@MOLECULE 1-{1-[2-(1,1-dioxido-4-thiomorpholinyl)-2-oxoethyl]-3-(2-methyl-2-propanyl)-1h-pyrazol-5-yl}-3-(2-naphthyl)urea 63 66 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.0921 -2.9876 -0.0301 C.ar 1 UNL1111111111 -0.3310 2 C 1.0933 -3.7731 0.1626 C.ar 1 UNL1111111111 0.0925 3 N 1.6273 -1.7135 0.6379 N.ar 1 UNL1111111111 -0.2008 4 N 2.1267 -2.9824 0.5334 N.ar 1 UNL1111111111 -0.2923 5 C 1.2319 -5.2563 -0.0141 C.3 1 UNL1111111111 0.1320 6 C 0.2793 -1.6725 0.2430 C.ar 1 UNL1111111111 0.2911 7 C 2.5431 -0.6297 0.9115 C.3 1 UNL1111111111 -0.1410 8 C 2.7858 0.2250 -0.3371 C.2 1 UNL1111111111 0.5640 9 N 4.0821 0.4983 -0.7435 N.am 1 UNL1111111111 -0.4793 10 O 1.8497 0.6573 -0.9863 O.2 1 UNL1111111111 -0.5597 11 C -1.7998 -0.4078 0.1963 C.2 1 UNL1111111111 0.7288 12 N -2.2887 0.9031 0.2294 N.am 1 UNL1111111111 -0.5749 13 O -2.4835 -1.4023 0.1682 O.2 1 UNL1111111111 -0.4877 14 C -3.6690 1.2147 0.2437 C.ar 1 UNL1111111111 0.2298 15 C -4.0217 2.5087 0.7422 C.ar 1 UNL1111111111 -0.2324 16 C -5.3315 2.9038 0.7428 C.ar 1 UNL1111111111 -0.1045 17 C -6.3531 2.0469 0.2468 C.ar 1 UNL1111111111 -0.0530 18 C -5.9982 0.7686 -0.2372 C.ar 1 UNL1111111111 0.0401 19 C -4.6388 0.3603 -0.2315 C.ar 1 UNL1111111111 -0.2349 20 N -0.3832 -0.4414 0.2374 N.am 1 UNL1111111111 -0.5985 21 C 0.8187 -5.6134 -1.4518 C.3 1 UNL1111111111 -0.4552 22 C 2.6818 -5.7033 0.2288 C.3 1 UNL1111111111 -0.4550 23 C 0.3015 -5.9554 0.9907 C.3 1 UNL1111111111 -0.4558 24 C -7.7155 2.4512 0.2211 C.ar 1 UNL1111111111 -0.1371 25 C -8.6788 1.6092 -0.2729 C.ar 1 UNL1111111111 -0.1628 26 C -8.3245 0.3239 -0.7555 C.ar 1 UNL1111111111 -0.1323 27 C -7.0179 -0.0900 -0.7362 C.ar 1 UNL1111111111 -0.1622 28 C 4.2412 1.4736 -1.8377 C.3 1 UNL1111111111 -0.0508 29 C 4.0724 2.9086 -1.3337 C.3 1 UNL1111111111 -0.6275 30 S 5.0329 3.2718 0.1406 S.O2 1 UNL1111111111 2.2091 31 C 5.1910 1.7372 1.0875 C.3 1 UNL1111111111 -0.6350 32 C 5.2029 0.4895 0.2038 C.3 1 UNL1111111111 -0.0594 33 O 4.2292 4.1561 0.9545 O.2 1 UNL1111111111 -0.9061 34 O 6.3643 3.6406 -0.2819 O.2 1 UNL1111111111 -0.9048 35 H -1.0613 -3.3408 -0.3120 H 1 UNL1111111111 0.2047 36 H 2.1081 0.0296 1.7088 H 1 