@MOLECULE (2r)-2-{[2-amino-6-(2-methylphenyl)-3-quinolinyl]methyl}-n-(cyclohexylmethyl)pentanamide 70 73 0 0 0 SMALL GASTEIGER @ATOM 1 C -5.4430 1.4001 0.4220 C.ar 1 UNL1111111111 -0.0534 2 C -6.2012 1.9758 -0.6068 C.ar 1 UNL1111111111 0.0484 3 C -7.0283 3.0633 -0.3189 C.ar 1 UNL1111111111 -0.1894 4 C -4.5614 0.2590 0.1433 C.ar 1 UNL1111111111 -0.0419 5 C -5.1134 -1.0510 0.1440 C.ar 1 UNL1111111111 -0.1185 6 C -3.2290 0.4569 -0.1270 C.ar 1 UNL1111111111 -0.1210 7 C -0.2408 -1.5971 -1.0036 C.ar 1 UNL1111111111 -0.1460 8 C -6.1160 1.4422 -1.9957 C.3 1 UNL1111111111 -0.4533 9 C 1.9894 -1.3604 0.0876 C.3 1 UNL1111111111 -0.1870 10 C 3.4663 -1.1987 -0.2554 C.2 1 UNL1111111111 0.5769 11 C 5.8676 1.4909 0.3404 C.3 1 UNL1111111111 -0.1239 12 C 5.4677 3.7539 -0.6844 C.3 1 UNL1111111111 -0.2665 13 C 7.6854 3.2302 0.4056 C.3 1 UNL1111111111 -0.2614 14 C 5.1791 2.2526 -0.8038 C.3 1 UNL1111111111 -0.2723 15 C 6.9798 4.0142 -0.7092 C.3 1 UNL1111111111 -0.2630 16 C 7.3858 1.7298 0.2869 C.3 1 UNL1111111111 -0.2775 17 C 5.5836 -0.0234 0.2415 C.3 1 UNL1111111111 -0.0891 18 N 4.1673 -0.2945 0.5117 N.am 1 UNL1111111111 -0.6088 19 O 4.0070 -1.8262 -1.1441 O.2 1 UNL1111111111 -0.5474 20 C 1.8310 -2.6232 0.9465 C.3 1 UNL1111111111 -0.2780 21 C 2.3338 -2.4001 2.3790 C.3 1 UNL1111111111 -0.2538 22 C 2.1285 -3.6609 3.2176 C.3 1 UNL1111111111 -0.4366 23 C 1.2229 -1.4562 -1.2470 C.3 1 UNL1111111111 -0.2652 24 C -0.8971 -2.8868 -1.0378 C.ar 1 UNL1111111111 0.3924 25 N -2.1953 -3.0549 -0.7449 N.ar 1 UNL1111111111 -0.5129 26 N -0.2233 -4.0300 -1.4244 N.pl3 1 UNL1111111111 -0.6056 27 C -1.0088 -0.5033 -0.7081 C.ar 1 UNL1111111111 -0.0714 28 C -2.3945 -0.6466 -0.4263 C.ar 1 UNL1111111111 -0.1473 29 C -2.9488 -1.9514 -0.4461 C.ar 1 UNL1111111111 0.2189 30 C -4.3314 -2.1367 -0.1429 C.ar 1 UNL1111111111 -0.1728 31 C -5.5167 1.9096 1.7186 C.ar 1 UNL1111111111 -0.1346 32 C -6.3458 2.9934 1.9969 C.ar 1 UNL1111111111 -0.1729 33 C -7.1005 3.5693 0.9769 C.ar 1 UNL1111111111 -0.1344 34 H -7.6195 3.5188 -1.1102 H 1 UNL1111111111 0.1518 35 H -6.1718 -1.1684 0.3778 H 1 UNL1111111111 0.1598 36 H -2.8029 1.4591 -0.1203 H 1 UNL1111111111 0.1579 37 H -6.2314 0.3469 -2.0170 H 1 UNL1111111111 0.1676 38 H -6.8794 1.8615 -2.6620 H 1 UNL1111111111 0.1521 39 H -5.1333 1.6632 -2.4418 H 1 UNL1111111111 0.1659 40 H 1.6027 -0.4803 0.6543 H 1 UNL1111111111 0.1543 41 