@MOLECULE (2e)-2-cyano-3-(3,4-dihydroxyphenyl)-n-(4-phenylbutyl)acrylamide 45 46 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4592 -3.1414 -0.9106 O.2 1 UNL1111111111 -0.5294 2 O 4.9090 2.6162 -1.5826 O.3 1 UNL1111111111 -0.4406 3 O 6.8166 2.1295 0.2983 O.3 1 UNL1111111111 -0.4854 4 N -0.8491 -2.2292 0.6945 N.am 1 UNL1111111111 -0.5778 5 N 1.0178 0.3950 2.1528 N.1 1 UNL1111111111 -0.2315 6 C -3.6432 -1.1821 -0.0927 C.3 1 UNL1111111111 -0.2562 7 C -2.8986 -2.3693 -0.7077 C.3 1 UNL1111111111 -0.3022 8 C -4.4945 -0.4673 -1.1546 C.3 1 UNL1111111111 -0.2911 9 C -1.9935 -3.0698 0.3218 C.3 1 UNL1111111111 -0.0622 10 C -5.1923 0.7028 -0.5318 C.ar 1 UNL1111111111 0.0173 11 C -6.5190 0.5897 -0.1117 C.ar 1 UNL1111111111 -0.1827 12 C -4.5085 1.9080 -0.3541 C.ar 1 UNL1111111111 -0.1789 13 C 0.3099 -2.3023 -0.0415 C.2 1 UNL1111111111 0.5880 14 C -7.1581 1.6758 0.4827 C.ar 1 UNL1111111111 -0.1348 15 C -5.1494 2.9914 0.2413 C.ar 1 UNL1111111111 -0.1314 16 C -6.4743 2.8774 0.6601 C.ar 1 UNL1111111111 -0.1665 17 C 1.4036 -1.3340 0.2853 C.2 1 UNL1111111111 -0.1907 18 C 3.6792 -0.4991 -0.2162 C.ar 1 UNL1111111111 -0.0560 19 C 2.5445 -1.4012 -0.4251 C.2 1 UNL1111111111 0.0326 20 C 3.7774 0.6509 -1.0069 C.ar 1 UNL1111111111 -0.1936 21 C 4.6376 -0.7956 0.7504 C.ar 1 UNL1111111111 -0.1383 22 C 4.8512 1.5101 -0.8038 C.ar 1 UNL1111111111 0.2121 23 C 5.7204 0.0639 0.9525 C.ar 1 UNL1111111111 -0.2258 24 C 5.8187 1.2114 0.1790 C.ar 1 UNL1111111111 0.1491 25 C 1.1949 -0.3826 1.3133 C.1 1 UNL1111111111 0.1218 26 H -2.9291 -0.4626 0.3513 H 1 UNL1111111111 0.1397 27 H -4.2898 -1.5197 0.7396 H 1 UNL1111111111 0.1420 28 H -3.6196 -3.1017 -1.1183 H 1 UNL1111111111 0.1458 29 H -2.2881 -2.0386 -1.5719 H 1 UNL1111111111 0.1576 30 H -5.2202 -1.1751 -1.6014 H 1 UNL1111111111 0.1481 31 H -3.8544 -0.1363 -1.9979 H 1 UNL1111111111 0.1529 32 H -1.6187 -4.0337 -0.1019 H 1 UNL1111111111 0.1655 33 H -2.5612 -3.3209 1.2446 H 1 UNL1111111111 0.1407 34 H -1.0279 -1.4836 1.3480 H 1 UNL1111111111 0.3163 35 H -7.0548 -0.3468 -0.2464 H 1 UNL1111111111 0.1499 36 H -3.4740 1.9994 -0.6798 H 1 UNL1111111111 0.1540 37 H -8.1925 1.5847 0.8078 H 1 UNL1111111111 0.1472 38 H -4.6143 3.9291 0.3805 H 1 UNL1111111111 0.1493 39 H -6.9737 3.7244 1.1242 H 1 UNL1111111111 0.1491 40 H 2.6706 -2.1546 -1.2218 H 1 UNL1111111111 0.1966 41 H 3.0317 0.8870 -1.7652 H 1 UNL1111111111 0.1856 42 H 4.5443 -1.6956 1.3571 H 1 UNL1111111111 0.1648 43 H 6.4657 -0.1643 1.7098 H 1 UNL1111111111 0.1645 44 H 5.7059 3.1694 -1.3590 H 1 UNL1111111111 0.3435 45 H 7.4905 1.8565 0.9675 H 1 UNL1111111111 0.3411 @BOND 1 1 13 2 2 2 22 1 3 2 44 1 4 3 24 1 5 3 45 1 6 4 9 1 7 4 13 am 8 4 34 1 9 5 25 3 10 6 7 1 11 6 8 1 12 6 26 1 13 6 27 1 14 7 9 1 15 7 28 1 16 7 29 1 17 8 10 1 18 8 30 1 19 8 31 1 20 9 32 1 21 9 33 1 22 10 11 ar 23 10 12 ar 24 11 14 ar 25 11 35 1 26 12 15 ar 27 12 36 1 28 13 17 1 29 14 16 ar 30 14 37 1 31 15 16 ar 32 15 38 1 33 16 39 1 34 17 19 2 35 17 25 1 36 18 19 1 37 18 20 ar 38 18 21 ar 39 19 40 1 40 20 22 ar 41 20 41 1 42 21 23 ar 43 21 42 1 44 22 24 ar 45 23 24 ar 46 23 43 1