@MOLECULE (1s,2s)-1-(3,4-dimethoxyphenyl)-2-{2-methoxy-4-[(1e)-1-propen-1-yl]phenoxy}-1-propanol 52 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.4856 0.3337 0.5349 O.3 1 UNL1111111111 -0.3282 2 O 1.1932 3.2483 -0.8078 O.3 1 UNL1111111111 -0.5499 3 O 3.6183 -2.1442 -1.0504 O.3 1 UNL1111111111 -0.3337 4 O 5.8430 -0.7287 0.0871 O.3 1 UNL1111111111 -0.3405 5 O -1.9857 -0.6442 2.4143 O.3 1 UNL1111111111 -0.2673 6 C 0.8824 1.8667 -0.6983 C.3 1 UNL1111111111 0.1122 7 C -0.0953 1.7115 0.5036 C.3 1 UNL1111111111 0.0828 8 C 2.1936 1.1618 -0.4946 C.ar 1 UNL1111111111 -0.0231 9 C 0.5682 1.9884 1.8427 C.3 1 UNL1111111111 -0.4647 10 C 2.3259 -0.1683 -0.8972 C.ar 1 UNL1111111111 -0.1864 11 C 3.2697 1.8384 0.0826 C.ar 1 UNL1111111111 -0.1323 12 C -1.8048 0.1176 0.2369 C.ar 1 UNL1111111111 0.1037 13 C 3.5449 -0.8149 -0.7032 C.ar 1 UNL1111111111 0.1235 14 C 4.4783 1.1834 0.3025 C.ar 1 UNL1111111111 -0.1983 15 C 4.6107 -0.1493 -0.0823 C.ar 1 UNL1111111111 0.1290 16 C -2.6105 -0.5050 1.2197 C.ar 1 UNL1111111111 0.1898 17 C -2.3156 0.3954 -1.0226 C.ar 1 UNL1111111111 -0.1763 18 C -3.9170 -0.8628 0.9083 C.ar 1 UNL1111111111 -0.2903 19 C -4.4376 -0.5595 -0.3623 C.ar 1 UNL1111111111 0.0465 20 C -3.6365 0.0628 -1.3220 C.ar 1 UNL1111111111 -0.2012 21 C -5.8275 -0.9126 -0.6499 C.2 1 UNL1111111111 -0.2090 22 C 4.5291 -2.3837 -2.1189 C.3 1 UNL1111111111 -0.2015 23 C 5.8188 -1.8136 1.0144 C.3 1 UNL1111111111 -0.1989 24 C -2.6689 -1.3696 3.4326 C.3 1 UNL1111111111 -0.2179 25 C -6.6616 -0.1112 -1.3248 C.2 1 UNL1111111111 -0.0954 26 C -8.0762 -0.4700 -1.6140 C.3 1 UNL1111111111 -0.4524 27 H 0.3944 1.5358 -1.6436 H 1 UNL1111111111 0.1265 28 H -0.9749 2.3726 0.3518 H 1 UNL1111111111 0.1222 29 H 1.3021 1.2079 2.0907 H 1 UNL1111111111 0.1721 30 H 1.0986 2.9505 1.8225 H 1 UNL1111111111 0.1628 31 H -0.1636 2.0080 2.6582 H 1 UNL1111111111 0.1517 32 H 1.4926 -0.7129 -1.3399 H 1 UNL1111111111 0.1792 33 H 3.1605 2.8868 0.3658 H 1 UNL1111111111 0.1739 34 H 0.4255 3.7507 -1.1329 H 1 UNL1111111111 0.3107 35 H 5.3174 1.6946 0.7696 H 1 UNL1111111111 0.1689 36 H -1.6806 0.8630 -1.7734 H 1 UNL1111111111 0.1605 37 H -4.5501 -1.3654 1.6314 H 1 UNL1111111111 0.1654 38 H -4.0409 0.2798 -2.3074 H 1 UNL1111111111 0.1571 39 H -6.1498 -1.8797 -0.2619 H 1 UNL1111111111 0.1573 40 H 4.4975 -3.4742 -2.2198 H 1 UNL1111111111 0.1430 41 H 4.1740 -1.8983 -3.0293 H 1 UNL1111111111 0.1289 42 H 5.5407 -2.0456 -1.8667 H 1 UNL1111111111 0.1442 43 H 5.1896 -2.6303 0.6468 H 1 UNL1111111111 0.1459 44 H 6.8654 -2.1227 1.0577 H 1 UNL1111111111 0.1412 45 H 5.4727 -1.4705 1.9953 H 1 UNL1111111111 0.1309 46 H -2.6601 -2.4425 3.1946 H 1 UNL1111111111 0.1387 47 H -2.0421 -1.1716 4.3097 H 1 UNL1111111111 0.1537 48 H -3.6843 -0.9956 3.5931 H 1 UNL1111111111 0.1331 49 H -6.3457 0.8624 -1.7010 H 1 UNL1111111111 0.1445 50 H -8.7714 0.2591 -1.1717 H 1 UNL1111111111 0.1570 51 H -8.2673 -0.4815 -2.6978 H 1 UNL1111111111 0.1572 52 H -8.3567 -1.4588 -1.2271 H 1 UNL1111111111 0.1530 @BOND 1 1 7 1 2 1 12 1 3 2 6 1 4 2 34 1 5 3 13 1 6 3 22 1 7 4 15 1 8 4 23 1 9 5 16 1 10 5 24 1 11 6 7 1 12 6 8 1 13 6 27 1 14 7 9 1 15 7 28 1 16 8 10 ar 17 8 11 ar 18 9 29 1 19 9 30 1 20 9 31 1 21 10 13 ar 22 10 32 1 23 11 14 ar 24 11 33 1 25 12 16 ar 26 12 17 ar 27 13 15 ar 28 14 15 ar 29 14 35 1 30 16 18 ar 31 17 20 ar 32 17 36 1 33 18 19 ar 34 18 37 1 35 19 20 ar 36 19 21 1 37 20 38 1 38 21 25 2 39 21 39 1 40 22 40 1 41 22 41 1 42 22 42 1 43 23 43 1 44 23 44 1 45 23 45 1 46 24 46 1 47 24 47 1 48 24 48 1 49 25 26 1 50 25 49 1 51 26 50 1 52 26 51 1 53 26 52 1