@MOLECULE n-[4-(benzylamino)-3-cyano-2-quinolinyl]-4-methoxybenzamide 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9491 -2.3136 -0.5533 O.2 1 UNL1111111111 -0.3840 2 O -7.5470 1.8845 0.5923 O.3 1 UNL1111111111 -0.3143 3 N 3.1189 0.1368 -0.1523 N.pl3 1 UNL1111111111 -0.4793 4 N -0.3100 -2.2892 0.0247 N.ar 1 UNL1111111111 -0.4821 5 N -1.7267 -0.4284 -0.0305 N.am 1 UNL1111111111 -0.5855 6 N 0.0959 2.4031 -0.5606 N.1 1 UNL1111111111 -0.3145 7 C 1.9825 -0.6051 -0.1370 C.ar 1 UNL1111111111 0.3794 8 C 2.1271 -2.0499 -0.0742 C.ar 1 UNL1111111111 -0.2484 9 C 0.9494 -2.8333 -0.0072 C.ar 1 UNL1111111111 0.2767 10 C 0.6846 -0.0623 -0.1786 C.ar 1 UNL1111111111 -0.4091 11 C 3.1670 1.6069 -0.1282 C.3 1 UNL1111111111 -0.0848 12 C -0.4391 -0.9715 -0.0663 C.ar 1 UNL1111111111 0.4860 13 C 3.3749 -2.7180 -0.0764 C.ar 1 UNL1111111111 -0.0822 14 C 4.5959 2.0416 0.0564 C.ar 1 UNL1111111111 -0.0559 15 C 1.0351 -4.2551 0.0500 C.ar 1 UNL1111111111 -0.1772 16 C 3.4444 -4.0890 -0.0170 C.ar 1 UNL1111111111 -0.1991 17 C 2.2624 -4.8641 0.0454 C.ar 1 UNL1111111111 -0.0891 18 C 5.2082 1.8914 1.3019 C.ar 1 UNL1111111111 -0.1459 19 C 5.3032 2.5925 -1.0116 C.ar 1 UNL1111111111 -0.1400 20 C -2.9257 -1.1539 -0.2515 C.2 1 UNL1111111111 0.5939 21 C -4.1287 -0.2989 -0.0698 C.ar 1 UNL1111111111 -0.2255 22 C 0.3985 1.2959 -0.3818 C.1 1 UNL1111111111 0.1770 23 C 6.5308 2.2909 1.4762 C.ar 1 UNL1111111111 -0.1461 24 C 6.6260 2.9936 -0.8323 C.ar 1 UNL1111111111 -0.1453 25 C 7.2403 2.8418 0.4095 C.ar 1 UNL1111111111 -0.1373 26 C -5.0737 -0.6862 0.8871 C.ar 1 UNL1111111111 -0.0237 27 C -4.3305 0.8345 -0.8534 C.ar 1 UNL1111111111 -0.0383 28 C -6.2129 0.0770 1.0818 C.ar 1 UNL1111111111 -0.2678 29 C -5.4714 1.6132 -0.6756 C.ar 1 UNL1111111111 -0.3090 30 C -6.3980 1.2292 0.2959 C.ar 1 UNL1111111111 0.2796 31 C -7.8223 3.0827 -0.1214 C.3 1 UNL1111111111 -0.2037 32 H 4.0240 -0.3237 -0.1598 H 1 UNL1111111111 0.3228 33 H 2.5337 1.9995 0.7079 H 1 UNL1111111111 0.1715 34 H 2.7384 2.0154 -1.0776 H 1 UNL1111111111 0.1692 35 H 4.3006 -2.1457 -0.1277 H 1 UNL1111111111 0.1360 36 H 0.1012 -4.8198 0.0935 H 1 UNL1111111111 0.1865 37 H -1.8083 0.5639 0.1890 H 1 UNL1111111111 0.3269 38 H 4.4068 -4.5952 -0.0186 H 1 UNL1111111111 0.1536 39 H 2.3443 -5.9501 0.0884 H 1 UNL1111111111 0.1517 40 H 4.6519 1.4665 2.1373 H 1 UNL1111111111 0.1606 41 H 4.8274 2.7122 -1.9846 H 1 UNL1111111111 0.1589 42 H 7.0108 2.1764 2.4466 H 1 UNL1111111111 0.1531 43 H 7.1794 3.4262 -1.6642 H 1 UNL1111111111 0.1532 44 H 8.2738 3.1554 0.5482 H 1 UNL1111111111 0.1517 45 H -4.9091 -1.5919 1.4769 H 1 UNL1111111111 0.1678 46 H -3.6004 1.1165 -1.6154 H 1 UNL1111111111 0.1604 47 H -6.9611 -0.1952 1.8217 H 1 UNL1111111111 0.1752 48 H -5.6252 2.4948 -1.2876 H 1 UNL1111111111 0.1664 49 H -7.0496 3.8353 0.0644 H 1 UNL1111111111 0.1372 50 H -8.7792 3.3979 0.3182 H 1 UNL1111111111 0.1561 51 H -7.9409 2.8820 -1.1907 H 1 UNL1111111111 0.1371 @BOND 1 1 20 2 2 2 30 1 3 2 31 1 4 3 7 1 5 3 11 1 6 3 32 1 7 4 9 ar 8 4 12 ar 9 5 12 1 10 5 20 am 11 5 37 1 12 6 22 3 13 7 8 ar 14 7 10 ar 15 8 9 ar 16 8 13 ar 17 9 15 ar 18 10 12 ar 19 10 22 1 20 11 14 1 21 11 33 1 22 11 34 1 23 13 16 ar 24 13 35 1 25 14 18 ar 26 14 19 ar 27 15 17 ar 28 15 36 1 29 16 17 ar 30 16 38 1 31 17 39 1 32 18 23 ar 33 18 40 1 34 19 24 ar 35 19 41 1 36 20 21 1 37 21 26 ar 38 21 27 ar 39 23 25 ar 40 23 42 1 41 24 25 ar 42 24 43 1 43 25 44 1 44 26 28 ar 45 26 45 1 46 27 29 ar 47 27 46 1 48 28 30 ar 49 28 47 1 50 29 30 ar 51 29 48 1 52 31 49 1 53 31 50 1 54 31 51 1