@MOLECULE (2e,4e,6r)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxo-2,4-heptadienoic acid 42 42 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.9543 3.1320 1.0752 O.2 1 UNL1111111111 -0.2803 2 O -6.5632 -1.6143 -0.1665 O.3 1 UNL1111111111 -0.4310 3 O -5.2711 -1.8690 1.6300 O.2 1 UNL1111111111 -0.3448 4 N 4.6841 -1.9248 0.1358 N.pl3 1 UNL1111111111 -0.2497 5 C -0.4492 2.1427 -0.5734 C.3 1 UNL1111111111 0.2933 6 C 0.7887 2.2009 0.3235 C.2 1 UNL1111111111 0.1389 7 C 1.7758 1.1133 0.2205 C.ar 1 UNL1111111111 -0.1311 8 C -1.4729 1.2702 0.0764 C.2 1 UNL1111111111 -0.5384 9 C -1.0258 3.5509 -0.7509 C.3 1 UNL1111111111 -0.9559 10 C 3.7432 -0.8987 0.0856 C.ar 1 UNL1111111111 0.5567 11 C 1.4486 -0.1657 -0.2344 C.ar 1 UNL1111111111 -0.0532 12 C 3.0910 1.3776 0.6197 C.ar 1 UNL1111111111 -0.0859 13 C 2.4098 -1.1601 -0.3093 C.ar 1 UNL1111111111 -0.5580 14 C 4.0683 0.3995 0.5426 C.ar 1 UNL1111111111 -0.5239 15 C -2.2038 0.3402 -0.5590 C.2 1 UNL1111111111 0.2817 16 C -2.0749 0.0129 -2.0080 C.3 1 UNL1111111111 -0.8711 17 C 4.4280 -3.1393 -0.6517 C.3 1 UNL1111111111 -0.6312 18 C 6.1061 -1.5558 0.1954 C.3 1 UNL1111111111 -0.6397 19 C -3.2182 -0.4041 0.1918 C.2 1 UNL1111111111 -0.2262 20 C -4.4291 -0.6987 -0.3026 C.2 1 UNL1111111111 -0.1564 21 C -5.3955 -1.4360 0.5112 C.2 1 UNL1111111111 0.2677 22 H -0.1446 1.7512 -1.5758 H 1 UNL1111111111 0.1112 23 H -1.6179 1.4713 1.1421 H 1 UNL1111111111 0.2730 24 H -1.9400 3.5364 -1.3525 H 1 UNL1111111111 0.2658 25 H -1.2661 4.0073 0.2205 H 1 UNL1111111111 0.2887 26 H -0.3041 4.2156 -1.2402 H 1 UNL1111111111 0.2631 27 H 0.4211 -0.3968 -0.5264 H 1 UNL1111111111 0.1882 28 H 3.3439 2.3743 0.9968 H 1 UNL1111111111 0.2182 29 H 2.1215 -2.1446 -0.6619 H 1 UNL1111111111 0.2539 30 H 5.0799 0.6403 0.8519 H 1 UNL1111111111 0.2484 31 H -1.0412 0.0984 -2.3722 H 1 UNL1111111111 0.2580 32 H -2.4026 -1.0120 -2.2351 H 1 UNL1111111111 0.2562 33 H -2.6881 0.6924 -2.6200 H 1 UNL1111111111 0.2590 34 H 4.3174 -2.9393 -1.7302 H 1 UNL1111111111 0.2405 35 H 3.5084 -3.6308 -0.2821 H 1 UNL1111111111 0.2268 36 H 5.2475 -3.8652 -0.5148 H 1 UNL1111111111 0.2590 37 H 6.3045 -1.0083 1.1363 H 1 UNL1111111111 0.2341 38 H 6.4261 -0.9317 -0.6553 H 1 UNL1111111111 0.2400 39 H 6.7376 -2.4599 0.2198 H 1 UNL1111111111 0.2586 40 H -2.9352 -0.7055 1.2111 H 1 UNL1111111111 0.2374 41 H -4.7608 -0.4125 -1.3007 H 1 UNL1111111111 0.2196 42 H -7.2442 -2.1068 0.3539 H 1 UNL1111111111 0.3385 @BOND 1 1 6 2 2 2 21 1 3 2 42 1 4 3 21 2 5 4 10 1 6 4 17 1 7 4 18 1 8 5 6 1 9 5 8 1 10 5 9 1 11 5 22 1 12 6 7 1 13 7 11 ar 14 7 12 ar 15 8 15 2 16 8 23 1 17 9 24 1 18 9 25 1 19 9 26 1 20 10 13 ar 21 10 14 ar 22 11 13 ar 23 11 27 1 24 12 14 ar 25 12 28 1 26 13 29 1 27 14 30 1 28 15 16 1 29 15 19 1 30 16 31 1 31 16 32 1 32 16 33 1 33 17 34 1 34 17 35 1 35 17 36 1 36 18 37 1 37 18 38 1 38 18 39 1 39 19 20 2 40 19 40 1 41 20 21 1 42 20 41 1