@MOLECULE n-{(1e,4r,5r,9s,10s,11s)-11-[(3r,5e,7z,11s,12s,13e,15r,17s,18s,19e,21s,23s,24r,25s,29s)-17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxo-1-dodecen-1-yl}-n-methylformamide 153 154 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.7759 -1.7671 4.9768 O.2 1 UNL1111111111 -0.4756 2 C 3.5477 -1.9512 3.8068 C.2 1 UNL1111111111 0.6099 3 C 2.4146 -2.7037 3.2593 C.2 1 UNL1111111111 -0.3804 4 C 2.3695 -3.0857 1.9723 C.2 1 UNL1111111111 0.1001 5 C 3.4947 -2.6535 1.0505 C.3 1 UNL1111111111 0.0652 6 O 4.4360 -3.6999 1.0330 O.3 1 UNL1111111111 -0.5335 7 C 1.2972 -3.9937 1.4904 C.3 1 UNL1111111111 -0.3578 8 C 1.0600 -4.0438 -0.0314 C.3 1 UNL1111111111 0.1437 9 O -0.1825 -4.7075 -0.2294 O.3 1 UNL1111111111 -0.4132 10 C -1.2977 -3.8423 -0.3112 C.3 1 UNL1111111111 -0.2041 11 C 2.0700 -4.9566 -0.7561 C.3 1 UNL1111111111 -0.3476 12 C 2.2736 -4.4557 -2.1527 C.2 1 UNL1111111111 0.1009 13 C 1.2266 -4.8555 -3.1335 C.3 1 UNL1111111111 -0.4709 14 C 3.3117 -3.6623 -2.4506 C.2 1 UNL1111111111 -0.2983 15 C 3.5130 -3.0361 -3.7502 C.2 1 UNL1111111111 0.0125 16 C 3.3829 -1.7161 -3.9420 C.2 1 UNL1111111111 -0.3303 17 C 3.0273 -0.8199 -2.8343 C.2 1 UNL1111111111 0.6556 18 O 3.4291 -0.8447 -1.6950 O.2 1 UNL1111111111 -0.5494 19 O 2.1374 0.1081 -3.2613 O.3 1 UNL1111111111 -0.4589 20 O 4.4860 -1.4774 2.9309 O.3 1 UNL1111111111 -0.4295 21 C 4.0754 -1.3252 1.5685 C.3 1 UNL1111111111 0.0549 22 C 5.3252 -0.8218 0.8341 C.3 1 UNL1111111111 -0.1311 23 C 6.5315 -1.7389 1.0307 C.3 1 UNL1111111111 -0.4465 24 C 5.6573 0.5962 1.3646 C.3 1 UNL1111111111 0.1050 25 O 6.8545 0.9529 0.6770 O.3 1 UNL1111111111 -0.4006 26 C 7.6843 1.8358 1.4031 C.3 1 UNL1111111111 -0.1968 27 C 4.5929 1.6467 1.0000 C.3 1 UNL1111111111 -0.3599 28 C 3.9650 2.2852 2.2498 C.3 1 UNL1111111111 0.1189 29 O 2.9472 1.3696 2.6397 O.3 1 UNL1111111111 -0.4097 30 C 2.7720 1.2585 4.0390 C.3 1 UNL1111111111 -0.2010 31 C 3.3463 3.6113 1.9093 C.2 1 UNL1111111111 -0.2470 32 C 2.0413 3.8517 2.0429 C.2 1 UNL1111111111 -0.1272 33 C 1.3983 5.1338 1.6052 C.3 1 UNL1111111111 -0.1650 34 C 0.5610 5.7291 2.7368 C.3 1 UNL1111111111 -0.4434 35 C 0.5455 4.7831 0.3601 C.3 1 UNL1111111111 0.1548 36 O -0.6951 4.2230 0.7208 O.3 1 UNL1111111111 -0.5708 37 C 0.3324 5.9790 -0.5696 C.3 1 UNL1111111111 -0.3661 38 C -0.3650 5.5069 -1.8613 C.3 1 UNL1111111111 0.1182 39 O -0.5117 6.7127 -2.6056 O.3 1 UNL1111111111 -0.4005 40 C -1.3654 6.5804 -3.7250 C.3 1 UNL1111111111 -0.1956 41 C 0.5028 4.5379 -2.6121 C.2 1 UNL1111111111 -0.2229 42 C 0.3315 3.2170 -2.5185 C.2 1 UNL1111111111 -0.1625 43 C 1.2020 2.2329 -3.2309 C.3 