@MOLECULE 3-{2-fluoro-4-[({4'-[(4-hydroxy-1,1-dioxidotetrahydro-2h-thiopyran-4-yl)methoxy]-2',6'-dimethyl-3-biphenylyl}methyl)amino]phenyl}propanoic acid 73 76 0 0 0 SMALL GASTEIGER @ATOM 1 S -7.5981 -3.5225 -0.0124 S.O2 1 UNL1111111111111 2.2071 2 F 7.3067 -1.0061 -2.2243 F 1 UNL1111111111111 -0.1761 3 O -7.5489 -0.0151 -0.6506 O.3 1 UNL1111111111111 -0.5657 4 O -4.9779 1.0215 -0.3998 O.3 1 UNL1111111111111 -0.3736 5 O -6.7251 -4.2313 0.9021 O.2 1 UNL1111111111111 -0.9186 6 O -8.6237 -4.2405 -0.7413 O.2 1 UNL1111111111111 -0.9137 7 O 8.9537 -5.3960 0.1811 O.3 1 UNL1111111111111 -0.5711 8 O 10.3439 -3.8384 0.9535 O.2 1 UNL1111111111111 -0.5130 9 N 3.9607 1.6008 -0.1559 N.pl3 1 UNL1111111111111 -0.5233 10 C -6.5817 -0.5640 0.2173 C.3 1 UNL1111111111111 0.2846 11 C -7.3891 -1.1685 1.3825 C.3 1 UNL1111111111111 -0.2887 12 C -5.7250 -1.5975 -0.5369 C.3 1 UNL1111111111111 -0.3146 13 C -8.3998 -2.2005 0.8984 C.3 1 UNL1111111111111 -0.5709 14 C -6.5766 -2.6634 -1.2114 C.3 1 UNL1111111111111 -0.5721 15 C -5.6887 0.5822 0.7555 C.3 1 UNL1111111111111 -0.1186 16 C -3.7911 1.6571 -0.2038 C.ar 1 UNL1111111111111 0.2878 17 C -3.4011 2.2601 0.9885 C.ar 1 UNL1111111111111 -0.3490 18 C -2.9877 1.6736 -1.3502 C.ar 1 UNL1111111111111 -0.3112 19 C -2.1503 2.8808 1.0417 C.ar 1 UNL1111111111111 0.1393 20 C -1.7423 2.2901 -1.2838 C.ar 1 UNL1111111111111 0.1395 21 C -1.3179 2.8827 -0.0836 C.ar 1 UNL1111111111111 -0.1867 22 C 0.0149 3.4927 -0.0033 C.ar 1 UNL1111111111111 0.0340 23 C -1.7051 3.5363 2.3040 C.3 1 UNL1111111111111 -0.4633 24 C -0.8567 2.3018 -2.4820 C.3 1 UNL1111111111111 -0.4596 25 C 1.0992 2.7222 0.4209 C.ar 1 UNL1111111111111 -0.1642 26 C 0.2001 4.8346 -0.3449 C.ar 1 UNL1111111111111 -0.1636 27 C 2.3656 3.2979 0.5084 C.ar 1 UNL1111111111111 -0.0389 28 C 3.5286 2.4570 0.9634 C.3 1 UNL1111111111111 -0.0851 29 C 1.4690 5.4020 -0.2600 C.ar 1 UNL1111111111111 -0.1379 30 C 2.5531 4.6371 0.1666 C.ar 1 UNL1111111111111 -0.1682 31 C 5.1236 0.8535 -0.0467 C.ar 1 UNL1111111111111 0.2893 32 C 7.3888 -0.8360 0.1115 C.ar 1 UNL1111111111111 -0.1710 33 C 8.5760 -1.7349 0.2050 C.3 1 UNL1111111111111 -0.2345 34 C 5.6830 0.3173 -1.2271 C.ar 1 UNL1111111111111 -0.3779 35 C 5.7104 0.5485 1.1987 C.ar 1 UNL1111111111111 -0.3256 36 C 6.7916 -0.5083 -1.1100 C.ar 1 UNL1111111111111 0.2681 37 C 6.8187 -0.2851 1.2619 C.ar 1 UNL1111111111111 -0.0425 38 C 8.1389 -3.2038 0.1188 C.3 1 UNL1111111111111 -0.3403 39 C 9.2748 -4.1052 0.4717 C.2 1 UNL1111111111111 0.6482 40 H -7.9307 -0.3532 1.9083 H 1 UNL1111111111111 0.1565 41 H -6.6991 -1.6084 2.1329 H 1 UNL1111111111111 0.1614 42 H -5.1085 -1.0794 -1.3042 H 1 UNL1111111111111 0.1670 43 H -4.9849 -2.0529 0.1548 H 1 UNL1111111111111 0.1666 44 H -9.1644 -1.7127 0.2560 H 1 UNL1111111111111 0.1931 45 H -8.9661 -2.6190 1.7520 H 1 UNL1111111111111 0.1769 46 H -5.9354 -3.3860 -1.7521 H 1 UNL1111111111111 0.1789 47 H -7.2215 -2.2090 -1.9916 H 1 UNL1111111111111 0.1854 48 H -5.0027 0.2303 1.5425 H 1 UNL1111111111111 0.1422 49 H -6.2916 1.4311 1.1216 H 1 UNL1111111111111 0.1455 50 H -7.1194 0.5221 -1.3498 H 1 UNL1111111111111 0.3343 51 H -4.0472 2.2672 1.8577 H 1 UNL1111111111111 0.1679 52 H -3.3390 1.2046 -2.2637 H 1 UNL1111111111111 0.1745 53 H -2.4546 3.4850 3.1039 H 1 UNL1111111111111 0.1574 54 H -1.4763 4.6015 2.1392 H 1 UNL1111111111111 0.1694 55 H -0.7829 3.0726 2.6886 H 1 UNL1111111111111 0.1690 56 H -1.3396 1.8833 -3.3751 H 1 UNL1111111111111 0.1612 57 H 0.0589 1.7163 -2.2999 H 1 UNL1111111111111 0.1701 58 H -0.5355 3.3245 -2.7345 H 1 UNL1111111111111 0.1679 59 H 0.9528 1.6726 0.6761 H 1 UNL1111111111111 0.1691 60 H -0.6496 5.4298 -0.6753 H 1 UNL1111111111111 0.1610 61 H 4.3668 3.0927 1.3346 H 1 UNL1111111111111 0.1414 62 H 3.2255 1.8007 1.8167 H 1 UNL1111111111111 0.1579 63 H 3.5417 5.0871 0.2309 H 1 UNL1111111111111 0.1546 64 H 1.6145 6.4474 -0.5281 H 1 UNL1111111111111 0.1536 65 H 3.7003 1.9377 -1.0743 H 1 UNL1111111111111 0.3061 66 H 9.3201 -1.5090 -0.5888 H 1 UNL1111111111111 0.1636 67 H 9.1323 -1.5606 1.1535 H 1 UNL1111111111111 0.1645 68 H 5.2509 0.5413 -2.1970 H 1 UNL1111111111111 0.1786 69 H 5.2949 0.9532 2.1147 H 1 UNL1111111111111 0.1619 70 H 7.2564 -0.5153 2.2358 H 1 UNL1111111111111 0.1538 71 H 7.2799 -3.3984 0.7990 H 1 UNL1111111111111 0.1852 72 H 7.7523 -3.4454 -0.8965 H 1 UNL1111111111111 0.1902 73 H 9.6685 -6.0420 0.3968 H 1 UNL1111111111111 0.3546 @BOND 1 1 5 2 2 1 6 2 3 1 13 1 4 1 14 1 5 2 36 1 6 3 10 1 7 3 50 1 8 4 15 1 9 4 16 1 10 7 39 1 11 7 73 1 12 8 39 2 13 9 28 1 14 9 31 1 15 9 65 1 16 10 11 1 17 10 12 1 18 10 15 1 19 11 13 1 20 11 40 1 21 11 41 1 22 12 14 1 23 12 42 1 24 12 43 1 25 13 44 1 26 13 45 1 27 14 46 1 28 14 47 1 29 15 48 1 30 15 49 1 31 16 17 ar 32 16 18 ar 33 17 19 ar 34 17 51 1 35 18 20 ar 36 18 52 1 37 19 21 ar 38 19 23 1 39 20 21 ar 40 20 24 1 41 21 22 1 42 22 25 ar 43 22 26 ar 44 23 53 1 45 23 54 1 46 23 55 1 47 24 56 1 48 24 57 1 49 24 58 1 50 25 27 ar 51 25 59 1 52 26 29 ar 53 26 60 1 54 27 28 1 55 27 30 ar 56 28 61 1 57 28 62 1 58 29 30 ar 59 29 64 1 60 30 63 1 61 31 34 ar 62 31 35 ar 63 32 33 1 64 32 36 ar 65 32 37 ar 66 33 38 1 67 33 66 1 68 33 67 1 69 34 36 ar 70 34 68 1 71 35 37 ar 72 35 69 1 73 37 70 1 74 38 39 1 75 38 71 1 76 38 72 1