@MOLECULE 1-[1-(4-methylphenyl)-3-(2-methyl-2-propanyl)-1h-pyrazol-5-yl]-3-{4-[2-(3-pyridinylmethoxy)ethyl]-1,3-thiazol-2-yl}urea 65 68 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.6869 6.1951 -0.4861 C.3 1 UNL1111111111 -0.4563 2 C 8.1550 -1.8559 0.8916 C.3 1 UNL1111111111 -0.4537 3 C 6.7663 -3.3491 -0.5764 C.3 1 UNL1111111111 -0.4572 4 C 6.4089 -3.3349 1.9211 C.3 1 UNL1111111111 -0.4580 5 O 1.6557 -1.9890 -0.4727 O.2 1 UNL1111111111 -0.4635 6 C -10.7679 0.7408 1.4214 C.ar 1 UNL1111111111 -0.2354 7 C -10.9546 1.1629 0.0992 C.ar 1 UNL1111111111 0.0440 8 C -9.4789 0.4206 1.8436 C.ar 1 UNL1111111111 -0.1100 9 C 5.5948 4.1401 0.6150 C.ar 1 UNL1111111111 -0.1634 10 C 3.9071 3.8966 -1.0998 C.ar 1 UNL1111111111 -0.1588 11 C 5.6420 2.7607 0.7778 C.ar 1 UNL1111111111 -0.1406 12 C 3.9499 2.5144 -0.9577 C.ar 1 UNL1111111111 -0.1978 13 C -8.6964 0.9648 -0.3674 C.ar 1 UNL1111111111 0.0640 14 C -2.6782 -2.6096 -1.3623 C.ar 1 UNL1111111111 -0.4282 15 C 4.3013 -1.6191 0.4876 C.ar 1 UNL1111111111 -0.3126 16 C -5.0016 -0.4937 0.3202 C.3 1 UNL1111111111 -0.0204 17 C -4.5408 -0.8829 -1.0929 C.3 1 UNL1111111111 -0.2898 18 C -7.0189 0.2100 1.3443 C.3 1 UNL1111111111 -0.0410 19 N -9.9383 1.2724 -0.7778 N.ar 1 UNL1111111111 -0.3714 20 N -2.1523 -0.4456 -0.6475 N.ar 1 UNL1111111111 -0.4916 21 N 6.0155 -0.1110 0.3479 N.ar 1 UNL1111111111 -0.2560 22 N 2.4301 0.0791 0.1832 N.am 1 UNL1111111111 -0.5671 23 N 0.1608 -0.2507 -0.3040 N.am 1 UNL1111111111 -0.5521 24 O -6.3859 -0.2185 0.1453 O.3 1 UNL1111111111 -0.4026 25 S -0.9541 -2.7162 -1.1690 S.2 1 UNL1111111111 0.2810 26 C 1.4437 -0.8273 -0.2185 C.2 1 UNL1111111111 0.7149 27 C 4.7231 4.7158 -0.3146 C.ar 1 UNL1111111111 0.0423 28 C -8.4224 0.5346 0.9424 C.ar 1 UNL1111111111 -0.1101 29 C -3.1341 -1.3568 -1.0497 C.ar 1 UNL1111111111 0.1838 30 C 4.8052 1.9521 -0.0014 C.ar 1 UNL1111111111 0.1473 31 C 3.7565 -0.3545 0.2715 C.ar 1 UNL1111111111 0.2530 32 C 5.7201 -1.4202 0.5216 C.ar 1 UNL1111111111 0.0749 33 C -0.9466 -1.0043 -0.6568 C.ar 1 UNL1111111111 0.2510 34 N 4.8305 0.5429 0.1589 N.ar 1 UNL1111111111 -0.1770 35 C 6.7666 -2.4805 0.6935 C.3 1 UNL1111111111 0.1368 36 H 5.4740 6.5258 -1.1829 H 1 UNL1111111111 0.1659 37 H 3.7302 6.5512 -0.8917 H 1 UNL1111111111 