@MOLECULE 4-(1h-pyrazol-5-yl)-2-{4-[(3s)-3-pyrrolidinylamino]-2-quinazolinyl}phenol 48 52 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.1778 -2.9577 -0.1164 C.ar 1 UNL111111111 -0.0831 2 C -2.8931 -4.2966 0.0047 C.ar 1 UNL111111111 -0.1852 3 C -1.5533 -4.7386 0.1284 C.ar 1 UNL111111111 -0.0856 4 C -0.5167 -3.8416 0.1289 C.ar 1 UNL111111111 -0.1847 5 C -0.7928 -2.4501 0.0046 C.ar 1 UNL111111111 0.2654 6 C -2.1348 -2.0058 -0.1141 C.ar 1 UNL111111111 -0.2571 7 C -2.3100 -0.5744 -0.2376 C.ar 1 UNL111111111 0.4522 8 C 0.0195 -0.2685 -0.1155 C.ar 1 UNL111111111 0.4541 9 N -1.2521 0.2581 -0.2220 N.ar 1 UNL111111111 -0.6434 10 N 0.2657 -1.5757 0.0046 N.ar 1 UNL111111111 -0.5165 11 C -3.7393 1.4309 -0.5061 C.3 1 UNL111111111 0.0707 12 C -3.6951 2.1076 0.8993 C.3 1 UNL111111111 -0.1540 13 C -5.9074 2.4257 0.1232 C.3 1 UNL111111111 -0.1138 14 C -5.1564 1.7384 -1.0428 C.3 1 UNL111111111 -0.3361 15 N -3.5544 -0.0275 -0.4237 N.pl3 1 UNL111111111 -0.5148 16 N -5.0915 2.2816 1.3547 N.3 1 UNL111111111 -0.5101 17 C 1.1455 0.6705 -0.1088 C.ar 1 UNL111111111 -0.2283 18 C 1.0025 2.0705 -0.0738 C.ar 1 UNL111111111 0.3920 19 C 2.1285 2.9198 -0.0336 C.ar 1 UNL111111111 -0.2825 20 C 3.3934 2.3701 -0.0221 C.ar 1 UNL111111111 -0.0255 21 C 3.5620 0.9724 -0.0606 C.ar 1 UNL111111111 -0.1400 22 C 2.4468 0.1442 -0.1216 C.ar 1 UNL111111111 -0.0146 23 C 4.8966 0.4134 -0.0265 C.ar 1 UNL111111111 0.0811 24 C 6.1109 0.8789 -0.5462 C.ar 1 UNL111111111 -0.2986 25 C 7.0819 -0.0996 -0.1809 C.ar 1 UNL111111111 -0.0627 26 N 5.1822 -0.7887 0.6153 N.ar 1 UNL111111111 -0.1998 27 N 6.4955 -1.1011 0.5199 N.ar 1 UNL111111111 -0.2498 28 O -0.1692 2.7158 -0.0681 O.3 1 UNL111111111 -0.4849 29 H -4.2104 -2.6301 -0.2228 H 1 UNL111111111 0.1429 30 H -3.6926 -5.0355 0.0048 H 1 UNL111111111 0.1603 31 H -1.3600 -5.8085 0.2217 H 1 UNL111111111 0.1568 32 H 0.5247 -4.1541 0.2196 H 1 UNL111111111 0.1836 33 H -4.3652 -0.5697 -0.1567 H 1 UNL111111111 0.3120 34 H -2.9492 1.8497 -1.1791 H 1 UNL111111111 0.1675 35 H -3.0928 1.5395 1.6302 H 1 UNL111111111 0.1517 36 H -3.2329 3.1166 0.8211 H 1 UNL111111111 0.1639 37 H -5.1001 2.3999 -1.9232 H 1 UNL111111111 0.1581 38 H -5.6808 0.8349 -1.3908 H 1 UNL111111111 0.1507 39 H -5.3982 1.4870 1.9103 H 1 UNL111111111 0.2475 40 H -6.0209 3.5147 -0.0718 H 1 UNL111111111 0.1508 41 H -6.9234 2.0192 0.2672 H 1 UNL111111111 0.1291 42 H 2.5706 -0.9444 -0.1850 H 1 UNL111111111 0.1819 43 H 1.9717 3.9959 -0.0082 H 1 UNL111111111 0.1793 44 H -0.9594 2.0827 -0.1077 H 1 UNL111111111 0.3807 45 H 4.2748 3.0131 0.0209 H 1 UNL111111111 0.1585 46 H 6.2824 1.7668 -1.1078 H 1 UNL111111111 0.1715 47 H 4.5542 -1.4078 1.0861 H 1 UNL111111111 0.3321 48 H 8.1333 -0.1021 -0.3976 H 1 UNL111111111 0.1766 @BOND 1 1 2 ar 2 1 6 ar 3 1 29 1 4 2 3 ar 5 2 30 1 6 3 4 ar 7 3 31 1 8 4 5 ar 9 4 32 1 10 5 6 ar 11 5 10 ar 12 6 7 ar 13 7 9 ar 14 7 15 1 15 8 9 ar 16 8 10 ar 17 8 17 1 18 11 12 1 19 11 14 1 20 11 15 1 21 11 34 1 22 12 16 1 23 12 35 1 24 12 36 1 25 13 14 1 26 13 16 1 27 13 40 1 28 13 41 1 29 14 37 1 30 14 38 1 31 15 33 1 32 16 39 1 33 17 18 ar 34 17 22 ar 35 18 19 ar 36 18 28 1 37 19 20 ar 38 19 43 1 39 20 21 ar 40 20 45 1 41 21 22 ar 42 21 23 1 43 22 42 1 44 23 24 ar 45 23 26 ar 46 24 25 ar 47 24 46 1 48 25 27 ar 49 25 48 1 50 26 27 ar 51 26 47 1 52 28 44 1