@MOLECULE n-{(1s)-1-[8-chloro-2-(3-fluorophenyl)-3-quinolinyl]ethyl}-9h-purin-6-amine 46 50 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.6583 -1.6128 0.1662 C.ar 1 UNL1111 -0.2043 2 N 3.8365 -2.9932 0.1720 N.ar 1 UNL1111 -0.3363 3 C 4.9571 -3.2231 0.8531 C.ar 1 UNL1111 0.1198 4 N 5.5544 -2.0217 1.3135 N.ar 1 UNL1111 -0.4036 5 C 4.7341 -0.9899 0.8839 C.ar 1 UNL1111 0.2867 6 N 4.8675 0.3486 1.0664 N.ar 1 UNL1111 -0.5045 7 C 3.8800 1.0749 0.5051 C.ar 1 UNL1111 0.3071 8 N 2.8203 0.6040 -0.2008 N.ar 1 UNL1111 -0.5818 9 C 2.6789 -0.7414 -0.3915 C.ar 1 UNL1111 0.4692 10 N 1.6326 -1.2277 -1.1057 N.pl3 1 UNL1111 -0.4838 11 C 0.6327 -0.3590 -1.7431 C.3 1 UNL1111 0.1170 12 C 0.5382 -0.7029 -3.2364 C.3 1 UNL1111 -0.4696 13 C -0.7094 -0.5532 -1.0740 C.ar 1 UNL1111 -0.1117 14 C -1.3351 -1.7733 -1.0491 C.ar 1 UNL1111 -0.1007 15 C -2.6083 -1.9101 -0.4323 C.ar 1 UNL1111 -0.0697 16 C -3.3135 -3.1403 -0.3865 C.ar 1 UNL1111 -0.1468 17 C -4.5437 -3.2130 0.2169 C.ar 1 UNL1111 -0.1323 18 C -5.1308 -2.0660 0.8074 C.ar 1 UNL1111 -0.1622 19 C -4.4607 -0.8733 0.7714 C.ar 1 UNL1111 0.0055 20 CL -5.1578 0.5033 1.4798 Cl 1 UNL1111 -0.0224 21 C -3.1848 -0.7542 0.1517 C.ar 1 UNL1111 0.1268 22 N -2.5502 0.4622 0.1319 N.ar 1 UNL1111 -0.3458 23 C -1.3684 0.5602 -0.4505 C.ar 1 UNL1111 0.1840 24 C -0.7371 1.8980 -0.4414 C.ar 1 UNL1111 0.0163 25 C 0.1049 2.2505 0.6118 C.ar 1 UNL1111 -0.1696 26 C 0.7069 3.5067 0.5569 C.ar 1 UNL1111 0.2073 27 F 1.5163 3.8632 1.5434 F 1 UNL1111 -0.1742 28 C 0.4984 4.4055 -0.4880 C.ar 1 UNL1111 -0.2143 29 C -0.3630 4.0278 -1.5164 C.ar 1 UNL1111 -0.1085 30 C -0.9829 2.7800 -1.4958 C.ar 1 UNL1111 -0.1712 31 H 5.3924 -4.1899 1.0527 H 1 UNL1111 0.1970 32 H 3.9317 2.1722 0.6272 H 1 UNL1111 0.2049 33 H 1.5416 -2.2307 -1.2132 H 1 UNL1111 0.3323 34 H 0.9727 0.7185 -1.6410 H 1 UNL1111 0.2014 35 H 0.2558 -1.7457 -3.4126 H 1 UNL1111 0.1513 36 H -0.2075 -0.0695 -3.7322 H 1 UNL1111 0.1601 37 H 1.5001 -0.5312 -3.7382 H 1 UNL1111 0.1651 38 H -0.8771 -2.6555 -1.4978 H 1 UNL1111 0.1639 39 H -2.8605 -4.0223 -0.8383 H 1 UNL1111 0.1614 40 H -5.0904 -4.1555 0.2546 H 1 UNL1111 0.1612 41 H -6.1092 -2.1571 1.2821 H 1 UNL1111 0.1758 42 H 0.2914 1.5624 1.4368 H 1 UNL1111 0.1883 43 H 0.9899 5.3749 -0.5031 H 1 UNL1111 0.1661 44 H -0.5521 4.7124 -2.3414 H 1 UNL1111 0.1497 45 H -1.6646 2.4946 -2.2946 H 1 UNL1111 0.1594 46 H 6.3905 -1.9163 1.8466 H 1 UNL1111 0.3359 @BOND 1 1 2 ar 2 1 5 ar 3 2 3 ar 4 3 4 ar 5 3 31 1 6 4 46 1 7 5 6 ar 8 5 4 ar 9 7 6 ar 10 7 32 1 11 8 7 ar 12 9 8 ar 13 9 1 ar 14 10 9 1 15 10 33 1 16 11 10 1 17 11 34 1 18 12 11 1 19 12 35 1 20 12 36 1 21 12 37 1 22 13 11 1 23 14 13 ar 24 14 38 1 25 15 14 ar 26 16 15 ar 27 16 39 1 28 17 16 ar 29 17 40 1 30 18 17 ar 31 18 19 ar 32 18 41 1 33 19 21 ar 34 20 19 1 35 21 15 ar 36 21 22 ar 37 22 23 ar 38 23 13 ar 39 23 24 1 40 24 30 ar 41 24 25 ar 42 25 26 ar 43 25 42 1 44 26 28 ar 45 26 27 1 46 28 43 1 47 29 28 ar 48 29 44 1 49 30 29 ar 50 30 45 1