@MOLECULE (3s,3ar,4s,6s,6ar,7s,8s,9as,9bs)-6-acetoxy-3,3a-dihydroxy-4-[(4-{4-hydroxy-3-[6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)hexyl]phenyl}butanoyl)oxy]-3,6,9-trimethyl-8-{[(2z)-2-methyl-2-butenoyl]oxy}-2-oxododecahydroazuleno[4,5-b]furan-7-yl octanoate 144 147 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.8592 0.9648 -0.3158 C.3 1 UNL111111111 -0.1986 2 O -7.1686 0.4709 0.0250 O.3 1 UNL111111111 -0.4371 3 C -6.0203 0.9784 0.6978 C.3 1 UNL111111111 0.0915 4 O -7.6423 -0.9153 1.7376 O.2 1 UNL111111111 -0.5424 5 C -6.3113 2.4782 0.9828 C.3 1 UNL111111111 0.0638 6 O -6.0533 2.6721 2.3701 O.3 1 UNL111111111 -0.4476 7 C -5.2323 3.3036 0.2349 C.3 1 UNL111111111 -0.0878 8 O -8.2546 2.7107 2.8351 O.2 1 UNL111111111 -0.4978 9 C -4.1018 2.2610 0.0431 C.3 1 UNL111111111 -0.1414 10 O -2.9335 4.0058 -1.1604 O.3 1 UNL111111111 -0.3813 11 C -2.9555 2.5934 -0.8949 C.3 1 UNL111111111 0.0908 12 O -4.2031 1.8889 -2.8202 O.3 1 UNL111111111 -0.5215 13 C -2.9096 1.8954 -2.2774 C.3 1 UNL111111111 0.1430 14 O -1.2735 0.4761 -1.2820 O.3 1 UNL111111111 -0.4362 15 C -2.3572 0.4591 -2.2069 C.3 1 UNL111111111 0.0930 16 O 0.2461 0.1955 -2.9190 O.2 1 UNL111111111 -0.5465 17 C -3.3440 -0.5796 -1.6718 C.3 1 UNL111111111 -0.3734 18 O -4.9991 -1.3152 -0.0963 O.3 1 UNL111111111 -0.4779 19 C -3.9859 -0.3060 -0.2952 C.3 1 UNL111111111 0.3405 20 O -3.5866 -3.0751 -0.1336 O.2 1 UNL111111111 -0.5403 21 C -2.0554 2.9178 -3.1050 C.3 1 UNL111111111 0.1647 22 O -0.6989 2.7015 -2.8369 O.3 1 UNL111111111 -0.5545 23 C -2.3801 4.2507 -2.3886 C.2 1 UNL111111111 0.5632 24 O -2.2403 5.3695 -2.7795 O.2 1 UNL111111111 -0.4198 25 C -7.9165 -0.4671 0.6530 C.2 1 UNL111111111 0.6382 26 C -9.0899 -0.8157 -0.2127 C.3 1 UNL111111111 -0.3473 27 C -9.7084 -2.1340 0.2588 C.3 1 UNL111111111 -0.2514 28 C -10.9069 -2.5155 -0.6157 C.3 1 UNL111111111 -0.2736 29 C -11.4938 -3.8582 -0.1608 C.3 1 UNL111111111 -0.2736 30 C -12.6893 -4.2526 -1.0364 C.3 1 UNL111111111 -0.2759 31 C -13.2663 -5.6046 -0.5958 C.3 1 UNL111111111 -0.2515 32 C -14.4212 -6.0255 -1.5046 C.3 1 UNL111111111 -0.4396 33 C -7.1160 2.6884 3.2210 C.2 1 UNL111111111 0.6184 34 C -6.6190 2.6954 4.6143 C.2 1 UNL111111111 -0.1140 35 C -6.6209 4.0434 5.2404 C.3 1 UNL111111111 -0.4306 36 C -6.2298 1.5701 5.2250 C.2 1 UNL111111111 -0.0754 37 C -6.2165 0.2320 4.5815 C.3 1 UNL111111111 -0.4644 38 C -5.8099 3.8623 -1.0585 C.3 1 UNL111111111 -0.4492 39 C -0.0037 0.3683 -1.7520 C.2 1 UNL111111111 0.6493 40 C 0.9447 0.4822 -0.6003 C.3 1 UNL111111111 -0.3452 41 C 2.0123 -0.6101 -0.6993 C.3 1 UNL111111111 -0.2465 42 C 2.9759 -0.5166 0.4926 C.3 1 UNL111111111 -0.2734 43 C -2.9992 -0.3757 0.8604 C.3 1 UNL111111111 -0.5042 44 C -4.6922 -2.6246 0.0288 C.2 1 UNL111111111 0.6566 45 C -5.9279 -3.3858 0.3711 C.3 1 UNL111111111 -0.5234 46 C -2.3607 2.9759 -4.5818 C.3 1 UNL111111111 -0.4999 47 C 17.6397 -1.4259 -0.1931 C.3 1 UNL111111111 -0.5105 48 C 17.7396 0.0271 0.2558 C.3 1 