@MOLECULE {[5-(3-{[1-(benzylsulfonyl)-4-piperidinyl]amino}phenyl)-4-bromo-2-(2h-tetrazol-5-yl)-3-thienyl]oxy}acetic acid 64 68 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.4269 1.7449 -0.4638 S.2 1 UNL1111111111 0.3560 2 C -5.0435 0.1004 -0.6228 C.ar 1 UNL1111111111 -0.3492 3 C -4.1194 -0.7937 -0.1348 C.ar 1 UNL1111111111 0.2833 4 C -2.9148 -0.1551 0.3469 C.ar 1 UNL1111111111 -0.1510 5 C -2.9327 1.2039 0.2462 C.ar 1 UNL1111111111 -0.0882 6 C -6.3487 -0.0427 -1.1653 C.ar 1 UNL1111111111 0.2243 7 N -7.3365 0.9010 -1.1098 N.ar 1 UNL1111111111 -0.2580 8 N -6.8581 -1.1513 -1.8835 N.ar 1 UNL1111111111 -0.2761 9 C -1.9071 2.1491 0.6510 C.ar 1 UNL1111111111 0.0665 10 C -0.6757 2.1319 -0.0018 C.ar 1 UNL1111111111 -0.2637 11 C 0.3312 3.0270 0.3965 C.ar 1 UNL1111111111 0.2377 12 C 0.0774 3.9389 1.4432 C.ar 1 UNL1111111111 -0.2872 13 C -1.1581 3.9402 2.0752 C.ar 1 UNL1111111111 -0.0662 14 C -2.1565 3.0461 1.6921 C.ar 1 UNL1111111111 -0.2232 15 BR -1.5110 -1.1577 1.0649 Br 1 UNL1111111111 0.0162 16 O -4.0544 -2.1300 -0.0148 O.3 1 UNL1111111111 -0.2495 17 C -5.1874 -2.9434 -0.2372 C.3 1 UNL1111111111 -0.1328 18 C -6.2666 -2.6648 0.7718 C.2 1 UNL1111111111 0.6061 19 O -7.0892 -3.7405 0.8612 O.3 1 UNL1111111111 -0.5520 20 O -6.4484 -1.6770 1.4284 O.2 1 UNL1111111111 -0.4799 21 N 1.5602 3.1005 -0.2684 N.pl3 1 UNL1111111111 -0.5526 22 C 2.0994 1.8966 -0.9359 C.3 1 UNL1111111111 0.0928 23 C 3.4106 2.2809 -1.6500 C.3 1 UNL1111111111 -0.3450 24 C 4.5782 2.4773 -0.6655 C.3 1 UNL1111111111 -0.0716 25 N 4.7788 1.3396 0.2497 N.3 1 UNL1111111111 -0.7339 26 C 3.5358 1.0105 0.9724 C.3 1 UNL1111111111 -0.0657 27 C 2.3428 0.7316 0.0446 C.3 1 UNL1111111111 -0.3715 28 S 5.6636 -0.0297 -0.4165 S.O2 1 UNL1111111111 2.3061 29 O 6.0849 0.3491 -1.7449 O.2 1 UNL1111111111 -0.9055 30 O 4.8743 -1.2139 -0.1803 O.2 1 UNL1111111111 -0.8980 31 C 7.0912 -0.0422 0.6725 C.3 1 UNL1111111111 -0.5754 32 C 8.0774 -1.0701 0.2331 C.ar 1 UNL1111111111 0.0036 33 C 8.9824 -0.7804 -0.7920 C.ar 1 UNL1111111111 -0.1481 34 C 9.9140 -1.7359 -1.1896 C.ar 1 UNL1111111111 -0.1443 35 C 9.9466 -2.9835 -0.5684 C.ar 1 UNL1111111111 -0.1514 36 C 9.0401 -3.2763 0.4487 C.ar 1 UNL1111111111 -0.1462 37 C 8.1064 -2.3234 