@MOLECULE n-[(e)-2-(3,4-dihydroxyphenyl)vinyl]-beta-alaninamide 30 30 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.9003 -1.6121 0.3672 O.3 1 UNL111111111 -0.4526 2 O 5.4864 1.0362 0.1370 O.3 1 UNL111111111 -0.4937 3 O -3.1916 1.2763 0.4179 O.2 1 UNL111111111 -0.4912 4 N -2.1672 -0.6446 -0.2137 N.am 1 UNL111111111 -0.5725 5 N -7.1075 -0.1959 0.0579 N.3 1 UNL111111111 -0.6390 6 C -4.6198 -0.5806 -0.1274 C.3 1 UNL111111111 -0.4306 7 C 1.5735 -0.2922 -0.2300 C.ar 1 UNL111111111 0.0485 8 C -5.7747 0.3970 0.2046 C.3 1 UNL111111111 -0.0689 9 C -3.3030 0.1269 0.0598 C.2 1 UNL111111111 0.5903 10 C 2.6238 -1.1903 0.0137 C.ar 1 UNL111111111 -0.2242 11 C 0.2228 -0.8178 -0.3648 C.2 1 UNL111111111 -0.3022 12 C 1.8401 1.0755 -0.3536 C.ar 1 UNL111111111 -0.1785 13 C 3.9197 -0.7043 0.1348 C.ar 1 UNL111111111 0.2183 14 C -0.8791 -0.0995 -0.0706 C.2 1 UNL111111111 0.0941 15 C 4.1751 0.6756 0.0137 C.ar 1 UNL111111111 0.1220 16 C 3.1408 1.5672 -0.2291 C.ar 1 UNL111111111 -0.2128 17 H -4.6791 -1.4721 0.5268 H 1 UNL111111111 0.1700 18 H -4.7215 -0.9463 -1.1675 H 1 UNL111111111 0.1692 19 H -5.7096 1.2973 -0.4493 H 1 UNL111111111 0.1605 20 H -5.6640 0.7755 1.2474 H 1 UNL111111111 0.1614 21 H 2.4396 -2.2579 0.1130 H 1 UNL111111111 0.1774 22 H 0.1556 -1.8481 -0.7135 H 1 UNL111111111 0.1627 23 H 1.0291 1.7712 -0.5602 H 1 UNL111111111 0.1590 24 H -2.2534 -1.6013 -0.5252 H 1 UNL111111111 0.3102 25 H -0.8546 0.9356 0.3007 H 1 UNL111111111 0.1868 26 H 3.3345 2.6316 -0.3264 H 1 UNL111111111 0.1590 27 H -7.2633 -0.9658 0.6846 H 1 UNL111111111 0.2495 28 H -7.3046 -0.4851 -0.8839 H 1 UNL111111111 0.2493 29 H 5.7838 -1.1647 0.4525 H 1 UNL111111111 0.3413 30 H 5.5942 2.0167 0.1383 H 1 UNL111111111 0.3368 @BOND 1 1 13 1 2 1 29 1 3 2 15 1 4 2 30 1 5 3 9 2 6 4 9 am 7 4 14 1 8 4 24 1 9 5 8 1 10 5 27 1 11 5 28 1 12 6 8 1 13 6 9 1 14 6 17 1 15 6 18 1 16 7 10 ar 17 7 11 1 18 7 12 ar 19 8 19 1 20 8 20 1 21 10 13 ar 22 10 21 1 23 11 14 2 24 11 22 1 25 12 16 ar 26 12 23 1 27 13 15 ar 28 14 25 1 29 15 16 ar 30 16 26 1