1 UNL1111111111 -0.1316 44 C 0.4834 1.7699 -4.5052 C.3 1 UNL1111111111 -0.4355 45 C 1.6575 1.0732 -2.3053 C.3 1 UNL1111111111 0.1295 46 C 0.6979 0.3687 -1.3192 C.3 1 UNL1111111111 -0.1711 47 C 0.7322 1.1032 0.0193 C.3 1 UNL1111111111 -0.4595 48 C -0.7169 0.0749 -1.8679 C.3 1 UNL1111111111 0.0906 49 O -0.6528 -1.2922 -2.2824 O.3 1 UNL1111111111 -0.4287 50 C -0.5994 -1.4991 -3.6765 C.3 1 UNL1111111111 -0.1988 51 C -1.8660 0.1111 -0.8232 C.3 1 UNL1111111111 -0.1077 52 C -2.3952 1.5387 -0.6601 C.3 1 UNL1111111111 -0.4641 53 C -3.0180 -0.8130 -1.2610 C.3 1 UNL1111111111 -0.2679 54 C -4.0543 -0.9757 -0.1446 C.3 1 UNL1111111111 -0.3833 55 C -4.6996 -2.3334 -0.1518 C.2 1 UNL1111111111 0.4982 56 O -4.3863 -3.2137 -0.9143 O.2 1 UNL1111111111 -0.4882 57 C -5.8006 -2.5459 0.8792 C.3 1 UNL1111111111 -0.2504 58 C -5.5925 -3.8820 1.5834 C.3 1 UNL1111111111 -0.4339 59 C -7.1463 -2.5175 0.1223 C.3 1 UNL1111111111 0.1311 60 O -7.0922 -1.3761 -0.7290 O.3 1 UNL1111111111 -0.4322 61 C -7.1612 -1.6700 -2.1107 C.3 1 UNL1111111111 -0.1924 62 C -8.3558 -2.2938 1.0521 C.3 1 UNL1111111111 -0.2985 63 C -8.1781 -1.1244 1.9627 C.2 1 UNL1111111111 -0.2571 64 C -8.0082 0.1166 1.4737 C.2 1 UNL1111111111 0.0387 65 N -7.8106 1.2608 2.2637 N.am 1 UNL1111111111 -0.4492 66 C -7.8850 1.1583 3.7225 C.3 1 UNL1111111111 -0.2368 67 C -7.5208 2.4902 1.6776 C.2 1 UNL1111111111 0.4648 68 O -7.3322 3.4695 2.3663 O.2 1 UNL1111111111 -0.5104 69 H 1.6528 -2.9693 3.9896 H 1 UNL1111111111 0.1831 70 H 3.1877 -2.5494 -0.0204 H 1 UNL1111111111 0.1886 71 H 4.9862 -3.6693 1.8510 H 1 UNL1111111111 0.3308 72 H 0.3268 -3.7435 1.9786 H 1 UNL1111111111 0.1737 73 H 1.5159 -5.0282 1.8486 H 1 UNL1111111111 0.1794 74 H 1.0352 -3.0225 -0.4716 H 1 UNL1111111111 0.1388 75 H -1.4101 -3.2440 0.5958 H 1 UNL1111111111 0.1156 76 H -1.2172 -3.1965 -1.1956 H 1 UNL1111111111 0.1463 77 H -2.1473 -4.5278 -0.4280 H 1 UNL1111111111 0.1530 78 H 3.0276 -5.0072 -0.1954 H 1 UNL1111111111 0.1846 79 H 1.6831 -5.9980 -0.7583 H 1 UNL1111111111 0.1691 80 H 1.2511 -4.2711 -4.0598 H 1 UNL1111111111 0.1469 81 H 1.3299 -5.9157 -3.4067 H 1 UNL1111111111 0.1593 82 H 0.2169 -4.7425 -2.6972 H 1 UNL1111111111 0.1825 83 H 4.0697 -3.3988 -1.7009 H 1 UNL1111111111 0.1980 84 H 3.7768 -3.7095 -4.5715 H 1 UNL1111111111 0.1488 85 H 3.5146 -1.2385 -4.9095 H 1 UNL1111111111 0.1744 86 H 3.2716 -0.5423 1.5506 H 1 UNL1111111111 0.1710 87 H 5.0985 -0.7554 -0.2622 H 1 UNL1111111111 0.1851 88 H 6.7005 -1.9705 2.0878 H 1 UNL1111111111 0.1482 89 H 6.4137 -2.6786 0.4770 H 1 UNL1111111111 0.1550 90 H 7.4476 -1.2635 0.6520 H 1 UNL1111111111 