@MOLECULE n-[(2s,5r)-5-carbamoyladamantan-2-yl]-4-{5-[4-(2-methyl-2-propanyl)-1-piperazinyl]-2-pyridinyl}-3,4-dihydro-1(2h)-quinoxalinecarboxamide 87 93 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.3374 0.6188 0.3393 C.3 1 UNL111111111 0.0823 2 C 6.0517 1.9276 -0.0821 C.3 1 UNL111111111 -0.1195 3 C 7.3847 1.9893 0.6811 C.3 1 UNL111111111 -0.2798 4 C 8.2637 0.7795 0.2994 C.3 1 UNL111111111 -0.0137 5 C 7.5331 -0.5246 0.6728 C.3 1 UNL111111111 -0.2877 6 C 6.2008 -0.5970 -0.0941 C.3 1 UNL111111111 -0.1275 7 C 6.4713 -0.5639 -1.6057 C.3 1 UNL111111111 -0.2920 8 C 8.5412 0.8098 -1.2160 C.3 1 UNL111111111 -0.2923 9 C 7.2035 0.7382 -1.9770 C.3 1 UNL111111111 -0.0820 10 C 9.5787 0.8976 1.0665 C.2 1 UNL111111111 0.5619 11 C 1.7863 -2.9032 -0.0784 C.ar 1 UNL111111111 -0.1396 12 C 1.1250 -1.6742 -0.1801 C.ar 1 UNL111111111 0.1191 13 C -0.1492 0.7857 0.0880 C.3 1 UNL111111111 -0.1027 14 C -2.3480 -0.2944 -0.2430 C.ar 1 UNL111111111 0.3417 15 C -3.1499 -1.1718 -1.0100 C.ar 1 UNL111111111 -0.2703 16 C -4.2045 0.9307 0.4242 C.ar 1 UNL111111111 0.0089 17 C -6.9608 1.6353 -0.0765 C.3 1 UNL111111111 -0.1158 18 C -8.4650 1.7127 -0.4418 C.3 1 UNL111111111 -0.1102 19 C -7.2348 -0.7211 0.4499 C.3 1 UNL111111111 -0.1064 20 C -10.6870 0.9068 0.3381 C.3 1 UNL111111111 0.2764 21 C -11.2677 0.6397 -1.0673 C.3 1 UNL111111111 -0.5095 22 C -11.3334 -0.0695 1.3468 C.3 1 UNL111111111 -0.4725 23 N -9.2068 0.7540 0.4142 N.3 1 UNL111111111 -0.4641 24 C -11.0568 2.3424 0.7742 C.3 1 UNL111111111 -0.4728 25 C -8.7375 -0.6173 0.0949 C.3 1 UNL111111111 -0.1145 26 N -6.4888 0.2648 -0.3734 N.pl3 1 UNL111111111 -0.4056 27 C -5.0782 0.0830 -0.2797 C.ar 1 UNL111111111 0.0328 28 C -4.5192 -0.9782 -1.0165 C.ar 1 UNL111111111 -0.0886 29 N -2.8739 0.7471 0.4475 N.ar 1 UNL111111111 -0.4293 30 N -0.9471 -0.4012 -0.2646 N.pl3 1 UNL111111111 -0.4032 31 C 1.1261 0.7069 -0.7817 C.3 1 UNL111111111 -0.0963 32 C -0.2888 -1.6284 -0.0365 C.ar 1 UNL111111111 0.1478 33 C -0.9770 -2.8039 0.2892 C.ar 1 UNL111111111 -0.2288 34 C -0.2996 -4.0135 0.3943 C.ar 1 UNL111111111 -0.1224 35 C 1.0771 -4.0677 0.1960 C.ar 1 UNL111111111 -0.1702 36 N 1.8973 -0.5148 -0.4857 N.am 1 UNL111111111 -0.4859 37 C 3.0947 -0.3510 0.2859 C.2 1 UNL111111111 0.6907 38 O 3.3319 -0.9840 1.2922 O.2 1 UNL111111111 -0.5259 39 N 3.9853 0.5784 -0.2396 N.am 1 UNL111111111 -0.6134 40 C 6.3350 1.9498 -1.5940 C.3 1 UNL111111111 -0.2913 41 O 9.8435 1.8359 1.7900 O.2 1 UNL111111111 -0.5311 42 N 10.5125 -0.1129 0.9191 N.am 1 UNL111111111 -0.6992 43 H 5.2211 0.5986 1.4596 H 1 UNL111111111 0.1661 44 H 5.4184 2.8003 0.1945 H 1 UNL111111111 0.1424 45 H 7.9182 2.9329 0.4572 H 1 UNL111111111 0.1583 46 H 7.2162 2.0105 1.7749 H 1 UNL111111111 0.1590 47 H 8.1473 -1.4096 0.4347 H 1 UNL111111111 0.1363 48 H 7.3506 -0.5652 1.7640 H 1 UNL111111111 0.1552 49 H 5.6639 -1.5366 0.1751 H 1 UNL111111111 0.1539 50 H 7.0747 -1.4399 -1.9028 H 1 UNL111111111 0.1370 51 H 5.5255 -0.6485 -2.1693 H 1 UNL111111111 0.1383 52 H 9.0850 1.7338 -1.4864 H 1 UNL111111111 0.1471 53 H 9.1915 -0.0284 -1.5180 H 1 UNL111111111 0.1345 54 H 7.4025 0.7543 -3.0717 H 1 UNL111111111 0.1250 55 H 2.8693 -2.9451 -0.1989 H 1 UNL111111111 0.1668 56 H -0.7200 1.7163 -0.1302 H 1 UNL111111111 0.1750 57 H 0.0958 0.8076 1.1728 H 1 UNL111111111 0.1565 58 H -2.6885 -1.9594 -1.6019 H 1 UNL111111111 0.1837 59 H -4.5638 1.7878 1.0042 H 1 UNL111111111 0.1748 60 H -6.3905 2.3537 -0.7027 H 1 UNL111111111 0.1416 61 H -6.8281 1.9186 0.9901 H 1 UNL111111111 0.1332 62 H -8.8233 2.7438 -0.2466 H 1 UNL111111111 0.1384 63 H -8.5959 1.5093 -1.5264 H 1 UNL111111111 0.1290 64 H -7.0939 -0.5470 1.5392 H 1 UNL111111111 0.1362 65 H -6.8659 -1.7419 0.2191 H 1 UNL111111111 0.1395 66 H -11.0558 -0.3789 -1.4046 H 1 UNL111111111 0.1485 67 H -12.3549 0.7665 -1.0687 H 1 UNL111111111 0.1534 68 H -10.8556 1.3281 -1.8108 H 1 UNL111111111 0.1489 69 H -10.8158 -0.0196 2.3135 H 1 UNL111111111 0.1623 70 H -12.3842 0.1831 1.5176 H 1 UNL111111111 0.1471 71 H -11.3028 -1.1058 1.0006 H 1 UNL111111111 0.1428 72 H -10.8180 3.0841 0.0075 H 1 UNL111111111 0.1430 73 H -12.1282 2.4250 0.9807 H 1 UNL111111111 0.1473 74 H -10.5175 2.6149 1.6906 H 1 UNL111111111 0.1619 75 H -8.8877 -0.8835 -0.9734 H 1 UNL111111111 0.1277 76 H -9.2969 -1.3545 0.7067 H 1 UNL111111111 0.1388 77 H -5.1713 -1.6270 -1.6038 H 1 UNL111111111 0.1715 78 H 0.8429 0.6624 -1.8618 H 1 UNL111111111 0.1646 79 H 1.7392 1.6200 -0.6327 H 1 UNL111111111 0.1518 80 H -2.0471 -2.7770 0.4888 H 1 UNL111111111 0.1677 81 H -0.8510 -4.9191 0.6414 H 1 UNL111111111 0.1514 82 H 1.6044 -5.0157 0.2711 H 1 UNL111111111 0.1528 83 H 3.8851 0.8910 -1.1939 H 1 UNL111111111 0.3110 84 H 5.3986 1.9523 -2.1758 H 1 UNL111111111 0.1281 85 H 6.8537 2.8886 -1.8635 H 1 UNL111111111 0.1417 86 H 10.3670 -0.9090 0.3440 H 1 UNL111111111 0.3003 87 H 11.3839 -0.0570 1.4081 H 1 UNL111111111 0.3123 @BOND 1 1 2 1 2 1 43 1 3 2 3 1 4 2 44 1 5 3 45 1 6 3 46 1 7 4 3 1 8 4 10 1 9 5 4 1 10 5 47 1 11 5 48 1 12 6 1 1 13 6 5 1 14 6 49 1 15 7 9 1 16 7 6 1 17 7 50 1 18 7 51 1 19 8 4 1 20 8 52 1 21 8 53 1 22 9 40 1 23 9 8 1 24 9 54 1 25 10 42 am 26 11 12 ar 27 11 55 1 28 12 36 1 29 13 56 1 30 13 57 1 31 14 30 1 32 14 29 ar 33 15 14 ar 34 15 58 1 35 16 29 ar 36 16 59 1 37 17 26 1 38 17 60 1 39 17 61 1 40 18 23 1 41 18 17 1 42 18 62 1 43 18 63 1 44 19 64 1 45 19 65 1 46 20 23 1 47 20 21 1 48 21 66 1 49 21 67 1 50 21 68 1 51 22 20 1 52 22 69 1 53 22 70 1 54 22 71 1 55 23 25 1 56 24 20 1 57 24 72 1 58 24 73 1 59 24 74 1 60 25 19 1 61 25 75 1 62 25 76 1 63 26 27 1 64 26 19 1 65 27 16 ar 66 28 15 ar 67 28 27 ar 68 28 77 1 69 30 13 1 70 31 13 1 71 31 78 1 72 31 79 1 73 32 12 ar 74 32 30 1 75 33 32 ar 76 33 80 1 77 34 35 ar 78 34 33 ar 79 34 81 1 80 35 11 ar 81 35 82 1 82 36 31 1 83 36 37 am 84 37 38 2 85 39 37 am 86 39 1 1 87 39 83 1 88 40 2 1 89 40 84 1 90 40 85 1 91 41 10 2 92 42 86 1 93 42 87 1