UNL111111111 0.3859 49 C 18.2210 0.1701 1.6945 C.3 1 UNL111111111 -0.5118 50 C 18.5796 0.8683 -0.7132 C.3 1 UNL111111111 -0.4833 51 O 16.4478 0.6618 0.1126 O.3 1 UNL111111111 -0.4921 52 C 15.4049 0.2256 0.8664 C.2 1 UNL111111111 0.7408 53 O 15.4085 -0.7348 1.6054 O.2 1 UNL111111111 -0.5711 54 N 14.3409 1.0862 0.6771 N.am 1 UNL111111111 -0.5974 55 C 13.0207 0.6978 1.1829 C.3 1 UNL111111111 -0.0551 56 C 12.1590 0.0547 0.0800 C.3 1 UNL111111111 -0.3114 57 C 10.8067 -0.3698 0.6595 C.3 1 UNL111111111 -0.2658 58 C 9.8996 -0.9439 -0.4363 C.3 1 UNL111111111 -0.2688 59 C 8.5512 -1.3622 0.1587 C.3 1 UNL111111111 -0.2684 60 C 7.5895 -1.8496 -0.9368 C.3 1 UNL111111111 -0.2746 61 C 6.2725 -2.2053 -0.3269 C.ar 1 UNL111111111 -0.1333 62 C 5.2632 -1.2489 -0.2182 C.ar 1 UNL111111111 -0.1333 63 C 4.0402 -1.5637 0.3735 C.ar 1 UNL111111111 -0.0510 64 C 3.8069 -2.8567 0.8528 C.ar 1 UNL111111111 -0.1219 65 C 4.7938 -3.8283 0.7585 C.ar 1 UNL111111111 -0.2268 66 C 6.0190 -3.4865 0.1768 C.ar 1 UNL111111111 0.2544 67 O 6.9317 -4.4931 0.1459 O.3 1 UNL111111111 -0.4729 68 H -5.3245 1.0512 -1.3350 H 1 UNL111111111 0.1996 69 H -5.8032 0.4032 1.6210 H 1 UNL111111111 0.1667 70 H -7.3489 2.7668 0.7217 H 1 UNL111111111 0.1686 71 H -1.9760 2.4015 -0.3766 H 1 UNL111111111 0.1596 72 H -4.2225 1.4255 -3.6857 H 1 UNL111111111 0.3158 73 H -1.9942 0.1390 -3.2155 H 1 UNL111111111 0.1521 74 H -4.1558 -0.7304 -2.4125 H 1 UNL111111111 0.1633 75 H -2.8077 -1.5582 -1.6137 H 1 UNL111111111 0.1945 76 H -0.2766 2.1367 -3.5307 H 1 UNL111111111 0.3540 77 H -9.8346 0.0096 -0.1642 H 1 UNL111111111 0.1826 78 H -8.7851 -0.8735 -1.2786 H 1 UNL111111111 0.1759 79 H -8.9495 -2.9399 0.2424 H 1 UNL111111111 0.1415 80 H -10.0185 -2.0461 1.3210 H 1 UNL111111111 0.1587 81 H -11.6828 -1.7282 -0.5670 H 1 UNL111111111 0.1406 82 H -10.6035 -2.5775 -1.6774 H 1 UNL111111111 0.1356 83 H -10.7183 -4.6456 -0.2036 H 1 UNL111111111 0.1358 84 H -11.8054 -3.7972 0.8991 H 1 UNL111111111 0.1400 85 H -13.4730 -3.4740 -0.9840 H 1 UNL111111111 0.1377 86 H -12.3833 -4.3020 -2.0978 H 1 UNL111111111 0.1356 87 H -12.4747 -6.3774 -0.6090 H 1 UNL111111111 0.1333 88 H -13.6134 -5.5445 0.4531 H 1 UNL111111111 0.1351 89 H -14.8520 -6.9804 -1.1838 H 1 UNL111111111 0.1415 90 H -15.2269 -5.2828 -1.4983 H 1 UNL111111111 0.1433 91 H -14.0912 -6.1457 -2.5423 H 1 UNL111111111 0.1420 92 H -7.6278 4.4923 5.2227 H 1 UNL111111111 0.1670 93 H -6.2975 4.0222 6.2896 H 1 UNL111111111 0.1542 94 H -5.9472 4.7332 4.7071 H 1 UNL111111111 0.1641 95 H -5.8871 1.5877 6.2616 H 1 UNL111111111 0.1485 96 H -6.9696 0.1232 3.7804 H 1 UNL111111111 0.1849 97 H -5.2381 0.0250 4.1203 H 1 UNL111111111 0.1644 98 H -6.4151 -0.5762 5.2986 H 1 UNL111111111 0.1578 99 H -6.7208 4.4432 -0.8764 H 1 UNL111111111 0.1439 100 H -5.0951 4.5322 -1.5559 H 1 UNL111111111 0.1661 101 H -6.0515 3.0691 -1.7776 H 1 UNL111111111 0.1581 102 H 1.4109 1.4935 -0.6231 H 1 UNL111111111 0.1845 103 H 0.4079 0.4207 0.3711 H 1 