H 5.4803 1.8746 1.3140 H 1 UNL1111111111 0.1339 42 H 4.9748 4.3015 -1.5082 H 1 UNL1111111111 0.1319 43 H 5.0309 4.1518 0.2499 H 1 UNL1111111111 0.1330 44 H 8.7761 3.4031 0.3580 H 1 UNL1111111111 0.1316 45 H 7.3602 3.6040 1.3942 H 1 UNL1111111111 0.1340 46 H 5.5337 1.8739 -1.7810 H 1 UNL1111111111 0.1445 47 H 4.0897 2.0692 -0.7877 H 1 UNL1111111111 0.1357 48 H 7.3943 3.7242 -1.6930 H 1 UNL1111111111 0.1383 49 H 7.1804 5.0951 -0.5990 H 1 UNL1111111111 0.1293 50 H 7.8936 1.1776 1.0981 H 1 UNL1111111111 0.1327 51 H 7.7999 1.3370 -0.6607 H 1 UNL1111111111 0.1434 52 H 5.8542 -0.4107 -0.7703 H 1 UNL1111111111 0.1723 53 H 6.2086 -0.5854 0.9720 H 1 UNL1111111111 0.1360 54 H 3.7365 0.2282 1.2528 H 1 UNL1111111111 0.3078 55 H 0.7636 -2.9210 0.9812 H 1 UNL1111111111 0.1546 56 H 2.3739 -3.4695 0.4824 H 1 UNL1111111111 0.1507 57 H 3.4064 -2.1265 2.3710 H 1 UNL1111111111 0.1390 58 H 1.7990 -1.5498 2.8429 H 1 UNL1111111111 0.1343 59 H 1.0704 -3.9439 3.2656 H 1 UNL1111111111 0.1468 60 H 2.6806 -4.5127 2.8043 H 1 UNL1111111111 0.1444 61 H 2.4754 -3.5144 4.2466 H 1 UNL1111111111 0.1414 62 H 1.6377 -2.2786 -1.8685 H 1 UNL1111111111 0.1710 63 H 1.4289 -0.5486 -1.8577 H 1 UNL1111111111 0.1636 64 H 0.7751 -4.0446 -1.4046 H 1 UNL1111111111 0.3081 65 H -0.6996 -4.9101 -1.3617 H 1 UNL1111111111 0.3142 66 H -0.5717 0.4960 -0.6783 H 1 UNL1111111111 0.1606 67 H -4.7283 -3.1514 -0.1525 H 1 UNL1111111111 0.1755 68 H -4.9231 1.4559 2.5110 H 1 UNL1111111111 0.1559 69 H -6.4029 3.3892 3.0079 H 1 UNL1111111111 0.1495 70 H -7.7476 4.4170 1.1921 H 1 UNL1111111111 0.1459 @BOND 1 1 2 ar 2 1 31 ar 3 2 3 ar 4 3 33 ar 5 3 34 1 6 4 1 1 7 5 4 ar 8 5 35 1 9 6 4 ar 10 6 36 1 11 7 27 ar 12 8 2 1 13 8 37 1 14 8 38 1 15 8 39 1 16 9 10 1 17 9 40 1 18 10 18 am 19 10 19 2 20 11 16 1 21 11 41 1 22 12 15 1 23 12 42 1 24 12 43 1 25 13 44 1 26 13 45 1 27 14 11 1 28 14 12 1 29 14 46 1 30 14 47 1 31 15 13 1 32 15 48 1 33 15 49 1 34 16 13 1 35 16 50 1 36 16 51 1 37 17 11 1 38 17 52 1 39 17 53 1 40 18 17 1 41 18 54 1 42 20 9 1 43 20 21 1 44 20 55 1 45 20 56 1 46 21 22 1 47 21 57 1 48 21 58 1 49 22 59 1 50 22 60 1 51 22 61 1 52 23 7 1 53 23 9 1 54 23 62 1 55 23 63 1 56 24 7 ar 57 24 25 ar 58 25 29 ar 59 26 24 1 60 26 64 1 61 26 65 1 62 27 28 ar 63 27 66 1 64 28 6 ar 65 29 28 ar 66 29 30 ar 67 30 5 ar 68 30 67 1 69 31 32 ar 70 31 68 1 71 32 33 ar 72 32 69 1 73 33 70 1