@MOLECULE 3-(dimethylamino)-5-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)vinyl]benzoic acid 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 C -5.6019 2.3513 -0.0518 C.3 1 UNL111111111 -0.4418 2 C -4.7207 1.1508 -0.0719 C.ar 1 UNL111111111 -0.0963 3 C -3.3383 1.2784 -0.1983 C.ar 1 UNL111111111 -0.1408 4 C -5.2584 -0.1369 0.0305 C.ar 1 UNL111111111 0.2112 5 O -6.5927 -0.3755 0.1559 O.3 1 UNL111111111 -0.4681 6 C -4.4556 -1.2889 0.0076 C.ar 1 UNL111111111 -0.0339 7 C -5.0881 -2.6309 0.1028 C.3 1 UNL111111111 -0.4296 8 C -3.0796 -1.1290 -0.1129 C.ar 1 UNL111111111 -0.1500 9 C -2.5163 0.1485 -0.2116 C.ar 1 UNL111111111 -0.0510 10 C -1.0712 0.3215 -0.3359 C.2 1 UNL111111111 -0.1221 11 C -0.1822 -0.4135 0.3474 C.2 1 UNL111111111 -0.1761 12 C 1.2623 -0.2262 0.2091 C.ar 1 UNL111111111 0.0470 13 C 2.0862 -1.3447 0.0928 C.ar 1 UNL111111111 -0.2539 14 C 1.8103 1.0597 0.1999 C.ar 1 UNL111111111 -0.1688 15 C 3.1877 1.2019 0.0632 C.ar 1 UNL111111111 -0.0716 16 C 3.8155 2.5355 0.0503 C.2 1 UNL111111111 0.6407 17 O 2.8874 3.5308 0.0138 O.3 1 UNL111111111 -0.5543 18 O 4.9896 2.8071 0.0647 O.2 1 UNL111111111 -0.5057 19 C 4.0251 0.0975 -0.0629 C.ar 1 UNL111111111 -0.2235 20 C 3.4795 -1.2020 -0.0607 C.ar 1 UNL111111111 0.2081 21 N 4.2929 -2.3154 -0.3369 N.pl3 1 UNL111111111 -0.3765 22 C 5.7262 -2.1742 -0.0249 C.3 1 UNL111111111 -0.2573 23 C 3.7599 -3.6335 0.0474 C.3 1 UNL111111111 -0.2592 24 H -6.3223 2.3398 -0.8839 H 1 UNL111111111 0.1554 25 H -6.1623 2.4303 0.8918 H 1 UNL111111111 0.1549 26 H -5.0313 3.2870 -0.1508 H 1 UNL111111111 0.1637 27 H -2.8933 2.2693 -0.2802 H 1 UNL111111111 0.1587 28 H -7.1179 0.4597 0.1881 H 1 UNL111111111 0.3236 29 H -5.6407 -2.8697 -0.8205 H 1 UNL111111111 0.1640 30 H -4.3618 -3.4346 0.2739 H 1 UNL111111111 0.1491 31 H -5.8254 -2.6681 0.9218 H 1 UNL111111111 0.1671 32 H -2.4336 -2.0056 -0.1397 H 1 UNL111111111 0.1602 33 H -0.7513 1.1052 -1.0288 H 1 UNL111111111 0.1612 34 H -0.4908 -1.1943 1.0440 H 1 UNL111111111 0.1600 35 H 1.6303 -2.3311 0.1063 H 1 UNL111111111 0.1626 36 H 1.1681 1.9344 0.3055 H 1 UNL111111111 0.1814 37 H 3.2891 4.4340 0.0045 H 1 UNL111111111 0.3528 38 H 5.0980 0.2581 -0.1701 H 1 UNL111111111 0.1805 39 H 5.9216 -1.8818 1.0195 H 1 UNL111111111 0.1361 40 H 6.2553 -3.1202 -0.2258 H 1 UNL111111111 0.1471 41 H 6.1711 -1.4174 -0.6983 H 1 UNL111111111 0.1593 42 H 2.8572 -3.8509 -0.5531 H 1 UNL111111111 0.1536 43 H 4.4914 -4.4227 -0.1948 H 1 UNL111111111 0.1492 44 H 3.5066 -3.7108 1.1168 H 1 UNL111111111 0.1331 @BOND 1 1 2 1 2 1 24 1 3 1 25 1 4 1 26 1 5 2 3 ar 6 3 9 ar 7 3 27 1 8 4 6 ar 9 4 2 ar 10 5 4 1 11 5 28 1 12 6 8 ar 13 7 6 1 14 7 29 1 15 7 30 1 16 7 31 1 17 8 9 ar 18 8 32 1 19 9 10 1 20 10 11 2 21 10 33 1 22 11 12 1 23 11 34 1 24 12 14 ar 25 12 13 ar 26 13 20 ar 27 13 35 1 28 14 15 ar 29 14 36 1 30 15 16 1 31 15 19 ar 32 16 17 1 33 17 37 1 34 18 16 2 35 19 38 1 36 20 19 ar 37 20 21 1 38 21 23 1 39 22 21 1 40 22 39 1 41 22 40 1 42 22 41 1 43 23 42 1 44 23 43 1 45 23 44 1