111111 -0.0942 13 C -2.7621 -0.5360 1.5531 C.ar 1 UNL1111111111 0.1059 14 C 3.1213 -0.4342 -0.7574 C.ar 1 UNL1111111111 -0.0745 15 C -4.2232 -0.4763 1.2611 C.3 1 UNL1111111111 -0.2971 16 C -2.1884 -1.4692 -1.7361 C.3 1 UNL1111111111 -0.2837 17 C 5.8897 -0.1192 -0.9800 C.3 1 UNL1111111111 -0.1022 18 C 3.8632 -1.4860 -1.2978 C.ar 1 UNL1111111111 0.0294 19 C 5.2269 -1.2103 -1.8369 C.3 1 UNL1111111111 -0.2872 20 C 2.8238 1.9743 -1.4056 C.3 1 UNL1111111111 -0.3109 21 C -0.6016 -1.4348 1.0136 C.ar 1 UNL1111111111 0.1935 22 C 1.8322 -0.6769 -0.2776 C.ar 1 UNL1111111111 -0.1725 23 C -4.4388 -3.6897 -0.7211 C.3 1 UNL1111111111 -0.2789 24 C -2.1968 0.2397 2.5579 C.ar 1 UNL1111111111 -0.3033 25 C 1.3290 -1.9706 -0.2541 C.ar 1 UNL1111111111 0.0988 26 C -2.6743 -0.0559 -1.7877 C.ar 1 UNL1111111111 0.0367 27 C 3.3424 -2.7776 -1.3251 C.ar 1 UNL1111111111 -0.2567 28 C -0.0182 -0.7171 2.0633 C.ar 1 UNL1111111111 -0.0493 29 C 5.7613 2.2198 -0.3668 C.3 1 UNL1111111111 -0.2834 30 C 1.7915 2.6358 -0.5501 C.ar 1 UNL1111111111 0.0841 31 C 2.0798 -3.0354 -0.7839 C.ar 1 UNL1111111111 0.1804 32 C -0.8205 0.1558 2.8114 C.ar 1 UNL1111111111 0.2465 33 C -1.9490 0.9327 -1.1183 C.ar 1 UNL1111111111 -0.2177 34 C -3.8455 0.2807 -2.4705 C.ar 1 UNL1111111111 -0.1464 35 C 0.4560 2.6239 -0.9566 C.ar 1 UNL1111111111 -0.2897 36 C 2.1466 3.2674 0.6458 C.ar 1 UNL1111111111 -0.2466 37 C -2.3978 2.2434 -1.1437 C.ar 1 UNL1111111111 0.0872 38 C -0.4991 3.1977 -0.1227 C.ar 1 UNL1111111111 0.2608 39 C -4.2959 1.5989 -2.5055 C.ar 1 UNL1111111111 -0.2084 40 C -3.5660 2.5850 -1.8445 C.ar 1 UNL1111111111 0.1951 41 C 1.1727 3.8521 1.4540 C.ar 1 UNL1111111111 -0.0819 42 C -0.1684 3.8122 1.0880 C.ar 1 UNL1111111111 -0.2435 43 C 1.7315 -1.9944 2.9151 C.3 1 UNL1111111111 -0.2046 44 C 0.4240 -4.7241 -0.4985 C.3 1 UNL1111111111 -0.1932 45 C 0.9737 1.2602 3.9033 C.3 1 UNL1111111111 -0.1902 46 H -2.0765 -3.1808 -0.3871 H 1 UNL1111111111 0.1256 47 H 3.6295 1.2005 0.4997 H 1 UNL1111111111 0.1343 48 H -4.5250 -2.5888 1.7156 H 1 UNL1111111111 0.1165 49 H -5.7986 -1.8693 0.6811 H 1 UNL1111111111 0.1357 50 H -4.8109 -0.0850 2.1104 H 1 UNL1111111111 0.1522 51 H -4.3999 0.2266 0.4106 H 1 UNL1111111111 0.1881 52 H -2.6123 -2.0619 -2.5685 H 1 UNL1111111111 0.1480 53 H -1.0850 -1.5072 -1.8592 H 1 UNL1111111111 0.1596 54 H 6.0031 -0.4729 0.0670 H 1 UNL1111111111 0.1184 55 H 6.9088 0.0980 -1.3670 H 1 UNL1111111111 0.1343 56 H 5.8602 -2.1159 -1.8602 