UNL111111111 0.1786 104 H 1.5426 -1.6135 -0.7293 H 1 UNL111111111 0.1545 105 H 2.5716 -0.5188 -1.6533 H 1 UNL111111111 0.1609 106 H 3.4253 0.4959 0.5421 H 1 UNL111111111 0.1462 107 H 2.4199 -0.6348 1.4452 H 1 UNL111111111 0.1482 108 H -3.5091 -0.2946 1.8273 H 1 UNL111111111 0.1572 109 H -2.4472 -1.3282 0.8593 H 1 UNL111111111 0.1809 110 H -2.2434 0.4165 0.8024 H 1 UNL111111111 0.1678 111 H -6.4822 -2.9061 1.2007 H 1 UNL111111111 0.2077 112 H -6.6149 -3.4376 -0.4859 H 1 UNL111111111 0.1808 113 H -5.6826 -4.4139 0.6759 H 1 UNL111111111 0.1831 114 H -3.4034 3.2695 -4.7769 H 1 UNL111111111 0.1783 115 H -1.7348 3.7416 -5.0735 H 1 UNL111111111 0.1852 116 H -2.1700 2.0228 -5.0882 H 1 UNL111111111 0.1578 117 H 17.0261 -2.0181 0.5038 H 1 UNL111111111 0.1828 118 H 17.1722 -1.5082 -1.1807 H 1 UNL111111111 0.1576 119 H 18.6264 -1.8967 -0.2437 H 1 UNL111111111 0.1557 120 H 19.2613 -0.1517 1.8019 H 1 UNL111111111 0.1559 121 H 18.1487 1.2084 2.0385 H 1 UNL111111111 0.1593 122 H 17.6144 -0.4394 2.3824 H 1 UNL111111111 0.1822 123 H 18.1793 0.8167 -1.7328 H 1 UNL111111111 0.1595 124 H 18.5795 1.9253 -0.4206 H 1 UNL111111111 0.1602 125 H 19.6163 0.5198 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2.1282 1.0669 H 1 UNL111111111 0.1580 @BOND 1 1 3 1 2 1 9 1 3 1 19 1 4 1 68 1 5 2 3 1 6 2 25 1 7 3 5 1 8 3 69 1 9 4 25 2 10 5 6 1 11 5 7 1 12 5 70 1 13 6 33 1 14 7 9 1 15 7 38 1 16 7 143 1 17 8 33 2 18 9 11 1 19 9 144 1 20 10 11 1 21 10 23 1 22 11 13 1 23 11 71 1 24 12 13 1 25 12 72 1 26 13 15 1 27 13 21 1 28 14 15 1 29 14 39 1 30 15 17 1 31 15 73 1 32 16 39 2 33 17 19 1 34 17 74 1 35 17 75 1 36 18 19 1 37 18 44 1 38 19 43 1 39 20 44 2 40 21 22 1 41 21 23 1 42 21 46 1 43 22 76 1 44 23 24 2 45 25 26 1 46 26 27 1 47 26 77 1 48 26 78 1 49 27 28 1 50 27 79 1 51 27 80 1 52 28 29 1 53 28 81 1 54 28 82 1 55 29 30 1 56 29 83 1 57 29 84 1 58 30 31 1 59 30 85 1 60 30 86 1 61 31 32 1 62 31 87 1 63 31 88 1 64 32 89 1 65 32 90 1 66 32 91 1 67 33 34 1 68 34 35 1 69 34 36 2 70 35 92 1 71 35 93 1 72 35 94 1 73 36 37 1 74 36 95 1 75 37 96 1 76 37 97 1 77 37 98 1 78 38 99 1 79 38 100 1 80 38 101 1 81 39 40 1 82 40 41 1 83 40 102 1 84 40 103 1 85 41 42 1 86 41 104 1 87 41 105 1 88 42 63 1 89 42 106 1 90 42 107 1 91 43 108 1 92 43 109 1 93 43 110 1 94 44 45 1 95 45 111 1 96 45 112 1 97 45 113 1 98 46 114 1 99 46 115 1 100 46 116 1 101 47 48 1 102 47 117 1 103 47 118 1 104 47 119 1 105 48 49 1 106 48 50 1 107 48 51 1 108 49 120 1 109 49 121 1 110 49 122 1 111 50 123 1 112 50 124 1 113 50 125 1 114 51 52 1 115 52 53 2 116 52 54 am 117 54 55 1 118 54 126 1 119 55 56 1 120 55 127 1 121 55 128 1 122 56 57 1 123 56 129 1 124 56 130 1 125 57 58 1 126 57 131 1 127 57 132 1 128 58 59 1 129 58 133 1 130 58 134 1 131 59 60 1 132 59 135 1 133 59 136 1 134 60 61 1 135 60 137 1 136 60 138 1 137 61 62 ar 138 61 66 ar 139 62 63 ar 140 62 139 1 141 63 64 ar 142 64 65 ar 143 64 140 1 144 65 66 ar 145 65 141 1 146 66 67 1 147 67 142 1