@MOLECULE (2e)-3-(2,3,4-trimethoxyphenyl)acrylic acid 31 31 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2334 -1.8868 -0.0311 O.3 1 UNL1111111111 -0.2934 2 O 2.5819 -1.4362 -0.4758 O.3 1 UNL1111111111 -0.2984 3 O 3.5164 1.0739 -0.2246 O.3 1 UNL1111111111 -0.2880 4 O -5.0448 0.6791 -1.0805 O.3 1 UNL1111111111 -0.5603 5 O -4.8416 -0.2792 0.9228 O.2 1 UNL1111111111 -0.5175 6 C 0.3804 -0.6885 0.0460 C.ar 1 UNL1111111111 0.2567 7 C -0.5347 0.3637 0.2934 C.ar 1 UNL1111111111 -0.1998 8 C 1.7397 -0.4152 -0.1236 C.ar 1 UNL1111111111 -0.0548 9 C 2.1822 0.9216 -0.0476 C.ar 1 UNL1111111111 0.2467 10 C -0.0659 1.6707 0.3596 C.ar 1 UNL1111111111 -0.0242 11 C 1.2833 1.9617 0.1940 C.ar 1 UNL1111111111 -0.3503 12 C -1.9421 0.0361 0.4693 C.2 1 UNL1111111111 0.0251 13 C -2.9195 0.7050 -0.1576 C.2 1 UNL1111111111 -0.3145 14 C 0.5483 -3.0462 -0.2948 C.3 1 UNL1111111111 -0.1883 15 C 3.6053 -1.6915 0.4847 C.3 1 UNL1111111111 -0.2125 16 C 4.0320 2.3967 -0.1128 C.3 1 UNL1111111111 -0.2094 17 C -4.3135 0.3051 0.0092 C.2 1 UNL1111111111 0.6526 18 H -0.7709 2.4857 0.5440 H 1 UNL1111111111 0.1628 19 H 1.6208 2.9907 0.2488 H 1 UNL1111111111 0.1700 20 H -2.1567 -0.8196 1.1254 H 1 UNL1111111111 0.1742 21 H -2.7342 1.5296 -0.8466 H 1 UNL1111111111 0.1900 22 H 1.2524 -3.2301 0.5212 H 1 UNL1111111111 0.1369 23 H 1.0675 -2.9615 -1.2562 H 1 UNL1111111111 0.1505 24 H -0.2236 -3.8274 -0.3346 H 1 UNL1111111111 0.1493 25 H 3.1836 -1.8659 1.4774 H 1 UNL1111111111 0.1279 26 H 4.3247 -0.8669 0.5102 H 1 UNL1111111111 0.1427 27 H 4.0774 -2.5997 0.0900 H 1 UNL1111111111 0.1465 28 H 3.8498 2.8040 0.8866 H 1 UNL1111111111 0.1368 29 H 3.6173 3.0440 -0.8928 H 1 UNL1111111111 0.1402 30 H 5.1065 2.2461 -0.2777 H 1 UNL1111111111 0.1535 31 H -5.9908 0.4072 -1.0275 H 1 UNL1111111111 0.3492 @BOND 1 1 6 1 2 1 14 1 3 2 8 1 4 2 15 1 5 3 9 1 6 3 16 1 7 4 17 1 8 4 31 1 9 5 17 2 10 6 7 ar 11 6 8 ar 12 7 10 ar 13 7 12 1 14 8 9 ar 15 9 11 ar 16 10 11 ar 17 10 18 1 18 11 19 1 19 12 13 2 20 12 20 1 21 13 17 1 22 13 21 1 23 14 22 1 24 14 23 1 25 14 24 1 26 15 25 1 27 15 26 1 28 15 27 1 29 16 28 1 30 16 29 1 31 16 30 1