@MOLECULE 1-[(2s,4r)-4-anilino-2-methyl-6-[4-(1-piperidinylmethyl)phenyl]-3,4-dihydro-1(2h)-quinolinyl]ethanone 69 73 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.9613 -0.0782 -1.4195 O.2 1 UNL111111111 -0.5095 2 C -5.3810 0.8705 -0.7999 C.2 1 UNL111111111 0.6304 3 C -6.7025 1.5054 -1.0988 C.3 1 UNL111111111 -0.5157 4 N -4.5666 1.5238 0.1852 N.am 1 UNL111111111 -0.5343 5 C -4.8687 1.2922 1.6231 C.3 1 UNL111111111 0.1104 6 C -6.3299 1.5882 1.9638 C.3 1 UNL111111111 -0.4732 7 C -3.1511 1.3755 -0.0379 C.ar 1 UNL111111111 0.1592 8 C -2.4158 0.4370 0.6970 C.ar 1 UNL111111111 -0.1289 9 C -3.1299 -0.6126 1.5158 C.3 1 UNL111111111 0.0784 10 N -3.3765 -1.7840 0.6244 N.pl3 1 UNL111111111 -0.5403 11 C -2.2062 -2.4495 0.1720 C.ar 1 UNL111111111 0.2123 12 C -2.0519 -2.7261 -1.1979 C.ar 1 UNL111111111 -0.2501 13 C -0.9260 -3.4087 -1.6412 C.ar 1 UNL111111111 -0.0880 14 C 0.0532 -3.8194 -0.7369 C.ar 1 UNL111111111 -0.2180 15 C -0.1103 -3.5630 0.6233 C.ar 1 UNL111111111 -0.0944 16 C -1.2334 -2.8854 1.0858 C.ar 1 UNL111111111 -0.2435 17 C -4.4967 -0.1408 2.0648 C.3 1 UNL111111111 -0.3552 18 C -2.5218 2.2202 -0.9558 C.ar 1 UNL111111111 -0.1732 19 C -1.1484 2.1075 -1.1521 C.ar 1 UNL111111111 -0.1275 20 C -0.4085 1.1746 -0.4221 C.ar 1 UNL111111111 -0.0238 21 C -1.0378 0.3654 0.5261 C.ar 1 UNL111111111 -0.1354 22 C 1.0206 0.9723 -0.6842 C.ar 1 UNL111111111 -0.0203 23 C 1.9473 1.9915 -0.4578 C.ar 1 UNL111111111 -0.1463 24 C 3.2982 1.7625 -0.7002 C.ar 1 UNL111111111 -0.1443 25 C 3.7237 0.5203 -1.1752 C.ar 1 UNL111111111 -0.0051 26 C 2.7961 -0.4961 -1.4081 C.ar 1 UNL111111111 -0.1753 27 C 1.4460 -0.2715 -1.1596 C.ar 1 UNL111111111 -0.1385 28 C 5.1872 0.2834 -1.4402 C.3 1 UNL111111111 -0.1418 29 N 5.9752 0.6070 -0.2203 N.3 1 UNL111111111 -0.4166 30 C 7.4276 0.5758 -0.5279 C.3 1 UNL111111111 -0.1106 31 C 8.2191 1.0161 0.7178 C.3 1 UNL111111111 -0.2724 32 C 7.9175 0.0819 1.8947 C.3 1 UNL111111111 -0.2627 33 C 6.4069 0.0735 2.1540 C.3 1 UNL111111111 -0.2730 34 C 5.6476 -0.3360 0.8792 C.3 1 UNL111111111 -0.1138 35 H -6.8508 1.5611 -2.1911 H 1 UNL111111111 0.1871 36 H -7.5323 0.9055 -0.6986 H 1 UNL111111111 0.1787 37 H -6.7873 2.5252 -0.6989 H 1 UNL111111111 0.1811 38 H -4.2172 2.0262 2.1802 H 1 UNL111111111 0.1531 39 H -7.0198 0.8520 1.5387 H 1 UNL111111111 0.1515 40 H -6.4791 1.5827 3.0507 