@MOLECULE 5-[(4'-amino-1'-ethyl-5',8'-difluoro-1h,1'h-spiro[piperidine-4,2'-quinazolin]-1-yl)carbonyl]-3,4-dihydro-2-pyridinecarbonitrile 52 55 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.6576 1.3395 2.1466 C.3 1 UNL1111111111 -0.0597 2 C -2.8651 0.6151 -1.4511 C.2 1 UNL1111111111 0.4259 3 N -1.9295 1.4475 -1.0782 N.2 1 UNL1111111111 -0.6027 4 C -3.7755 -2.7959 0.9972 C.ar 1 UNL1111111111 -0.1126 5 C -3.8342 -1.7424 -1.1528 C.ar 1 UNL1111111111 0.2392 6 C -3.0877 -1.6899 1.4837 C.ar 1 UNL1111111111 0.0795 7 C -4.1463 -2.8329 -0.3450 C.ar 1 UNL1111111111 -0.2414 8 C -3.1893 -0.6007 -0.6756 C.ar 1 UNL1111111111 -0.2673 9 C -1.1329 1.1298 0.1018 C.3 1 UNL1111111111 0.3995 10 N -1.9580 0.4682 1.1768 N.pl3 1 UNL1111111111 -0.4785 11 C -2.7656 -0.5805 0.6758 C.ar 1 UNL1111111111 0.1961 12 F -4.1630 -1.8162 -2.4311 F 1 UNL1111111111 -0.1520 13 F -2.6925 -1.7124 2.7463 F 1 UNL1111111111 -0.1379 14 C -0.4898 2.4439 0.6053 C.3 1 UNL1111111111 -0.3232 15 C 0.5376 2.9636 -0.4188 C.3 1 UNL1111111111 -0.0600 16 N 1.5706 1.9519 -0.6986 N.am 1 UNL1111111111 -0.4642 17 C 0.9977 0.7052 -1.2242 C.3 1 UNL1111111111 -0.0684 18 C -0.0117 0.0965 -0.2388 C.3 1 UNL1111111111 -0.3543 19 C 2.6844 1.9343 0.1327 C.2 1 UNL1111111111 0.5607 20 O 2.9317 2.8723 0.8648 O.2 1 UNL1111111111 -0.5098 21 N -3.5528 0.9141 -2.6174 N.pl3 1 UNL1111111111 -0.5983 22 C 3.6204 0.7817 0.0261 C.2 1 UNL1111111111 -0.1277 23 C 4.3928 0.5627 -1.0552 C.2 1 UNL1111111111 -0.0051 24 N 5.3521 -0.4673 -1.0887 N.2 1 UNL1111111111 -0.3175 25 C 5.3402 -1.3601 -0.1536 C.2 1 UNL1111111111 0.2083 26 C 4.3434 -1.4317 0.9763 C.3 1 UNL1111111111 -0.3179 27 C 3.7345 -0.0499 1.2606 C.3 1 UNL1111111111 -0.2573 28 C 6.3281 -2.3999 -0.1840 C.1 1 UNL1111111111 0.0862 29 N 7.1164 -3.2453 -0.1891 N.1 1 UNL1111111111 -0.1912 30 C -3.7922 2.1690 1.5374 C.3 1 UNL1111111111 -0.4880 31 H -1.8982 1.9981 2.6254 H 1 UNL1111111111 0.1535 32 H -3.0575 0.7077 2.9716 H 1 UNL1111111111 0.1531 33 H -4.0057 -3.6396 1.6531 H 1 UNL1111111111 0.1820 34 H -4.6603 -3.7043 -0.7516 H 1 UNL1111111111 0.1880 35 H -1.2629 3.2196 0.7609 H 1 UNL1111111111 0.1605 36 H 0.0053 2.2697 1.5799 H 1 UNL1111111111 0.1631 37 H 0.0281 3.2105 -1.3808 H 1 UNL1111111111 0.1650 38 H 1.0173 3.8974 -0.0447 H 1 UNL1111111111 0.1664 39 H 0.4854 0.9476 -2.1891 H 1 UNL1111111111 0.1690 40 H 1.7990 -0.0251 -1.4632 H 1 UNL1111111111 0.1467 41 H 0.4852 -0.2119 0.6996 H 1 UNL1111111111 0.1637 42 H -0.4503 -0.8213 -0.6687 H 1 UNL1111111111 0.1577 43 H -4.4946 0.6048 -2.7298 H 1 UNL1111111111 0.3029 44 H -3.3284 1.7871 -3.0673 H 1 UNL1111111111 0.3110 45 H 4.3702 1.1623 -1.9717 H 1 UNL1111111111 0.1908 46 H 3.5454 -2.1590 0.7049 H 1 UNL1111111111 0.1740 47 H 4.8085 -1.8376 1.8980 H 1 UNL1111111111 0.1718 48 H 4.3593 0.5083 2.0006 H 1 UNL1111111111 0.1793 49 H 2.7485 -0.1690 1.7589 H 1 UNL1111111111 0.1679 50 H -4.2379 2.8341 2.2851 H 1 UNL1111111111 0.1571 51 H -3.4392 2.7949 0.7067 H 1 UNL1111111111 0.1665 52 H -4.5914 1.5322 1.1430 H 1 UNL1111111111 0.1496 @BOND 1 1 10 1 2 1 30 1 3 1 31 1 4 1 32 1 5 2 3 2 6 2 8 1 7 2 21 1 8 3 9 1 9 4 6 ar 10 4 7 ar 11 4 33 1 12 5 7 ar 13 5 8 ar 14 5 12 1 15 6 11 ar 16 6 13 1 17 7 34 1 18 8 11 ar 19 9 10 1 20 9 14 1 21 9 18 1 22 10 11 1 23 14 15 1 24 14 35 1 25 14 36 1 26 15 16 1 27 15 37 1 28 15 38 1 29 16 17 1 30 16 19 am 31 17 18 1 32 17 39 1 33 17 40 1 34 18 41 1 35 18 42 1 36 19 20 2 37 19 22 1 38 21 43 1 39 21 44 1 40 22 23 2 41 22 27 1 42 23 24 1 43 23 45 1 44 24 25 2 45 25 26 1 46 25 28 1 47 26 27 1 48 26 46 1 49 26 47 1 50 27 48 1 51 27 49 1 52 28 29 3 53 30 50 1 54 30 51 1 55 30 52 1