@MOLECULE [3-chloro-4-({3-[(3-phenyl-7-propyl-1-benzofuran-6-yl)oxy]propyl}sulfanyl)phenyl]acetic acid 61 64 0 0 0 SMALL GASTEIGER @ATOM 1 CL 2.7912 1.1375 -1.7653 Cl 1 UNL11 -0.0610 2 S 3.4394 3.0059 0.8128 S.3 1 UNL11 0.0179 3 O -3.1400 -1.8858 -1.0932 O.2 1 UNL11 -0.1950 4 O -0.6519 2.1423 -0.7622 O.3 1 UNL11 -0.3213 5 O 7.5583 -3.3889 -0.3968 O.3 1 UNL11 -0.5580 6 O 7.5462 -2.3782 1.5902 O.2 1 UNL11 -0.5009 7 C -1.7779 0.1511 -0.9765 C.ar 1 UNL11 -0.1474 8 C -2.9521 -0.5548 -0.7758 C.ar 1 UNL11 0.1714 9 C -0.5620 -0.4832 -1.5534 C.3 1 UNL11 -0.2447 10 C -4.1295 -0.0079 -0.2045 C.ar 1 UNL11 -0.1401 11 C -1.8287 1.4967 -0.5692 C.ar 1 UNL11 0.2536 12 C -5.0834 -1.1040 -0.1703 C.ar 1 UNL11 -0.1054 13 C 0.3022 -1.0896 -0.4330 C.3 1 UNL11 -0.2395 14 C -4.1426 1.3328 0.1563 C.ar 1 UNL11 -0.0500 15 C -2.9866 2.0844 -0.0300 C.ar 1 UNL11 -0.3165 16 C -4.4443 -2.1821 -0.7135 C.ar 1 UNL11 0.0041 17 C -6.4276 -1.0438 0.3636 C.ar 1 UNL11 0.0260 18 C -0.5376 3.4847 -0.2802 C.3 1 UNL11 -0.0493 19 C 0.9771 3.7186 -0.2608 C.3 1 UNL11 -0.2803 20 C 1.2749 -2.1210 -1.0015 C.3 1 UNL11 -0.4346 21 C 1.6063 2.8571 0.8275 C.3 1 UNL11 -0.3077 22 C -7.4876 -1.6478 -0.3209 C.ar 1 UNL11 -0.1591 23 C -6.6686 -0.3884 1.5765 C.ar 1 UNL11 -0.1551 24 C -8.7754 -1.5966 0.2062 C.ar 1 UNL11 -0.1410 25 C -7.9581 -0.3390 2.0975 C.ar 1 UNL11 -0.1432 26 C 3.9686 1.3208 0.6560 C.ar 1 UNL11 -0.1368 27 C -9.0126 -0.9430 1.4141 C.ar 1 UNL11 -0.1559 28 C 4.9627 -1.2920 0.4607 C.ar 1 UNL11 0.0373 29 C 3.7325 0.5431 -0.4709 C.ar 1 UNL11 0.0354 30 C 4.7164 0.7717 1.7000 C.ar 1 UNL11 -0.0962 31 C 4.2314 -0.7486 -0.5958 C.ar 1 UNL11 -0.1933 32 C 5.2036 -0.5286 1.6059 C.ar 1 UNL11 -0.1726 33 C 5.4565 -2.7022 0.3711 C.3 1 UNL11 -0.3583 34 C 6.9314 -2.7675 0.6342 C.2 1 UNL11 0.6544 35 H -0.8492 -1.2728 -2.2795 H 1 UNL11 0.1529 36 H 0.0313 0.2518 -2.1365 H 1 UNL11 0.1601 37 H 0.8479 -0.2857 0.0935 H 1 UNL11 0.1304 38 H -0.3453 -1.5631 0.3302 H 1 UNL11 0.1414 39 H -5.0420 1.7857 0.5702 H 1 UNL11 0.1587 40 H -2.9936 3.1351 0.2397 H 1 UNL11 0.1633 41 H -4.7039 -3.1984 -0.9034 H 1 UNL11 0.1749 42 H -0.9819 3.5822 0.7246 H 1 UNL11 0.1299 43 H -1.0567 4.1479 -0.9928 H 1 UNL11 0.1314 44 H 1.1840 4.7945 -0.1006 H 1 UNL11 0.1521 45 H 1.3951 3.4783 -1.2624 H 1 UNL11 0.1748 46 H 0.7435 -3.0117 -1.3570 H 1 UNL11 0.1429 47 H 1.8360 -1.7152 -1.8506 H 1 UNL11 0.1432 48 H 1.9937 -2.4449 -0.2415 H 1 UNL11 0.1359 49 H 1.2547 3.1626 1.8305 H 1 UNL11 0.1579 50 H 1.3001 1.7985 0.7033 H 1 UNL11 0.1765 51 H -7.3052 -2.1494 -1.2691 H 1 UNL11 0.1545 52 H -5.8417 0.0722 2.1146 H 1 UNL11 0.1584 53 H -9.5988 -2.0667 -0.3278 H 1 UNL11 0.1473 54 H -8.1428 0.1690 3.0419 H 1 UNL11 0.1475 55 H -10.0188 -0.9049 1.8241 H 1 UNL11 0.1463 56 H 4.9244 1.3532 2.6026 H 1 UNL11 0.1725 57 H 4.0562 -1.3271 -1.5040 H 1 UNL11 0.1790 58 H 5.7886 -0.9499 2.4285 H 1 UNL11 0.1842 59 H 5.2179 -3.1610 -0.6183 H 1 UNL11 0.1948 60 H 4.9262 -3.3393 1.1210 H 1 UNL11 0.1955 61 H 8.5388 -3.4578 -0.2845 H 1 UNL11 0.3569 @BOND 1 1 29 1 2 2 21 1 3 2 26 1 4 3 8 ar 5 3 16 ar 6 4 11 1 7 4 18 1 8 5 34 1 9 5 61 1 10 6 34 2 11 7 8 ar 12 7 9 1 13 7 11 ar 14 8 10 ar 15 9 13 1 16 9 35 1 17 9 36 1 18 10 12 ar 19 10 14 ar 20 11 15 ar 21 12 16 ar 22 12 17 1 23 13 20 1 24 13 37 1 25 13 38 1 26 14 15 ar 27 14 39 1 28 15 40 1 29 16 41 1 30 17 22 ar 31 17 23 ar 32 18 19 1 33 18 42 1 34 18 43 1 35 19 21 1 36 19 44 1 37 19 45 1 38 20 46 1 39 20 47 1 40 20 48 1 41 21 49 1 42 21 50 1 43 22 24 ar 44 22 51 1 45 23 25 ar 46 23 52 1 47 24 27 ar 48 24 53 1 49 25 27 ar 50 25 54 1 51 26 29 ar 52 26 30 ar 53 27 55 1 54 28 31 ar 55 28 32 ar 56 28 33 1 57 29 31 ar 58 30 32 ar 59 30 56 1 60 31 57 1 61 32 58 1 62 33 34 1 63 33 59 1 64 33 60 1