H 1 UNL111111111 0.1550 41 H -6.6267 2.5808 1.6011 H 1 UNL111111111 0.1608 42 H -4.4874 -0.1895 3.1690 H 1 UNL111111111 0.1555 43 H -5.2874 -0.8565 1.7586 H 1 UNL111111111 0.1722 44 H -3.1056 2.9483 -1.5150 H 1 UNL111111111 0.1656 45 H -2.4908 -0.9457 2.3741 H 1 UNL111111111 0.1542 46 H -0.4479 -0.3530 1.0984 H 1 UNL111111111 0.1706 47 H -4.0003 -1.5016 -0.1437 H 1 UNL111111111 0.2999 48 H -2.8056 -2.3914 -1.9083 H 1 UNL111111111 0.1661 49 H -1.3641 -2.7081 2.1489 H 1 UNL111111111 0.1565 50 H -0.8052 -3.6159 -2.7032 H 1 UNL111111111 0.1465 51 H 0.9366 -4.3416 -1.0902 H 1 UNL111111111 0.1466 52 H 0.6473 -3.8941 1.3313 H 1 UNL111111111 0.1417 53 H -0.6492 2.7377 -1.8877 H 1 UNL111111111 0.1627 54 H 1.6135 2.9570 -0.0841 H 1 UNL111111111 0.1533 55 H 0.7177 -1.0666 -1.3325 H 1 UNL111111111 0.1673 56 H 4.0366 2.5406 -0.5038 H 1 UNL111111111 0.1660 57 H 3.1222 -1.4652 -1.7781 H 1 UNL111111111 0.1503 58 H 5.3688 -0.7512 -1.8048 H 1 UNL111111111 0.1213 59 H 5.5211 0.9677 -2.2568 H 1 UNL111111111 0.1507 60 H 7.7738 -0.4244 -0.8633 H 1 UNL111111111 0.1106 61 H 7.6186 1.2892 -1.3586 H 1 UNL111111111 0.1324 62 H 4.5510 -0.2751 1.0644 H 1 UNL111111111 0.1474 63 H 5.8780 -1.3903 0.6196 H 1 UNL111111111 0.1107 64 H 9.2988 1.0295 0.4924 H 1 UNL111111111 0.1285 65 H 7.9371 2.0544 0.9821 H 1 UNL111111111 0.1515 66 H 8.2758 -0.9404 1.6763 H 1 UNL111111111 0.1323 67 H 8.4618 0.4120 2.7973 H 1 UNL111111111 0.1315 68 H 6.1535 -0.6145 2.9785 H 1 UNL111111111 0.1306 69 H 6.0736 1.0816 2.4701 H 1 UNL111111111 0.1512 @BOND 1 1 2 2 2 2 3 1 3 2 4 am 4 3 35 1 5 3 36 1 6 3 37 1 7 4 5 1 8 4 7 1 9 5 6 1 10 5 17 1 11 5 38 1 12 6 39 1 13 6 40 1 14 6 41 1 15 7 8 ar 16 7 18 ar 17 8 9 1 18 8 21 ar 19 9 10 1 20 9 17 1 21 9 45 1 22 10 11 1 23 10 47 1 24 11 12 ar 25 11 16 ar 26 12 13 ar 27 12 48 1 28 13 14 ar 29 13 50 1 30 14 15 ar 31 14 51 1 32 15 16 ar 33 15 52 1 34 16 49 1 35 17 42 1 36 17 43 1 37 18 19 ar 38 18 44 1 39 19 20 ar 40 19 53 1 41 20 21 ar 42 20 22 1 43 21 46 1 44 22 23 ar 45 22 27 ar 46 23 24 ar 47 23 54 1 48 24 25 ar 49 24 56 1 50 25 26 ar 51 25 28 1 52 26 27 ar 53 26 57 1 54 27 55 1 55 28 29 1 56 28 58 1 57 28 59 1 58 29 30 1 59 29 34 1 60 30 31 1 61 30 60 1 62 30 61 1 63 31 32 1 64 31 64 1 65 31 65 1 66 32 33 1 67 32 66 1 68 32 67 1 69 33 34 1 70 33 68 1 71 33 69 1 72 34 62 1 73 34 63 1