@MOLECULE (2e)-3-(4-{[(2e)-3,7-dimethyl-2,6-octadien-1-yl]oxy}-3-methoxyphenyl)acrylic acid 50 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.1970 0.6541 -0.7753 O.3 1 UNL111111111 -0.2893 2 O 0.0520 -1.5579 -0.6386 O.3 1 UNL111111111 -0.2776 3 O 6.9932 -1.1923 1.2372 O.3 1 UNL111111111 -0.5622 4 O 7.2582 0.7255 0.1408 O.2 1 UNL111111111 -0.5179 5 C -5.6712 0.9669 0.1741 C.3 1 UNL111111111 -0.2914 6 C -5.7087 -0.4011 0.8894 C.3 1 UNL111111111 -0.2443 7 C -4.3019 1.5723 0.2856 C.2 1 UNL111111111 0.0826 8 C -3.3777 1.3320 -0.6535 C.2 1 UNL111111111 -0.2636 9 C -5.0328 -1.4437 0.0599 C.2 1 UNL111111111 -0.2570 10 C -4.0709 2.4313 1.4835 C.3 1 UNL111111111 -0.4650 11 C -1.9831 1.8544 -0.6336 C.3 1 UNL111111111 -0.0446 12 C -3.7800 -1.8844 0.2348 C.2 1 UNL111111111 0.0866 13 C 0.1402 0.7851 -0.6410 C.ar 1 UNL111111111 0.1804 14 C 0.8444 -0.4533 -0.5670 C.ar 1 UNL111111111 0.1388 15 C -3.1901 -2.9082 -0.6850 C.3 1 UNL111111111 -0.4641 16 C -2.8462 -1.4200 1.3003 C.3 1 UNL111111111 -0.4661 17 C 0.8458 1.9789 -0.5883 C.ar 1 UNL111111111 -0.2667 18 C 2.9247 0.7538 -0.3758 C.ar 1 UNL111111111 -0.0647 19 C 2.2201 -0.4617 -0.4397 C.ar 1 UNL111111111 -0.2242 20 C 2.2383 1.9603 -0.4622 C.ar 1 UNL111111111 -0.1168 21 C 4.3733 0.7573 -0.2214 C.2 1 UNL111111111 -0.0094 22 C 0.7270 -2.8091 -0.5563 C.3 1 UNL111111111 -0.2164 23 C 5.0485 -0.1865 0.4540 C.2 1 UNL111111111 -0.3083 24 C 6.5044 -0.1157 0.5585 C.2 1 UNL111111111 0.6505 25 H -5.9630 0.8360 -0.8875 H 1 UNL111111111 0.1522 26 H -6.4365 1.6383 0.6077 H 1 UNL111111111 0.1412 27 H -5.2503 -0.3140 1.8941 H 1 UNL111111111 0.1425 28 H -6.7630 -0.6910 1.0740 H 1 UNL111111111 0.1367 29 H -3.5885 0.6733 -1.4985 H 1 UNL111111111 0.1732 30 H -5.6487 -1.8281 -0.7506 H 1 UNL111111111 0.1442 31 H -4.1795 3.4939 1.2316 H 1 UNL111111111 0.1586 32 H -3.0662 2.2929 1.9084 H 1 UNL111111111 0.1585 33 H -4.7832 2.2171 2.2923 H 1 UNL111111111 0.1561 34 H -1.7781 2.5162 -1.4965 H 1 UNL111111111 0.1360 35 H -1.7067 2.3641 0.3065 H 1 UNL111111111 0.1320 36 H -2.3187 -2.4866 -1.2140 H 1 UNL111111111 0.1684 37 H -2.8440 -3.7896 -0.1308 H 1 UNL111111111 0.1502 38 H -3.8965 -3.2544 -1.4487 H 1 UNL111111111 0.1485 39 H -2.5733 -2.2364 1.9812 H 1 UNL111111111 0.1505 40 H -1.9110 -1.0369 0.8509 H 1 UNL111111111 0.1790 41 H -3.2546 -0.6017 1.9054 H 1 UNL111111111 0.1511 42 H 0.3332 2.9341 -0.6519 H 1 UNL111111111 0.1657 43 H 2.7732 -1.3959 -0.3831 H 1 UNL111111111 0.1697 44 H 2.7805 2.9041 -0.4249 H 1 UNL111111111 0.1566 45 H 4.9014 1.5999 -0.6905 H 1 UNL111111111 0.1705 46 H -0.1049 -3.5254 -0.6276 H 1 UNL111111111 0.1561 47 H 1.2384 -2.9182 0.4053 H 1 UNL111111111 0.1361 48 H 1.4170 -2.9351 -1.3960 H 1 UNL111111111 0.1367 49 H 4.5727 -1.0286 0.9555 H 1 UNL111111111 0.1879 50 H 7.9755 -1.1831 1.3293 H 1 UNL111111111 0.3524 @BOND 1 1 11 1 2 1 13 1 3 2 14 1 4 2 22 1 5 3 24 1 6 3 50 1 7 4 24 2 8 5 6 1 9 5 7 1 10 5 25 1 11 5 26 1 12 6 9 1 13 6 27 1 14 6 28 1 15 7 8 2 16 7 10 1 17 8 11 1 18 8 29 1 19 9 12 2 20 9 30 1 21 10 31 1 22 10 32 1 23 10 33 1 24 11 34 1 25 11 35 1 26 12 15 1 27 12 16 1 28 13 14 ar 29 13 17 ar 30 14 19 ar 31 15 36 1 32 15 37 1 33 15 38 1 34 16 39 1 35 16 40 1 36 16 41 1 37 17 20 ar 38 17 42 1 39 18 19 ar 40 18 20 ar 41 18 21 1 42 19 43 1 43 20 44 1 44 21 23 2 45 21 45 1 46 22 46 1 47 22 47 1 48 22 48 1 49 23 24 1 50 23 49 1