@MOLECULE 1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-[2-(isopropylamino)-1,3-thiazol-5-yl]-4-pyrimidinyl)benzyl]-3-ethylurea 68 70 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.7980 1.6401 -0.1541 C.ar 1 UNL1111111111 -0.4480 2 C 1.3171 0.3379 -0.0419 C.ar 1 UNL1111111111 0.3661 3 N 0.5181 -0.7226 0.2323 N.ar 1 UNL1111111111 -0.5435 4 C -0.8052 -0.4663 0.4619 C.ar 1 UNL1111111111 0.5390 5 N -1.3632 0.7950 0.4663 N.ar 1 UNL1111111111 -0.5561 6 C -0.5662 1.8184 0.1249 C.ar 1 UNL1111111111 0.2934 7 C 2.7190 0.0368 -0.1893 C.ar 1 UNL1111111111 -0.3494 8 C 3.2702 -1.2174 -0.3539 C.ar 1 UNL1111111111 0.1637 9 N 4.6476 -1.2927 -0.3519 N.ar 1 UNL1111111111 -0.5183 10 C 5.2066 -0.0855 -0.1897 C.ar 1 UNL1111111111 0.3036 11 S 3.9866 1.2407 -0.0539 S.2 1 UNL1111111111 0.1249 12 N 6.5393 0.1542 -0.1736 N.pl3 1 UNL1111111111 -0.5024 13 C 7.4884 -0.9772 -0.0329 C.3 1 UNL1111111111 0.1374 14 C 8.8859 -0.4713 -0.4042 C.3 1 UNL1111111111 -0.4825 15 C 7.4578 -1.5218 1.4010 C.3 1 UNL1111111111 -0.4908 16 N -1.6642 -1.4895 0.7847 N.pl3 1 UNL1111111111 -0.4802 17 C -2.2240 5.7413 -0.1044 C.ar 1 UNL1111111111 -0.1412 18 C -1.1872 3.1552 0.0385 C.ar 1 UNL1111111111 -0.0357 19 C -2.3844 3.3840 -0.6484 C.ar 1 UNL1111111111 -0.0137 20 C -2.8906 4.6856 -0.7190 C.ar 1 UNL1111111111 -0.1579 21 C -1.0396 5.5064 0.5930 C.ar 1 UNL1111111111 -0.1500 22 C -0.5228 4.2173 0.6624 C.ar 1 UNL1111111111 -0.1310 23 C -3.1777 2.2790 -1.3023 C.3 1 UNL1111111111 -0.0695 24 C -3.1476 -5.2856 -1.7976 C.3 1 UNL1111111111 -0.2849 25 N -2.1586 -4.8393 -0.7941 N.3 1 UNL1111111111 -0.3708 26 C -2.5934 -3.5717 -0.1621 C.3 1 UNL1111111111 -0.1649 27 C -1.3264 -2.8635 0.3757 C.3 1 UNL1111111111 -0.0702 28 C -1.9381 -5.8921 0.2201 C.3 1 UNL1111111111 -0.2875 29 N -4.1649 1.7409 -0.3395 N.am 1 UNL1111111111 -0.5721 30 C -4.3167 0.3493 -0.3013 C.2 1 UNL1111111111 0.7189 31 N -4.9096 -0.1547 0.8627 N.am 1 UNL1111111111 -0.6276 32 O -3.9868 -0.3916 -1.2118 O.2 1 UNL1111111111 -0.5831 33 C -5.5083 -1.4976 0.8249 C.3 1 UNL1111111111 -0.0431 34 C -5.2404 -2.1997 2.1596 C.3 1 UNL1111111111 -0.4633 35 H 1.4071 2.4775 -0.4633 H 1 UNL1111111111 0.1870 36 H 2.7075 -2.1471 -0.4717 H 1 UNL1111111111 0.2035 37 H 6.8889 1.0666 0.0819 H 1 UNL1111111111 0.3145 38 H 7.1627 -1.7849 -0.7480 H 1 UNL1111111111 0.1700 39 H 9.2618 0.2725 0.3060 