@MOLECULE 1-[1-(4-methylphenyl)-3-(2-methyl-2-propanyl)-1h-pyrazol-5-yl]-3-{3-[(6-nitro-4-quinolinyl)amino]phenyl}urea 69 73 0 0 0 SMALL GASTEIGER @ATOM 1 C -7.1455 0.6044 0.0188 C.ar 1 UNL1111 -0.1140 2 C -7.1026 1.9675 0.4149 C.ar 1 UNL1111 -0.0796 3 C -5.9126 2.5105 0.8084 C.ar 1 UNL1111 -0.1745 4 C -6.0169 -0.1874 0.0169 C.ar 1 UNL1111 -0.0379 5 C -4.7798 0.3451 0.4378 C.ar 1 UNL1111 -0.2133 6 C -4.7249 1.7132 0.8310 C.ar 1 UNL1111 0.2439 7 C -3.5499 -0.4130 0.4960 C.ar 1 UNL1111 0.3083 8 C -2.4059 0.2234 0.9582 C.ar 1 UNL1111 -0.3855 9 C -2.4574 1.5931 1.2956 C.ar 1 UNL1111 0.1654 10 C -2.4594 -2.5650 -0.1024 C.ar 1 UNL1111 0.2624 11 C -1.2552 -2.0418 -0.5805 C.ar 1 UNL1111 -0.3052 12 C -0.1488 -2.8865 -0.7026 C.ar 1 UNL1111 0.2882 13 C -0.2751 -4.2687 -0.4829 C.ar 1 UNL1111 -0.3046 14 N -8.4164 0.0319 -0.3885 N.pl3 1 UNL1111 0.6359 15 O -9.4047 0.7462 -0.3885 O.2 1 UNL1111 -0.3952 16 O -8.4369 -1.1496 -0.7015 O.2 1 UNL1111 -0.4183 17 N -3.5679 2.3204 1.2382 N.ar 1 UNL1111 -0.4482 18 N -3.5873 -1.7451 0.1130 N.pl3 1 UNL1111 -0.4985 19 C -2.5980 -3.9452 0.1270 C.ar 1 UNL1111 -0.2900 20 C -1.5068 -4.7804 -0.0869 C.ar 1 UNL1111 -0.0404 21 N 1.1261 -2.3845 -1.0499 N.am 1 UNL1111 -0.5911 22 C 1.4894 -1.0613 -0.7567 C.2 1 UNL1111 0.7289 23 O 0.7459 -0.2476 -0.2601 O.2 1 UNL1111 -0.4891 24 N 2.8163 -0.7496 -1.1040 N.am 1 UNL1111 -0.5813 25 C 3.3014 0.5156 -0.7563 C.ar 1 UNL1111 0.2427 26 C 2.7369 1.7800 -0.9128 C.ar 1 UNL1111 -0.2940 27 C 3.7169 2.6980 -0.4128 C.ar 1 UNL1111 0.0691 28 C 3.5865 4.1903 -0.3478 C.3 1 UNL1111 0.1342 29 C 2.3426 4.5281 0.4917 C.3 1 UNL1111 -0.4570 30 C 4.8282 4.8251 0.2944 C.3 1 UNL1111 -0.4531 31 C 3.4188 4.7220 -1.7816 C.3 1 UNL1111 -0.4577 32 N 4.8155 2.0286 0.0097 N.ar 1 UNL1111 -0.2535 33 N 4.5578 0.6981 -0.1553 N.ar 1 UNL1111 -0.1755 34 C 5.5439 -0.2708 0.1625 C.ar 1 UNL1111 0.1463 35 C 6.8883 -0.0325 -0.1476 C.ar 1 UNL1111 -0.1391 36 C 7.8370 -1.0009 0.1600 C.ar 1 UNL1111 -0.1634 37 C 7.4563 -2.1979 0.7736 C.ar 1 UNL1111 0.0432 38 C 8.4794 -3.2280 1.1076 C.3 1 UNL1111 -0.4561 39 C 6.1136 -2.4147 1.0971 C.ar 1 UNL1111 -0.1626 40 C 5.1534 -1.4534 0.8043 C.ar 1 UNL1111 -0.1944 