@MOLECULE 4'-[(6-{4-[(2-carboxyphenyl)amino]phenoxy}hexyl)oxy]-4-biphenylcarboxylic acid 39 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.7221 -0.1411 -0.0760 O.3 1 UNL11 -0.2626 2 O 4.3863 -2.9102 -0.2102 O.3 1 UNL11 -0.0371 3 O 10.6388 3.8725 0.2274 O.co2 1 UNL11 -0.3972 4 O -14.4801 1.9386 0.5709 O.co2 1 UNL11 -0.4004 5 O 10.4969 2.7353 -1.7010 O.co2 1 UNL11 -0.0704 6 O -14.5829 -0.1501 -0.1885 O.co2 1 UNL11 -0.0698 7 N 8.7815 0.7533 -0.1528 N.pl3 1 UNL11 -0.2724 8 C -0.5736 -1.5927 -0.2607 C.3 1 UNL11 0.0353 9 C 0.6985 -1.8437 -0.2677 C.3 1 UNL11 0.0002 10 C -1.8057 -1.3524 -0.2456 C.3 1 UNL11 -0.2049 11 C 1.9714 -2.1257 -0.2604 C.3 1 UNL11 -0.0437 12 C -3.1930 -1.3612 -0.2490 C.3 1 UNL11 0.2961 13 C 3.1762 -2.4288 -0.2548 C.3 1 UNL11 0.0568 14 C -5.0774 -0.1026 -0.0597 C.ar 1 UNL11 0.2798 15 C 5.3716 -1.9523 -0.1739 C.ar 1 UNL11 0.1619 16 C -8.0790 0.2276 0.0181 C.ar 1 UNL11 -0.0360 17 C -6.0455 -1.0881 -0.2228 C.ar 1 UNL11 -0.0917 18 C -5.7935 1.0679 0.1463 C.ar 1 UNL11 -0.1003 19 C 6.6679 -2.2814 0.2409 C.ar 1 UNL11 -0.0469 20 C 5.4100 -0.6103 -0.5534 C.ar 1 UNL11 -0.0816 21 C -7.3353 -0.9365 -0.1887 C.ar 1 UNL11 0.0289 22 C -7.0955 1.2017 0.1789 C.ar 1 UNL11 0.0462 23 C 7.7767 -0.1259 -0.1214 C.ar 1 UNL11 0.1826 24 C -9.4935 0.3873 0.0576 C.ar 1 UNL11 0.0922 25 C 7.6945 -1.4972 0.2631 C.ar 1 UNL11 -0.0408 26 C 6.4447 0.1699 -0.5295 C.ar 1 UNL11 0.0337 27 C 10.0339 0.4516 0.2698 C.ar 1 UNL11 0.1580 28 C -10.2086 1.5627 0.2943 C.ar 1 UNL11 -0.0471 29 C -10.4687 -0.5963 -0.1296 C.ar 1 UNL11 -0.0420 30 C 11.0519 1.5060 0.1364 C.ar 1 UNL11 -0.0971 31 C -11.5067 1.7121 0.3342 C.ar 1 UNL11 0.0470 32 C -11.7660 -0.4538 -0.0925 C.ar 1 UNL11 0.0041 33 C -12.4667 0.7231 0.1472 C.ar 1 UNL11 -0.1029 34 C 10.5246 -0.7321 0.8390 C.ar 1 UNL11 -0.0573 35 C 12.3126 1.1937 0.5654 C.ar 1 UNL11 0.0187 36 C 11.7614 -0.9318 1.2290 C.ar 1 UNL11 0.0286 37 C 12.6739 0.0335 1.0958 C.ar 1 UNL11 0.0251 38 C 10.6968 2.8491 -0.4031 C.2 1 UNL11 0.5134 39 C -13.9237 0.9283 0.2096 C.2 1 UNL11 0.4935 @BOND 1 1 12 1 2 1 14 1 3 2 13 1 4 2 15 1 5 3 38 ar 6 4 39 ar 7 5 38 ar 8 6 39 ar 9 7 23 1 10 7 27 1 11 8 9 1 12 8 10 1 13 9 11 1 14 10 12 1 15 11 13 1 16 14 17 ar 17 14 18 ar 18 15 19 ar 19 15 20 ar 20 16 21 ar 21 16 22 ar 22 16 24 1 23 17 21 ar 24 18 22 ar 25 19 25 ar 26 20 26 ar 27 23 25 ar 28 23 26 ar 29 24 28 ar 30 24 29 ar 31 27 30 ar 32 27 34 ar 33 28 31 ar 34 29 32 ar 35 30 35 ar 36 30 38 1 37 31 33 ar 38 32 33 ar 39 33 39 1 40 34 36 ar 41 35 37 ar 42 36 37 ar