0.8499 C.ar 1 UNL1111111111 -0.1508 38 N -8.0767 -0.8904 -2.2229 N.ar 1 UNL1111111111 -0.0177 39 N -8.3770 0.3482 -1.7704 N.ar 1 UNL1111111111 -0.1183 40 H -0.5057 1.4351 -0.8185 H 1 UNL1111111111 0.1726 41 H 0.8462 4.6397 1.7517 H 1 UNL1111111111 0.1530 42 H -1.3476 4.6447 2.8854 H 1 UNL1111111111 0.1470 43 H -3.1128 3.0425 2.2099 H 1 UNL1111111111 0.1678 44 H -5.5596 -2.8585 -1.2826 H 1 UNL1111111111 0.2068 45 H -4.7477 -3.9606 -0.1053 H 1 UNL1111111111 0.1971 46 H -7.8449 -3.6084 1.4866 H 1 UNL1111111111 0.3583 47 H 2.2733 3.6523 0.1974 H 1 UNL1111111111 0.2868 48 H 1.3494 1.5766 -1.7094 H 1 UNL1111111111 0.1453 49 H 3.2625 3.2013 -2.2464 H 1 UNL1111111111 0.1571 50 H 3.6695 1.4935 -2.3884 H 1 UNL1111111111 0.1742 51 H 5.5167 2.6749 -1.2368 H 1 UNL1111111111 0.1574 52 H 4.4103 3.3830 -0.0390 H 1 UNL1111111111 0.1294 53 H 3.3032 1.8659 1.6480 H 1 UNL1111111111 0.1334 54 H 3.7069 0.1327 1.6379 H 1 UNL1111111111 0.1524 55 H 2.5128 -0.2078 -0.5232 H 1 UNL1111111111 0.1818 56 H 1.4352 0.5404 0.6486 H 1 UNL1111111111 0.1612 57 H 7.5556 0.9675 0.6953 H 1 UNL1111111111 0.1904 58 H 6.7630 -0.2178 1.7191 H 1 UNL1111111111 0.1884 59 H 8.9480 0.1854 -1.2971 H 1 UNL1111111111 0.1632 60 H 10.6147 -1.5089 -1.9907 H 1 UNL1111111111 0.1486 61 H 10.6750 -3.7288 -0.8806 H 1 UNL1111111111 0.1488 62 H 9.0575 -4.2531 0.9278 H 1 UNL1111111111 0.1482 63 H 7.3923 -2.5653 1.6358 H 1 UNL1111111111 0.1567 64 H -9.2598 0.8192 -1.8768 H 1 UNL1111111111 0.3546 @BOND 1 1 5 ar 2 1 2 ar 3 2 6 1 4 2 3 ar 5 3 4 ar 6 3 16 1 7 4 5 ar 8 4 15 1 9 5 9 1 10 6 7 ar 11 6 8 ar 12 7 39 ar 13 8 38 ar 14 9 14 ar 15 9 10 ar 16 10 11 ar 17 10 40 1 18 11 12 ar 19 11 21 1 20 12 13 ar 21 12 41 1 22 13 14 ar 23 13 42 1 24 14 43 1 25 16 17 1 26 17 18 1 27 17 44 1 28 17 45 1 29 18 20 2 30 18 19 1 31 19 46 1 32 21 22 1 33 21 47 1 34 22 27 1 35 22 23 1 36 22 48 1 37 23 24 1 38 23 49 1 39 23 50 1 40 24 25 1 41 24 51 1 42 24 52 1 43 25 26 1 44 25 28 1 45 26 27 1 46 26 53 1 47 26 54 1 48 27 55 1 49 27 56 1 50 28 31 1 51 28 30 2 52 28 29 2 53 31 32 1 54 31 57 1 55 31 58 1 56 32 37 ar 57 32 33 ar 58 33 34 ar 59 33 59 1 60 34 35 ar 61 34 60 1 62 35 36 ar 63 35 61 1 64 36 37 ar 65 36 62 1 66 37 63 1 67 38 39 ar 68 39 64 1