@MOLECULE 2-methyl-2-[4-(2-phenyl-2-propanyl)phenoxy]propanoic acid 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.9067 0.6936 0.4167 O.3 1 UNL1111111111 -0.3716 2 O 5.6254 -1.4090 -0.3079 O.3 1 UNL1111111111 -0.5803 3 O 5.5406 0.5548 0.7371 O.2 1 UNL1111111111 -0.4535 4 C -2.7034 1.2923 -0.1216 C.3 1 UNL1111111111 0.0765 5 C -1.1984 1.1230 -0.0215 C.ar 1 UNL1111111111 -0.0343 6 C -3.3858 -0.0617 -0.0261 C.ar 1 UNL1111111111 -0.0044 7 C -3.1206 2.2600 1.0032 C.3 1 UNL1111111111 -0.4532 8 C -3.1428 1.9245 -1.4573 C.3 1 UNL1111111111 -0.4543 9 C -0.6681 0.5275 1.1314 C.ar 1 UNL1111111111 -0.1395 10 C -0.3306 1.5867 -1.0117 C.ar 1 UNL1111111111 -0.1450 11 C -3.0785 -1.0421 -0.9782 C.ar 1 UNL1111111111 -0.1699 12 C -4.3386 -0.3506 0.9512 C.ar 1 UNL1111111111 -0.1760 13 C 3.4629 -0.5146 -0.1078 C.3 1 UNL1111111111 0.2520 14 C 1.5433 0.8005 0.2582 C.ar 1 UNL1111111111 0.2101 15 C 0.7025 0.3674 1.2846 C.ar 1 UNL1111111111 -0.2036 16 C 1.0473 1.4299 -0.8809 C.ar 1 UNL1111111111 -0.2101 17 C -3.7288 -2.2724 -0.9668 C.ar 1 UNL1111111111 -0.1403 18 C -4.9873 -1.5842 0.9655 C.ar 1 UNL1111111111 -0.1404 19 C 3.2552 -0.6268 -1.6115 C.3 1 UNL1111111111 -0.4939 20 C 2.9499 -1.7301 0.6568 C.3 1 UNL1111111111 -0.4922 21 C -4.6873 -2.5471 0.0075 C.ar 1 UNL1111111111 -0.1615 22 C 4.9531 -0.3281 0.1841 C.2 1 UNL1111111111 0.5982 23 H -2.8997 1.8568 1.9977 H 1 UNL1111111111 0.1502 24 H -2.5806 3.2107 0.9141 H 1 UNL1111111111 0.1566 25 H -4.1917 2.4856 0.9589 H 1 UNL1111111111 0.1493 26 H -2.8000 1.3402 -2.3172 H 1 UNL1111111111 0.1487 27 H -4.2363 1.9782 -1.5204 H 1 UNL1111111111 0.1533 28 H -2.7580 2.9459 -1.5586 H 1 UNL1111111111 0.1524 29 H -1.3428 0.1727 1.9117 H 1 UNL1111111111 0.1583 30 H -0.7157 2.0751 -1.9053 H 1 UNL1111111111 0.1566 31 H -2.3245 -0.8399 -1.7350 H 1 UNL1111111111 0.1538 32 H -4.5970 0.3819 1.7103 H 1 UNL1111111111 0.1545 33 H 1.1216 -0.0747 2.1863 H 1 UNL1111111111 0.1700 34 H 1.7273 1.8001 -1.6428 H 1 UNL1111111111 0.1669 35 H -3.4905 -3.0227 -1.7190 H 1 UNL1111111111 0.1481 36 H -5.7302 -1.7929 1.7330 H 1 UNL1111111111 0.1475 37 H 3.8241 -1.4724 -2.0285 H 1 UNL1111111111 0.1752 38 H 2.1980 -0.7854 -1.8629 H 1 UNL1111111111 0.1677 39 H 3.5858 0.2824 -2.1338 H 1 UNL1111111111 0.1656 40 H 3.0439 -1.5910 1.7379 H 1 UNL1111111111 0.1667 41 H 3.5087 -2.6346 0.3815 H 1 UNL1111111111 0.1733 42 H 1.8887 -1.9175 0.4406 H 1 UNL1111111111 0.1693 43 H -5.2008 -3.5049 0.0133 H 1 UNL1111111111 0.1485 44 H 6.5996 -1.3712 -0.1594 H 1 UNL1111111111 0.3547 @BOND 1 1 13 1 2 1 14 1 3 2 22 1 4 2 44 1 5 3 22 2 6 4 5 1 7 4 6 1 8 4 7 1 9 4 8 1 10 5 9 ar 11 5 10 ar 12 6 11 ar 13 6 12 ar 14 7 23 1 15 7 24 1 16 7 25 1 17 8 26 1 18 8 27 1 19 8 28 1 20 9 15 ar 21 9 29 1 22 10 16 ar 23 10 30 1 24 11 17 ar 25 11 31 1 26 12 18 ar 27 12 32 1 28 13 19 1 29 13 20 1 30 13 22 1 31 14 15 ar 32 14 16 ar 33 15 33 1 34 16 34 1 35 17 21 ar 36 17 35 1 37 18 21 ar 38 18 36 1 39 19 37 1 40 19 38 1 41 19 39 1 42 20 40 1 43 20 41 1 44 20 42 1 45 21 43 1