UNL1111111111 0.1836 37 H 3.4904 -1.0628 1.3259 H 1 UNL1111111111 0.1926 38 H -1.6431 1.6717 0.3668 H 1 UNL1111111111 0.3178 39 H -3.2446 3.1659 1.1244 H 1 UNL1111111111 0.1583 40 H -5.6152 3.8851 1.1237 H 1 UNL1111111111 0.1532 41 H -4.3898 -0.6339 -0.6087 H 1 UNL1111111111 0.1989 42 H 0.1609 0.3240 -0.1832 H 1 UNL1111111111 0.3455 43 H 1.4545 -5.1042 -2.1838 H 1 UNL1111111111 0.1495 44 H 0.9006 -6.6903 -1.6297 H 1 UNL1111111111 0.1475 45 H -0.2169 -5.3177 -1.6561 H 1 UNL1111111111 0.1540 46 H 3.0074 -5.4516 1.2455 H 1 UNL1111111111 0.1533 47 H 2.7954 -6.7820 0.0935 H 1 UNL1111111111 0.1423 48 H 3.3720 -5.1977 -0.4571 H 1 UNL1111111111 0.1531 49 H -0.7452 -5.6707 0.8321 H 1 UNL1111111111 0.1555 50 H 0.3706 -7.0440 0.9008 H 1 UNL1111111111 0.1475 51 H 0.5600 -5.6867 2.0212 H 1 UNL1111111111 0.1500 52 H -7.9768 3.4385 0.5972 H 1 UNL1111111111 0.1494 53 H -9.7233 1.9114 -0.3019 H 1 UNL1111111111 0.1490 54 H -9.1088 -0.3261 -1.1397 H 1 UNL1111111111 0.1493 55 H -6.7357 -1.0771 -1.0999 H 1 UNL1111111111 0.1600 56 H 5.2354 1.3160 -2.3168 H 1 UNL1111111111 0.1541 57 H 3.4793 1.2546 -2.6300 H 1 UNL1111111111 0.1787 58 H 4.3484 3.6243 -2.1344 H 1 UNL1111111111 0.1927 59 H 2.9959 3.1149 -1.1390 H 1 UNL1111111111 0.2035 60 H 6.1255 1.7884 1.6830 H 1 UNL1111111111 0.1936 61 H 4.3828 1.6900 1.8424 H 1 UNL1111111111 0.1854 62 H 5.1773 -0.4391 0.8225 H 1 UNL1111111111 0.1581 63 H 6.1580 0.4115 -0.3746 H 1 UNL1111111111 0.1657 @BOND 1 1 2 ar 2 1 6 ar 3 1 35 1 4 2 4 ar 5 2 5 1 6 3 4 ar 7 3 6 ar 8 3 7 1 9 5 21 1 10 5 22 1 11 5 23 1 12 6 20 1 13 7 8 1 14 7 36 1 15 7 37 1 16 8 9 am 17 8 10 2 18 9 28 1 19 9 32 1 20 11 12 am 21 11 13 2 22 11 20 am 23 12 14 1 24 12 38 1 25 14 15 ar 26 14 19 ar 27 15 16 ar 28 15 39 1 29 16 17 ar 30 16 40 1 31 17 18 ar 32 17 24 ar 33 18 19 ar 34 18 27 ar 35 19 41 1 36 20 42 1 37 21 43 1 38 21 44 1 39 21 45 1 40 22 46 1 41 22 47 1 42 22 48 1 43 23 49 1 44 23 50 1 45 23 51 1 46 24 25 ar 47 24 52 1 48 25 26 ar 49 25 53 1 50 26 27 ar 51 26 54 1 52 27 55 1 53 28 29 1 54 28 56 1 55 28 57 1 56 29 30 1 57 29 58 1 58 29 59 1 59 30 31 1 60 30 33 2 61 30 34 2 62 31 32 1 63 31 60 1 64 31 61 1 65 32 62 1 66 32 63 1