@MOLECULE 1-[1-(4-methylphenyl)-3-(2-methyl-2-propanyl)-1h-pyrazol-5-yl]urea 40 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.8356 -3.3972 0.0558 O.2 1 UNL1111 -0.5033 2 C -0.6401 -3.3336 -0.1237 C.2 1 UNL1111 0.7328 3 N 0.1396 -4.4688 -0.3077 N.am 1 UNL1111 -0.7095 4 N 0.0849 -2.1235 -0.1497 N.am 1 UNL1111 -0.5853 5 C -0.5989 -0.9073 -0.0733 C.ar 1 UNL1111 0.2703 6 C -1.9570 -0.5933 -0.0720 C.ar 1 UNL1111 -0.3294 7 C -2.0200 0.8366 0.0082 C.ar 1 UNL1111 0.0818 8 C -3.2611 1.6768 0.0702 C.3 1 UNL1111 0.1381 9 C -4.2654 1.1653 -0.9759 C.3 1 UNL1111 -0.4580 10 C -3.8515 1.5371 1.4844 C.3 1 UNL1111 -0.4571 11 C -2.9392 3.1515 -0.2144 C.3 1 UNL1111 -0.4545 12 N -0.7742 1.3606 0.0475 N.ar 1 UNL1111 -0.2642 13 N 0.1008 0.3080 0.0205 N.ar 1 UNL1111 -0.1900 14 C 1.4981 0.5420 0.0381 C.ar 1 UNL1111 0.1574 15 C 2.3240 -0.2689 0.8268 C.ar 1 UNL1111 -0.2024 16 C 3.6982 -0.0571 0.8102 C.ar 1 UNL1111 -0.1606 17 C 4.2484 0.9671 0.0354 C.ar 1 UNL1111 0.0381 18 C 5.7231 1.1801 0.0118 C.3 1 UNL1111 -0.4554 19 C 3.4101 1.7914 -0.7220 C.ar 1 UNL1111 -0.1626 20 C 2.0360 1.5870 -0.7251 C.ar 1 UNL1111 -0.1425 21 H -0.3049 -5.3633 -0.2319 H 1 UNL1111 0.3255 22 H 1.1303 -4.4577 -0.3686 H 1 UNL1111 0.3057 23 H 1.0409 -2.0996 -0.4880 H 1 UNL1111 0.3203 24 H -2.7823 -1.2721 -0.1172 H 1 UNL1111 0.2057 25 H -4.5782 0.1366 -0.7642 H 1 UNL1111 0.1527 26 H -5.1649 1.7882 -0.9956 H 1 UNL1111 0.1456 27 H -3.8285 1.1754 -1.9807 H 1 UNL1111 0.1496 28 H -3.1519 1.9123 2.2407 H 1 UNL1111 0.1524 29 H -4.7840 2.1003 1.5812 H 1 UNL1111 0.1453 30 H -4.0628 0.4890 1.7269 H 1 UNL1111 0.1535 31 H -2.5065 3.2772 -1.2133 H 1 UNL1111 0.1505 32 H -3.8342 3.7755 -0.1493 H 1 UNL1111 0.1402 33 H -2.2019 3.5407 0.5001 H 1 UNL1111 0.1601 34 H 1.8936 -1.0339 1.4728 H 1 UNL1111 0.1723 35 H 4.3463 -0.6874 1.4170 H 1 UNL1111 0.1566 36 H 6.1841 0.6456 -0.8331 H 1 UNL1111 0.1611 37 H 5.9881 2.2417 -0.0950 H 1 UNL1111 0.1591 38 H 6.2151 0.8211 0.9263 H 1 UNL1111 0.1566 39 H 3.8349 2.6012 -1.3138 H 1 UNL1111 0.1593 40 H 1.3722 2.2346 -1.3023 H 1 UNL1111 0.1843 @BOND 1 1 2 2 2 2 4 am 3 3 2 am 4 3 21 1 5 3 22 1 6 4 5 1 7 4 23 1 8 5 6 ar 9 5 13 ar 10 6 7 ar 11 6 24 1 12 7 12 ar 13 7 8 1 14 8 10 1 15 8 9 1 16 9 25 1 17 9 26 1 18 9 27 1 19 10 28 1 20 10 29 1 21 10 30 1 22 11 8 1 23 11 31 1 24 11 32 1 25 11 33 1 26 13 14 1 27 13 12 ar 28 14 20 ar 29 15 16 ar 30 15 14 ar 31 15 34 1 32 16 17 ar 33 16 35 1 34 17 18 1 35 17 19 ar 36 18 36 1 37 18 37 1 38 18 38 1 39 19 39 1 40 20 19 ar 41 20 40 1