@MOLECULE 2-allyl-4,5-dimethoxy-4-[(1e)-1-(3,4,5-trimethoxyphenyl)-1-propen-2-yl]-2,5-cyclohexadien-1-one 57 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.8802 1.1613 -2.2070 O.3 1 UNL1111111111 -0.3388 2 O -2.3790 2.7113 -0.0257 O.2 1 UNL1111111111 -0.2687 3 O -4.6451 -0.8016 2.2136 O.2 1 UNL1111111111 -0.4504 4 O 3.9814 -2.2509 -1.0029 O.3 1 UNL1111111111 -0.3390 5 O 4.1634 1.9583 1.1496 O.3 1 UNL1111111111 -0.2766 6 O 5.4211 -0.2395 0.3399 O.3 1 UNL1111111111 -0.2999 7 C -2.4108 0.5944 -0.9979 C.3 1 UNL1111111111 0.1746 8 C -0.8909 0.5893 -1.0870 C.2 1 UNL1111111111 0.0478 9 C -2.8744 -0.8278 -0.8605 C.2 1 UNL1111111111 -0.1874 10 C -2.8078 1.4558 0.1946 C.2 1 UNL1111111111 0.2587 11 C -3.5040 -1.3025 0.2187 C.2 1 UNL1111111111 -0.0906 12 C -3.4572 0.9863 1.2754 C.2 1 UNL1111111111 -0.4884 13 C -3.9254 -0.3959 1.3267 C.2 1 UNL1111111111 0.4810 14 C -0.1817 0.0370 -0.0947 C.2 1 UNL1111111111 -0.2340 15 C -0.3109 1.1974 -2.3087 C.3 1 UNL1111111111 -0.4395 16 C -3.8085 -2.7560 0.3924 C.3 1 UNL1111111111 -0.2871 17 C 1.2813 -0.0159 -0.0460 C.ar 1 UNL1111111111 0.1068 18 C -4.2962 1.2287 -2.2927 C.3 1 UNL1111111111 -0.2114 19 C 1.9744 1.0476 0.5405 C.ar 1 UNL1111111111 -0.3302 20 C 1.9567 -1.1305 -0.5358 C.ar 1 UNL1111111111 -0.2808 21 C -2.6412 -3.4177 1.0642 C.2 1 UNL1111111111 -0.0908 22 C 3.3496 -1.1770 -0.4306 C.ar 1 UNL1111111111 0.2154 23 C 3.3641 0.9931 0.6294 C.ar 1 UNL1111111111 0.2135 24 C -2.3092 3.5615 1.1170 C.3 1 UNL1111111111 -0.2152 25 C 4.0686 -0.1310 0.1491 C.ar 1 UNL1111111111 -0.0057 26 C -1.9227 -4.3841 0.4945 C.2 1 UNL1111111111 -0.3386 27 C 4.5089 -3.1502 -0.0291 C.3 1 UNL1111111111 -0.1903 28 C 3.5136 3.1054 1.6855 C.3 1 UNL1111111111 -0.2139 29 C 6.1550 0.3719 -0.7223 C.3 1 UNL1111111111 -0.2050 30 H -2.6029 -1.4526 -1.7135 H 1 UNL1111111111 0.1782 31 H -3.6959 1.5836 2.1486 H 1 UNL1111111111 0.1930 32 H -0.6636 -0.4193 0.7757 H 1 UNL1111111111 0.1742 33 H -0.6178 2.2502 -2.4131 H 1 UNL1111111111 0.1684 34 H 0.7885 1.1706 -2.3147 H 1 UNL1111111111 0.1662 35 H -0.6582 0.6811 -3.2178 H 1 UNL1111111111 0.1693 36 H -4.0488 -3.2356 -0.5789 H 1 UNL1111111111 0.1532 37 H -4.7224 -2.8924 1.0207 H 1 UNL1111111111 0.1817 38 H -4.4492 1.6827 -3.2801 H 1 UNL1111111111 0.1506 39 H -4.7026 1.8754 -1.5083 H 1 UNL1111111111 0.1323 40 H -4.7451 0.2305 -2.2542 H 1 UNL1111111111 0.1341 41 H 1.4186 1.9012 0.9157 H 1 UNL1111111111 0.1714 42 H 1.4230 -1.9582 -0.9941 H 1 UNL1111111111 0.1825 43 H -2.4235 -3.0398 2.0639 H 1 UNL1111111111 0.1492 44 H -3.3006 3.7060 1.5611 H 1 UNL1111111111 0.1412 45 H -1.5915 3.1526 1.8438 H 1 UNL1111111111 0.1442 46 H -1.9326 4.4979 0.6873 H 1 UNL1111111111 0.1537 47 H -1.0819 -4.8594 0.9750 H 1 UNL1111111111 0.1453 48 H -2.1115 -4.7776 -0.4907 H 1 UNL1111111111 0.1427 49 H 5.2581 -2.6524 0.5965 H 1 UNL1111111111 0.1458 50 H 3.6995 -3.5650 0.5812 H 1 UNL1111111111 0.1284 51 H 4.9717 -3.9286 -0.6471 H 1 UNL1111111111 0.1441 52 H 2.9723 3.6492 0.9058 H 1 UNL1111111111 0.1343 53 H 2.8558 2.8315 2.5160 H 1 UNL1111111111 0.1365 54 H 4.3629 3.6985 2.0506 H 1 UNL1111111111 0.1523 55 H 7.1952 0.1975 -0.4255 H 1 UNL1111111111 0.1440 56 H 5.9385 1.4427 -0.7703 H 1 UNL1111111111 0.1319 57 H 5.9325 -0.1217 -1.6736 H 1 UNL1111111111 0.1356 @BOND 1 1 7 1 2 1 18 1 3 2 10 1 4 2 24 1 5 3 13 2 6 4 22 1 7 4 27 1 8 5 23 1 9 5 28 1 10 6 25 1 11 6 29 1 12 7 8 1 13 7 9 1 14 7 10 1 15 8 14 2 16 8 15 1 17 9 11 2 18 9 30 1 19 10 12 2 20 11 13 1 21 11 16 1 22 12 13 1 23 12 31 1 24 14 17 1 25 14 32 1 26 15 33 1 27 15 34 1 28 15 35 1 29 16 21 1 30 16 36 1 31 16 37 1 32 17 19 ar 33 17 20 ar 34 18 38 1 35 18 39 1 36 18 40 1 37 19 23 ar 38 19 41 1 39 20 22 ar 40 20 42 1 41 21 26 2 42 21 43 1 43 22 25 ar 44 23 25 ar 45 24 44 1 46 24 45 1 47 24 46 1 48 26 47 1 49 26 48 1 50 27 49 1 51 27 50 1 52 27 51 1 53 28 52 1 54 28 53 1 55 28 54 1 56 29 55 1 57 29 56 1 58 29 57 1