@MOLECULE n-{(1e,4r,5r,7e,9s,10s,11s)-4,10-dimethoxy-11-[(2s,4s,5s)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5,9-dimethyl-6-oxo-1,7-dodecadien-1-yl}-n-methylformamide 83 84 0 0 0 SMALL GASTEIGER @ATOM 1 O -10.6980 -2.1387 -0.4818 O.2 1 UNL111111111 -0.5115 2 C -9.5098 -2.2795 -0.2869 C.2 1 UNL111111111 0.4618 3 N -8.7540 -1.2396 0.2439 N.am 1 UNL111111111 -0.4442 4 C -9.4055 0.0305 0.5702 C.3 1 UNL111111111 -0.2358 5 C -7.3744 -1.3906 0.4750 C.2 1 UNL111111111 0.0072 6 C -6.5981 -0.4495 1.0374 C.2 1 UNL111111111 -0.2295 7 C -5.1340 -0.6446 1.2331 C.3 1 UNL111111111 -0.3065 8 C -4.3664 0.3744 0.3657 C.3 1 UNL111111111 0.1297 9 O -4.6009 1.6409 0.9705 O.3 1 UNL111111111 -0.4090 10 C -5.2284 2.5858 0.1249 C.3 1 UNL111111111 -0.1949 11 C -2.8372 0.1752 0.4421 C.3 1 UNL111111111 -0.2432 12 C -2.3999 -1.1987 -0.0619 C.3 1 UNL111111111 -0.4367 13 C -2.1571 1.2145 -0.4350 C.2 1 UNL111111111 0.4889 14 O -2.6857 1.6385 -1.4380 O.2 1 UNL111111111 -0.4924 15 C -0.8057 1.6354 -0.0331 C.2 1 UNL111111111 -0.3341 16 C -0.2321 2.7130 -0.5832 C.2 1 UNL111111111 -0.0201 17 C 1.1736 3.1175 -0.2621 C.3 1 UNL111111111 -0.1650 18 C 1.3179 4.6388 -0.2816 C.3 1 UNL111111111 -0.4524 19 C 2.1044 2.4558 -1.3203 C.3 1 UNL111111111 0.0946 20 O 1.8145 1.0685 -1.2860 O.3 1 UNL111111111 -0.3610 21 C 1.2419 0.5665 -2.4797 C.3 1 UNL111111111 -0.2079 22 C 3.6096 2.6102 -0.9924 C.3 1 UNL111111111 -0.1492 23 C 4.4227 2.0175 -2.1452 C.3 1 UNL111111111 -0.4381 24 C 3.9809 1.9378 0.3447 C.3 1 UNL111111111 0.1010 25 C 5.3852 2.3180 0.8621 C.3 1 UNL111111111 -0.1914 26 C 5.4512 3.7735 1.3105 C.3 1 UNL111111111 -0.4517 27 C 5.7175 1.3877 2.0425 C.3 1 UNL111111111 -0.0355 28 O 5.5571 0.0310 1.6787 O.3 1 UNL111111111 -0.4347 29 C 4.2563 -0.2517 1.1926 C.3 1 UNL111111111 0.3053 30 O 3.9710 0.5478 0.0661 O.3 1 UNL111111111 -0.3983 31 C 4.2543 -1.6604 0.6781 C.ar 1 UNL111111111 -0.1359 32 C 3.2626 -2.0204 -0.2425 C.ar 1 UNL111111111 -0.0600 33 C 3.2182 -3.3107 -0.7451 C.ar 1 UNL111111111 -0.2672 34 C 4.1865 -4.2336 -0.3142 C.ar 1 UNL111111111 0.2639 35 C 5.1834 -3.8862 0.5960 C.ar 1 UNL111111111 -0.3136 36 C 5.2121 -2.5811 1.0884 C.ar 1 UNL111111111 -0.0472 37 O 4.0241 -5.4614 -0.8778 O.3 1 UNL111111111 -0.3239 38 C 4.9725 -6.4622 -0.5375 C.3 1 UNL111111111 -0.2018 39 H -8.9719 -3.2099 -0.5121 H 1 UNL111111111 0.1319 40 H -9.3286 0.2460 1.6499 H 1 UNL111111111 0.1453 41 H -8.9503 0.8608 0.0029 H 1 UNL111111111 0.1453 42 H -10.4828 -0.0084 0.3095 H 1 UNL111111111 0.1784 43 H -6.9687 -2.3561 0.1511 H 1 UNL111111111 0.1518 44 H -6.9726 0.5138 1.3754 H 1 UNL111111111 0.1673 45 H -4.8723 -0.4851 2.3019 H 1 UNL111111111 0.1637 46 H -4.8107 -1.6735 0.9904 H 1 UNL111111111 0.1451 47 H -4.7147 0.3452 -0.6888 H 1 UNL111111111 0.1425 48 