H 1 UNL1111111111 0.1466 57 H 5.1457 -0.8611 -2.8910 H 1 UNL1111111111 0.1719 58 H 2.3720 1.4530 -2.2746 H 1 UNL1111111111 0.1693 59 H 3.4797 2.7431 -1.8691 H 1 UNL1111111111 0.1744 60 H 1.2347 0.1567 0.1015 H 1 UNL1111111111 0.1873 61 H -4.0112 -3.9566 -1.7016 H 1 UNL1111111111 0.1439 62 H -5.5354 -3.7326 -0.8285 H 1 UNL1111111111 0.1427 63 H -4.1324 -4.4467 0.0161 H 1 UNL1111111111 0.1183 64 H -2.8037 0.9230 3.1481 H 1 UNL1111111111 0.1835 65 H 3.9130 -3.6012 -1.7496 H 1 UNL1111111111 0.1735 66 H 5.9351 2.0221 0.7010 H 1 UNL1111111111 0.1187 67 H 5.1646 3.1426 -0.4593 H 1 UNL1111111111 0.1481 68 H 6.7325 2.4168 -0.8499 H 1 UNL1111111111 0.1450 69 H -1.0539 0.6632 -0.5569 H 1 UNL1111111111 0.1817 70 H -4.4237 -0.4996 -2.9629 H 1 UNL1111111111 0.1597 71 H 0.1702 2.1806 -1.9089 H 1 UNL1111111111 0.1821 72 H 3.1894 3.3079 0.9493 H 1 UNL1111111111 0.1512 73 H -5.2059 1.8698 -3.0360 H 1 UNL1111111111 0.1704 74 H 1.4618 4.3393 2.3839 H 1 UNL1111111111 0.1440 75 H -0.9448 4.2352 1.7182 H 1 UNL1111111111 0.1709 76 H 1.2391 -2.1146 3.8831 H 1 UNL1111111111 0.1278 77 H 2.8128 -1.8605 3.0332 H 1 UNL1111111111 0.1432 78 H 1.5213 -2.8479 2.2622 H 1 UNL1111111111 0.1402 79 H -0.2972 -4.1961 -1.1312 H 1 UNL1111111111 0.1388 80 H 0.2259 -4.5551 0.5656 H 1 UNL1111111111 0.1415 81 H 0.4204 -5.7984 -0.7239 H 1 UNL1111111111 0.1428 82 H 1.5235 0.4054 4.3074 H 1 UNL1111111111 0.1388 83 H 0.9858 2.1025 4.6053 H 1 UNL1111111111 0.1374 84 H 1.3749 1.5596 2.9275 H 1 UNL1111111111 0.1503 85 H -3.4494 4.4817 -1.4273 H 1 UNL1111111111 0.3359 @BOND 1 1 21 1 2 1 25 1 3 2 28 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 38 1 11 6 40 1 12 6 85 1 13 7 9 1 14 7 12 1 15 7 23 1 16 8 10 1 17 8 17 1 18 8 29 1 19 9 11 1 20 9 16 1 21 9 46 1 22 10 14 1 23 10 20 1 24 10 47 1 25 11 13 ar 26 11 21 ar 27 12 15 1 28 12 48 1 29 12 49 1 30 13 15 1 31 13 24 ar 32 14 18 ar 33 14 22 ar 34 15 50 1 35 15 51 1 36 16 26 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 27 ar 44 19 56 1 45 19 57 1 46 20 30 1 47 20 58 1 48 20 59 1 49 21 28 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 33 ar 59 26 34 ar 60 27 31 ar 61 27 65 1 62 28 32 ar 63 29 66 1 64 29 67 1 65 29 68 1 66 30 35 ar 67 30 36 ar 68 33 37 ar 69 33 69 1 70 34 39 ar 71 34 70 1 72 35 38 ar 73 35 71 1 74 36 41 ar 75 36 72 1 76 37 40 ar 77 38 42 ar 78 39 40 ar 79 39 73 1 80 41 42 ar 81 41 74 1 82 42 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