41 H -8.0243 2.5590 0.3957 H 1 UNL1111 0.1886 42 H -5.8277 3.5555 1.1160 H 1 UNL1111 0.1877 43 H -6.0933 -1.2284 -0.3169 H 1 UNL1111 0.1750 44 H -1.4546 -0.2990 1.0782 H 1 UNL1111 0.2099 45 H -1.5479 2.1172 1.6298 H 1 UNL1111 0.1830 46 H -1.1841 -0.9881 -0.8671 H 1 UNL1111 0.2147 47 H 0.5738 -4.9317 -0.6066 H 1 UNL1111 0.1609 48 H -4.4943 -2.1995 0.0490 H 1 UNL1111 0.3211 49 H -3.5394 -4.3577 0.4776 H 1 UNL1111 0.1666 50 H -1.6133 -5.8545 0.0760 H 1 UNL1111 0.1517 51 H 1.7931 -3.0372 -1.4370 H 1 UNL1111 0.3185 52 H 3.4829 -1.4474 -1.4024 H 1 UNL1111 0.3227 53 H 1.7721 2.0148 -1.3060 H 1 UNL1111 0.1964 54 H 2.4340 4.1284 1.5085 H 1 UNL1111 0.1530 55 H 2.2009 5.6103 0.5692 H 1 UNL1111 0.1466 56 H 1.4333 4.1010 0.0534 H 1 UNL1111 0.1541 57 H 5.7355 4.5854 -0.2734 H 1 UNL1111 0.1549 58 H 4.7389 5.9134 0.3480 H 1 UNL1111 0.1417 59 H 4.9857 4.4459 1.3119 H 1 UNL1111 0.1574 60 H 2.5250 4.3082 -2.2612 H 1 UNL1111 0.1498 61 H 3.3272 5.8126 -1.7891 H 1 UNL1111 0.1479 62 H 4.2800 4.4548 -2.4043 H 1 UNL1111 0.1500 63 H 7.1800 0.9113 -0.6141 H 1 UNL1111 0.1838 64 H 8.8850 -0.8208 -0.0773 H 1 UNL1111 0.1609 65 H 8.8540 -3.0871 2.1344 H 1 UNL1111 0.1663 66 H 8.0804 -4.2500 1.0487 H 1 UNL1111 0.1565 67 H 9.3512 -3.1879 0.4399 H 1 UNL1111 0.1580 68 H 5.8177 -3.3366 1.5957 H 1 UNL1111 0.1586 69 H 4.1171 -1.6048 1.1024 H 1 UNL1111 0.1684 @BOND 1 1 2 ar 2 2 3 ar 3 2 41 1 4 3 42 1 5 4 1 ar 6 4 5 ar 7 4 43 1 8 5 6 ar 9 6 3 ar 10 6 17 ar 11 7 5 ar 12 7 8 ar 13 8 9 ar 14 8 44 1 15 9 17 ar 16 9 45 1 17 10 18 1 18 10 19 ar 19 11 10 ar 20 11 46 1 21 12 11 ar 22 12 13 ar 23 13 20 ar 24 13 47 1 25 14 1 1 26 14 15 2 27 16 14 2 28 18 7 1 29 18 48 1 30 19 49 1 31 20 19 ar 32 20 50 1 33 21 12 1 34 21 22 am 35 21 51 1 36 22 23 2 37 24 22 am 38 24 52 1 39 25 24 1 40 25 26 ar 41 26 53 1 42 27 26 ar 43 27 28 1 44 28 29 1 45 28 30 1 46 29 54 1 47 29 55 1 48 29 56 1 49 30 57 1 50 30 58 1 51 30 59 1 52 31 28 1 53 31 60 1 54 31 61 1 55 31 62 1 56 32 27 ar 57 33 25 ar 58 33 32 ar 59 34 33 1 60 35 34 ar 61 35 63 1 62 36 35 ar 63 36 64 1 64 37 36 ar 65 37 39 ar 66 38 37 1 67 38 65 1 68 38 66 1 69 38 67 1 70 39 40 ar 71 39 68 1 72 40 34 ar 73 40 69 1