H -5.2779 3.4837 0.7525 H 1 UNL111111111 0.1406 49 H -4.6228 2.7780 -0.7694 H 1 UNL111111111 0.1439 50 H -6.2327 2.2522 -0.1517 H 1 UNL111111111 0.1176 51 H -2.5198 0.3165 1.5040 H 1 UNL111111111 0.1680 52 H -2.7958 -1.4030 -1.0651 H 1 UNL111111111 0.1550 53 H -1.3048 -1.2749 -0.1192 H 1 UNL111111111 0.1588 54 H -2.7411 -2.0010 0.6021 H 1 UNL111111111 0.1501 55 H -0.2946 1.0094 0.6951 H 1 UNL111111111 0.1757 56 H -0.7577 3.3317 -1.3146 H 1 UNL111111111 0.1558 57 H 1.4559 2.7329 0.7505 H 1 UNL111111111 0.1582 58 H 2.3114 4.9536 0.0574 H 1 UNL111111111 0.1459 59 H 1.1636 5.0536 -1.2841 H 1 UNL111111111 0.1485 60 H 0.5852 5.1124 0.3844 H 1 UNL111111111 0.1540 61 H 1.8991 2.8950 -2.3206 H 1 UNL111111111 0.1233 62 H 0.2827 1.0492 -2.6928 H 1 UNL111111111 0.1267 63 H 1.9336 0.6726 -3.3205 H 1 UNL111111111 0.1232 64 H 1.0869 -0.4953 -2.2492 H 1 UNL111111111 0.1457 65 H 3.8343 3.7006 -0.9062 H 1 UNL111111111 0.1393 66 H 4.2158 0.9390 -2.2456 H 1 UNL111111111 0.1786 67 H 4.1912 2.4979 -3.0995 H 1 UNL111111111 0.1353 68 H 5.4999 2.1129 -1.9714 H 1 UNL111111111 0.1457 69 H 3.2109 2.1504 1.1211 H 1 UNL111111111 0.1145 70 H 6.1259 2.1309 0.0474 H 1 UNL111111111 0.1644 71 H 4.6823 4.0088 2.0552 H 1 UNL111111111 0.1450 72 H 6.4251 4.0080 1.7578 H 1 UNL111111111 0.1490 73 H 5.3160 4.4612 0.4673 H 1 UNL111111111 0.1472 74 H 6.7867 1.4368 2.3185 H 1 UNL111111111 0.1410 75 H 5.0981 1.6029 2.9303 H 1 UNL111111111 0.1160 76 H 3.5147 -0.0647 2.0007 H 1 UNL111111111 0.1098 77 H 2.5348 -1.2704 -0.5702 H 1 UNL111111111 0.1770 78 H 2.4626 -3.6165 -1.4619 H 1 UNL111111111 0.1699 79 H 5.9310 -4.5993 0.9213 H 1 UNL111111111 0.1615 80 H 5.9912 -2.2826 1.7929 H 1 UNL111111111 0.1650 81 H 5.9793 -6.1689 -0.8509 H 1 UNL111111111 0.1357 82 H 4.9355 -6.6880 0.5326 H 1 UNL111111111 0.1331 83 H 4.6236 -7.3229 -1.1239 H 1 UNL111111111 0.1504 @BOND 1 1 2 2 2 2 3 am 3 2 39 1 4 3 4 1 5 3 5 1 6 4 40 1 7 4 41 1 8 4 42 1 9 5 6 2 10 5 43 1 11 6 7 1 12 6 44 1 13 7 8 1 14 7 45 1 15 7 46 1 16 8 9 1 17 8 47 1 18 9 10 1 19 10 48 1 20 10 49 1 21 10 50 1 22 11 8 1 23 11 51 1 24 12 11 1 25 12 52 1 26 12 53 1 27 12 54 1 28 13 11 1 29 13 14 2 30 15 16 2 31 15 13 1 32 15 55 1 33 16 56 1 34 17 16 1 35 17 18 1 36 17 57 1 37 18 58 1 38 18 59 1 39 18 60 1 40 19 17 1 41 19 20 1 42 19 61 1 43 20 21 1 44 21 62 1 45 21 63 1 46 21 64 1 47 22 19 1 48 22 65 1 49 23 22 1 50 23 66 1 51 23 67 1 52 23 68 1 53 24 22 1 54 24 69 1 55 25 26 1 56 25 24 1 57 25 70 1 58 26 71 1 59 26 72 1 60 26 73 1 61 27 25 1 62 27 74 1 63 27 75 1 64 28 27 1 65 28 29 1 66 29 30 1 67 29 76 1 68 30 24 1 69 31 29 1 70 31 36 ar 71 32 31 ar 72 32 77 1 73 33 32 ar 74 33 34 ar 75 33 78 1 76 34 35 ar 77 35 36 ar 78 35 79 1 79 36 80 1 80 37 34 1 81 37 38 1 82 38 81 1 83 38 82 1 84 38 83 1