@MOLECULE 3-chloro-4-[(e)-2-(5,5-dimethyl-8-phenyl-5,6-dihydro-2-naphthalenyl)vinyl]benzoic acid 53 56 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.2846 -2.8628 -1.0570 C.ar 1 UNL111111111 -0.1559 2 C -4.1500 -4.2215 -0.7802 C.ar 1 UNL111111111 -0.1435 3 C -3.7941 -4.6429 0.4994 C.ar 1 UNL111111111 -0.1566 4 C -3.5646 -3.7036 1.5042 C.ar 1 UNL111111111 -0.1402 5 C -3.6923 -2.3444 1.2317 C.ar 1 UNL111111111 -0.1550 6 C -4.0584 -1.9222 -0.0496 C.ar 1 UNL111111111 -0.0035 7 C -4.2244 -0.4898 -0.3251 C.2 1 UNL111111111 -0.0650 8 C -3.0648 0.3918 -0.1746 C.ar 1 UNL111111111 -0.0238 9 C -1.7699 -0.1262 -0.1722 C.ar 1 UNL111111111 -0.1436 10 C -5.4179 0.0120 -0.6853 C.2 1 UNL111111111 -0.1252 11 C -5.5962 1.4704 -0.9299 C.3 1 UNL111111111 -0.3006 12 C -4.6772 2.3304 -0.0261 C.3 1 UNL111111111 0.1001 13 C -5.1782 2.2863 1.4283 C.3 1 UNL111111111 -0.4571 14 C -4.7374 3.7762 -0.5431 C.3 1 UNL111111111 -0.4658 15 C -3.2682 1.7773 -0.0385 C.ar 1 UNL111111111 0.0021 16 C -2.1627 2.6081 0.1365 C.ar 1 UNL111111111 -0.1822 17 C -0.8727 2.0861 0.1510 C.ar 1 UNL111111111 -0.1294 18 C -0.6621 0.7137 -0.0117 C.ar 1 UNL111111111 -0.0355 19 C 0.6738 0.1259 0.0005 C.2 1 UNL111111111 -0.0904 20 C 1.8067 0.8434 -0.1059 C.2 1 UNL111111111 -0.2035 21 C 3.1476 0.2777 -0.0807 C.ar 1 UNL111111111 0.0541 22 C 3.3711 -1.1008 -0.2219 C.ar 1 UNL111111111 -0.1801 23 C 4.6597 -1.6228 -0.2244 C.ar 1 UNL111111111 -0.0758 24 C 5.7601 -0.7718 -0.0913 C.ar 1 UNL111111111 -0.1470 25 C 7.1062 -1.3608 -0.1267 C.2 1 UNL111111111 0.6436 26 O 8.0729 -0.4116 -0.0014 O.3 1 UNL111111111 -0.5562 27 O 7.4043 -2.5209 -0.2510 O.2 1 UNL111111111 -0.4970 28 C 5.5724 0.6022 0.0642 C.ar 1 UNL111111111 -0.0851 29 C 4.2760 1.0948 0.0689 C.ar 1 UNL111111111 -0.0371 30 CL 4.0987 2.7840 0.2744 Cl 1 UNL111111111 -0.0734 31 H -4.5629 -2.5311 -2.0554 H 1 UNL111111111 0.1561 32 H -4.3271 -4.9546 -1.5646 H 1 UNL111111111 0.1477 33 H -3.6953 -5.7042 0.7145 H 1 UNL111111111 0.1468 34 H -3.2866 -4.0329 2.5033 H 1 UNL111111111 0.1490 35 H -3.5115 -1.6070 2.0122 H 1 UNL111111111 0.1589 36 H -1.6222 -1.2001 -0.2988 H 1 UNL111111111 0.1643 37 H -6.2960 -0.6139 -0.8191 H 1 UNL111111111 0.1527 38 H -5.3731 1.6863 -1.9985 H 1 UNL111111111 0.1610 39 H -6.6503 1.7736 -0.7773 H 1 UNL111111111 0.1517 40 H -5.2228 1.2543 1.7983 H 1 UNL111111111 0.1571 41 H -4.5126 2.8447 2.0952 H 1 UNL111111111 0.1488 42 H -6.1807 2.7149 1.5198 H 1 UNL111111111 0.1469 43 H -5.7739 4.1096 -0.6663 H 1 UNL111111111 0.1487 44 H -4.2607 4.4767 0.1515 H 1 UNL111111111 0.1493 45 H -4.2385 3.8762 -1.5137 H 1 UNL111111111 0.1512 46 H -2.2991 3.6804 0.2680 H 1 UNL111111111 0.1562 47 H -0.0280 2.7591 0.2975 H 1 UNL111111111 0.1566 48 H 0.6978 -0.9632 0.1074 H 1 UNL111111111 0.1541 49 H 1.7505 1.9303 -0.2247 H 1 UNL111111111 0.1718 50 H 2.5216 -1.7769 -0.3393 H 1 UNL111111111 0.1694 51 H 4.8198 -2.7005 -0.3372 H 1 UNL111111111 0.1787 52 H 8.9893 -0.7853 -0.0253 H 1 UNL111111111 0.3583 53 H 6.4353 1.2683 0.1750 H 1 UNL111111111 0.1931 @BOND 1 1 2 ar 2 1 31 1 3 2 3 ar 4 2 32 1 5 3 33 1 6 4 3 ar 7 4 34 1 8 5 4 ar 9 5 35 1 10 6 1 ar 11 6 5 ar 12 7 8 1 13 7 6 1 14 8 9 ar 15 9 18 ar 16 9 36 1 17 10 7 2 18 10 37 1 19 11 10 1 20 11 38 1 21 11 39 1 22 12 11 1 23 12 15 1 24 13 12 1 25 13 40 1 26 13 41 1 27 13 42 1 28 14 12 1 29 14 43 1 30 14 44 1 31 14 45 1 32 15 16 ar 33 15 8 ar 34 16 17 ar 35 16 46 1 36 17 18 ar 37 17 47 1 38 18 19 1 39 19 20 2 40 19 48 1 41 20 21 1 42 20 49 1 43 21 22 ar 44 21 29 ar 45 22 23 ar 46 22 50 1 47 23 24 ar 48 23 51 1 49 24 25 1 50 25 27 2 51 25 26 1 52 26 52 1 53 28 24 ar 54 28 53 1 55 29 28 ar 56 30 29 1