0.1600 91 H 5.8383 0.5493 2.4605 H 1 UNL1111111111 0.1354 92 H 7.1665 2.7719 1.6302 H 1 UNL1111111111 0.1158 93 H 8.0493 1.3597 2.3193 H 1 UNL1111111111 0.1233 94 H 8.5173 2.0193 0.7138 H 1 UNL1111111111 0.1398 95 H 3.7971 1.2023 0.3676 H 1 UNL1111111111 0.1734 96 H 5.0550 2.4224 0.3584 H 1 UNL1111111111 0.1651 97 H 4.7158 2.4057 3.0640 H 1 UNL1111111111 0.1254 98 H 3.6460 0.7758 4.4956 H 1 UNL1111111111 0.1437 99 H 2.5747 2.2303 4.4978 H 1 UNL1111111111 0.1192 100 H 1.8942 0.6070 4.1306 H 1 UNL1111111111 0.1429 101 H 4.0459 4.3511 1.5311 H 1 UNL1111111111 0.1446 102 H 1.3468 3.1010 2.4287 H 1 UNL1111111111 0.1705 103 H 2.1745 5.8805 1.3050 H 1 UNL1111111111 0.1465 104 H -0.1851 5.0157 3.1098 H 1 UNL1111111111 0.1525 105 H 1.1961 5.9970 3.5907 H 1 UNL1111111111 0.1500 106 H 0.0400 6.6385 2.4192 H 1 UNL1111111111 0.1432 107 H 1.0230 3.9321 -0.1942 H 1 UNL1111111111 0.1596 108 H -1.2520 4.8587 1.2095 H 1 UNL1111111111 0.3206 109 H 1.2937 6.4640 -0.8220 H 1 UNL1111111111 0.1637 110 H -0.2774 6.7634 -0.0863 H 1 UNL1111111111 0.1575 111 H -1.3717 5.0887 -1.6321 H 1 UNL1111111111 0.1329 112 H -1.3397 7.5796 -4.1772 H 1 UNL1111111111 0.1424 113 H -0.9796 5.8346 -4.4276 H 1 UNL1111111111 0.1240 114 H -2.3834 6.3300 -3.4110 H 1 UNL1111111111 0.1203 115 H 1.2839 5.0008 -3.2099 H 1 UNL1111111111 0.1592 116 H -0.4769 2.7847 -1.9264 H 1 UNL1111111111 0.1647 117 H 2.1506 2.7395 -3.5642 H 1 UNL1111111111 0.1500 118 H -0.4743 1.2833 -4.2908 H 1 UNL1111111111 0.1456 119 H 0.2781 2.6212 -5.1643 H 1 UNL1111111111 0.1430 120 H 1.0959 1.0553 -5.0698 H 1 UNL1111111111 0.1574 121 H 2.5465 1.4307 -1.7226 H 1 UNL1111111111 0.1417 122 H 1.1486 -0.6532 -1.1267 H 1 UNL1111111111 0.1816 123 H 0.2702 2.0961 -0.0268 H 1 UNL1111111111 0.1582 124 H 0.2123 0.5433 0.8064 H 1 UNL1111111111 0.1541 125 H 1.7607 1.2436 0.3856 H 1 UNL1111111111 0.1650 126 H -0.9742 0.7328 -2.7206 H 1 UNL1111111111 0.1240 127 H 0.3123 -1.0615 -4.1000 H 1 UNL1111111111 0.1386 128 H -0.5704 -2.5931 -3.7632 H 1 UNL1111111111 0.1415 129 H -1.4934 -1.1038 -4.1666 H 1 UNL1111111111 0.1164 130 H -1.4718 -0.2612 0.1521 H 1 UNL1111111111 0.1454 131 H -3.2300 1.5749 0.0489 H 1 UNL1111111111 0.1482 132 H -1.6302 2.2228 -0.2644 H 1 UNL1111111111 0.1675 133 H -2.7553 1.9507 -1.6071 H 1 UNL1111111111 0.1358 134 H -3.4939 -0.4299 -2.1795 H 1 UNL1111111111 0.1348 135 H -2.6180 -1.8119 -1.5469 H 1 UNL1111111111 0.1792 136 H -3.5913 -0.7991 0.8485 H 1 UNL1111111111 0.1681 137 H -4.8484 -0.2033 -0.2425 H 1 UNL1111111111 0.1746 138 H -5.7886 -1.7196 1.6301 H 1 UNL1111111111 0.1672 139 H -5.5329 -4.7109 0.8631 H 1 UNL1111111111 0.1640 140 H -4.6571 -3.8890 2.1567 H 1 UNL1111111111 0.1519 141 H -6.4065 -4.1008 2.2832 H 1 UNL1111111111 0.1457 142 H -7.2775 -3.4523 -0.4651 H 1 UNL1111111111 0.1307 143 H -7.0654 -0.6833 -2.5806 H 1 UNL1111111111 0.1432 144 H -6.3304 -2.3185 -2.4154 H 1 UNL1111111111 0.1396 145 H -8.1248 -2.1218 -2.3629 H 1 UNL1111111111 0.1209 146 H -9.2618 -2.1498 0.4235 H 1 UNL1111111111 0.1585 147 H -8.5408 -3.2184 1.6340 H 1 UNL1111111111 0.1488 148 H -8.1936 -1.3480 3.0224 H 1 UNL1111111111 0.1535 149 H -8.0018 0.3089 0.3898 H 1 UNL1111111111 0.1751 150 H -7.7497 2.1552 4.1894 H 1 UNL1111111111 0.1786 151 H -8.8694 0.7707 4.0371 H 1 UNL1111111111 0.1446 152 H -7.0944 0.4938 4.1113 H 1 UNL1111111111 0.1438 153 H -7.4745 2.5088 0.5803 H 1 UNL1111111111 0.1354 @BOND 1 1 2 2 2 2 3 1 3 2 20 1 4 3 4 2 5 3 69 1 6 4 5 1 7 4 7 1 8 5 6 1 9 5 21 1 10 5 70 1 11 6 71 1 12 7 8 1 13 7 72 1 14 7 73 1 15 8 9 1 16 8 11 1 17 8 74 1 18 9 10 1 19 10 75 1 20 10 76 1 21 10 77 1 22 11 12 1 23 11 78 1 24 11 79 1 25 12 13 1 26 12 14 2 27 13 80 1 28 13 81 1 29 13 82 1 30 14 15 1 31 14 83 1 32 15 16 2 33 15 84 1 34 16 17 1 35 16 85 1 36 17 18 2 37 17 19 1 38 19 45 1 39 20 21 1 40 21 22 1 41 21 86 1 42 22 23 1 43 22 24 1 44 22 87 1 45 23 88 1 46 23 89 1 47 23 90 1 48 24 25 1 49 24 27 1 50 24 91 1 51 25 26 1 52 26 92 1 53 26 93 1 54 26 94 1 55 27 28 1 56 27 95 1 57 27 96 1 58 28 29 1 59 28 31 1 60 28 97 1 61 29 30 1 62 30 98 1 63 30 99 1 64 30 100 1 65 31 32 2 66 31 101 1 67 32 33 1 68 32 102 1 69 33 34 1 70 33 35 1 71 33 103 1 72 34 104 1 73 34 105 1 74 34 106 1 75 35 36 1 76 35 37 1 77 35 107 1 78 36 108 1 79 37 38 1 80 37 109 1 81 37 110 1 82 38 39 1 83 38 41 1 84 38 111 1 85 39 40 1 86 40 112 1 87 40 113 1 88 40 114 1 89 41 42 2 90 41 115 1 91 42 43 1 92 42 116 1 93 43 44 1 94 43 45 1 95 43 117 1 96 44 118 1 97 44 119 1 98 44 120 1 99 45 46 1 100 45 121 1 101 46 47 1 102 46 48 1 103 46 122 1 104 47 123 1 105 47 124 1 106 47 125 1 107 48 49 1 108 48 51 1 109 48 126 1 110 49 50 1 111 50 127 1 112 50 128 1 113 50 129 1 114 51 52 1 115 51 53 1 116 51 130 1 117 52 131 1 118 52 132 1 119 52 133 1 120 53 54 1 121 53 134 1 122 53 135 1 123 54 55 1 124 54 136 1 125 54 137 1 126 55 56 2 127 55 57 1 128 57 58 1 129 57 59 1 130 57 138 1 131 58 139 1 132 58 140 1 133 58 141 1 134 59 60 1 135 59 62 1 136 59 142 1 137 60 61 1 138 61 143 1 139 61 144 1 140 61 145 1 141 62 63 1 142 62 146 1 143 62 147 1 144 63 64 2 145 63 148 1 146 64 65 1 147 64 149 1 148 65 66 1 149 65 67 am 150 66 150 1 151 66 151 1 152 66 152 1 153 67 68 2 154 67 153 1