0.1571 38 H 4.8499 6.7296 0.4602 H 1 UNL1111111111 0.1585 39 H 8.4265 -1.2162 0.0414 H 1 UNL1111111111 0.1600 40 H 8.1808 -1.2197 1.7837 H 1 UNL1111111111 0.1519 41 H 8.9269 -2.6225 0.9974 H 1 UNL1111111111 0.1417 42 H 7.0200 -2.7527 -1.4608 H 1 UNL1111111111 0.1533 43 H 7.4950 -4.1614 -0.5001 H 1 UNL1111111111 0.1471 44 H 5.7813 -3.7954 -0.7554 H 1 UNL1111111111 0.1526 45 H 7.1675 -4.1031 2.1008 H 1 UNL1111111111 0.1476 46 H 6.3373 -2.7182 2.8240 H 1 UNL1111111111 0.1497 47 H 5.4462 -3.8417 1.7921 H 1 UNL1111111111 0.1505 48 H -11.6114 0.6635 2.0999 H 1 UNL1111111111 0.1638 49 H -11.9447 1.4267 -0.2884 H 1 UNL1111111111 0.1696 50 H -9.3042 0.0834 2.8641 H 1 UNL1111111111 0.1559 51 H 6.2451 4.7752 1.2155 H 1 UNL1111111111 0.1606 52 H 3.2427 4.3408 -1.8400 H 1 UNL1111111111 0.1602 53 H 6.3292 2.3028 1.4926 H 1 UNL1111111111 0.1834 54 H 3.3519 1.8780 -1.6094 H 1 UNL1111111111 0.1711 55 H -7.8995 1.0630 -1.1178 H 1 UNL1111111111 0.1905 56 H -3.2659 -3.4473 -1.6856 H 1 UNL1111111111 0.1930 57 H 3.7776 -2.5452 0.5918 H 1 UNL1111111111 0.2019 58 H -4.8751 -1.3216 1.0383 H 1 UNL1111111111 0.1204 59 H -4.4754 0.4061 0.6861 H 1 UNL1111111111 0.1337 60 H -5.2217 -1.6542 -1.5115 H 1 UNL1111111111 0.1716 61 H -4.6356 -0.0036 -1.7703 H 1 UNL1111111111 0.1797 62 H -6.9698 -0.6054 2.0912 H 1 UNL1111111111 0.1307 63 H -6.4988 1.1044 1.7437 H 1 UNL1111111111 0.1341 64 H 2.2305 1.0511 0.3852 H 1 UNL1111111111 0.3290 65 H -0.0158 0.7198 -0.0457 H 1 UNL1111111111 0.3368 @BOND 1 1 27 1 2 1 36 1 3 1 37 1 4 1 38 1 5 2 39 1 6 2 40 1 7 2 41 1 8 3 35 1 9 3 42 1 10 3 43 1 11 3 44 1 12 4 45 1 13 4 46 1 14 4 47 1 15 6 7 ar 16 6 48 1 17 7 19 ar 18 7 49 1 19 8 6 ar 20 8 28 ar 21 8 50 1 22 9 11 ar 23 9 51 1 24 10 12 ar 25 10 52 1 26 11 30 ar 27 11 53 1 28 12 30 ar 29 12 54 1 30 13 19 ar 31 13 55 1 32 14 56 1 33 15 57 1 34 16 17 1 35 16 24 1 36 16 58 1 37 16 59 1 38 17 60 1 39 17 61 1 40 18 28 1 41 18 62 1 42 18 63 1 43 20 29 ar 44 21 32 ar 45 22 26 am 46 22 64 1 47 23 26 am 48 23 33 1 49 23 65 1 50 24 18 1 51 25 14 ar 52 26 5 2 53 27 9 ar 54 27 10 ar 55 28 13 ar 56 29 14 ar 57 29 17 1 58 30 34 1 59 31 15 ar 60 31 22 1 61 32 15 ar 62 32 35 1 63 33 20 ar 64 33 25 ar 65 34 21 ar 66 34 31 ar 67 35 2 1 68 35 4 1