H 1 UNL1111111111 0.1502 40 H 9.6033 -1.3013 -0.4167 H 1 UNL1111111111 0.1609 41 H 8.8964 -0.0199 -1.4048 H 1 UNL1111111111 0.1604 42 H 7.6169 -0.7380 2.1477 H 1 UNL1111111111 0.1495 43 H 6.4854 -1.9925 1.6153 H 1 UNL1111111111 0.1752 44 H 8.2256 -2.2880 1.5503 H 1 UNL1111111111 0.1558 45 H -2.6552 -1.2360 0.7743 H 1 UNL1111111111 0.3299 46 H -2.6266 6.7502 -0.1665 H 1 UNL1111111111 0.1470 47 H -3.8180 4.8743 -1.2591 H 1 UNL1111111111 0.1563 48 H -0.5200 6.3285 1.0803 H 1 UNL1111111111 0.1502 49 H 0.4039 4.0294 1.2078 H 1 UNL1111111111 0.1635 50 H -3.7510 2.6541 -2.1849 H 1 UNL1111111111 0.1542 51 H -2.5134 1.4671 -1.6968 H 1 UNL1111111111 0.1812 52 H -3.2530 -4.5033 -2.5703 H 1 UNL1111111111 0.1550 53 H -2.7615 -6.1851 -2.3045 H 1 UNL1111111111 0.1428 54 H -4.1425 -5.5141 -1.3908 H 1 UNL1111111111 0.1152 55 H -3.0711 -2.9200 -0.9345 H 1 UNL1111111111 0.1666 56 H -3.3385 -3.7140 0.6459 H 1 UNL1111111111 0.1177 57 H -0.5310 -2.8777 -0.4104 H 1 UNL1111111111 0.1831 58 H -0.9053 -3.3906 1.2598 H 1 UNL1111111111 0.1483 59 H -1.5656 -6.8009 -0.2805 H 1 UNL1111111111 0.1417 60 H -1.1481 -5.5619 0.9155 H 1 UNL1111111111 0.1491 61 H -2.8299 -6.1610 0.8041 H 1 UNL1111111111 0.1146 62 H -4.2065 2.2506 0.5363 H 1 UNL1111111111 0.3004 63 H -5.2878 0.4695 1.5564 H 1 UNL1111111111 0.3028 64 H -6.6016 -1.4337 0.6268 H 1 UNL1111111111 0.1236 65 H -5.0691 -2.0793 -0.0206 H 1 UNL1111111111 0.1611 66 H -5.5869 -3.2364 2.1342 H 1 UNL1111111111 0.1450 67 H -4.1686 -2.2081 2.4015 H 1 UNL1111111111 0.1655 68 H -5.7484 -1.6998 2.9917 H 1 UNL1111111111 0.1489 @BOND 1 1 2 ar 2 1 35 1 3 2 3 ar 4 2 7 1 5 4 3 ar 6 4 16 1 7 5 4 ar 8 6 1 ar 9 6 5 ar 10 7 11 ar 11 8 7 ar 12 8 9 ar 13 8 36 1 14 9 10 ar 15 10 12 1 16 11 10 ar 17 12 13 1 18 12 37 1 19 13 15 1 20 13 38 1 21 14 13 1 22 14 39 1 23 14 40 1 24 14 41 1 25 15 42 1 26 15 43 1 27 15 44 1 28 16 27 1 29 16 45 1 30 17 20 ar 31 17 21 ar 32 17 46 1 33 18 6 1 34 19 18 ar 35 20 19 ar 36 20 47 1 37 21 22 ar 38 21 48 1 39 22 18 ar 40 22 49 1 41 23 19 1 42 23 50 1 43 23 51 1 44 24 52 1 45 24 53 1 46 24 54 1 47 25 24 1 48 25 26 1 49 26 55 1 50 26 56 1 51 27 26 1 52 27 57 1 53 27 58 1 54 28 25 1 55 28 59 1 56 28 60 1 57 28 61 1 58 29 23 1 59 29 62 1 60 30 29 am 61 30 32 2 62 31 30 am 63 31 63 1 64 33 31 1 65 33 64 1 66 33 65 1 67 34 33 1 68 34 66 1 69 34 67 1 70 34 68 1