@MOLECULE 1-(4-methoxy-3,5-dimethylbenzyl)-4-(3-(ethylamino)-2-pyridyl)piperazine 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.3651 -0.7021 0.5293 O.3 1 UNL1111111111 -0.3456 2 N -0.3471 0.5896 -1.0688 N.3 1 UNL1111111111 -0.4057 3 N 2.2518 -0.1651 -0.1512 N.pl3 1 UNL1111111111 -0.4351 4 N 3.3941 -2.2637 0.1051 N.ar 1 UNL1111111111 -0.3794 5 N 4.6597 1.1914 0.0792 N.pl3 1 UNL1111111111 -0.5082 6 C -0.0986 0.2610 0.3572 C.3 1 UNL1111111111 -0.1221 7 C 0.8764 1.1648 -1.6826 C.3 1 UNL1111111111 -0.1184 8 C 1.0393 -0.7810 0.4431 C.3 1 UNL1111111111 -0.0984 9 C 2.0148 0.1226 -1.5916 C.3 1 UNL1111111111 -0.1132 10 C -1.4796 1.5427 -1.2060 C.3 1 UNL1111111111 -0.1308 11 C 3.4487 -0.9278 0.0460 C.ar 1 UNL1111111111 0.2049 12 C -2.7634 0.9247 -0.7143 C.ar 1 UNL1111111111 -0.0022 13 C 4.6682 -0.1926 0.2432 C.ar 1 UNL1111111111 0.1347 14 C -3.6378 1.6869 0.0604 C.ar 1 UNL1111111111 -0.2204 15 C -3.0858 -0.3876 -1.0595 C.ar 1 UNL1111111111 -0.1820 16 C -4.8394 1.1386 0.5099 C.ar 1 UNL1111111111 0.0045 17 C -4.2791 -0.9592 -0.6189 C.ar 1 UNL1111111111 0.0010 18 C -5.1380 -0.1849 0.1690 C.ar 1 UNL1111111111 0.1124 19 C 5.8263 -0.9350 0.5014 C.ar 1 UNL1111111111 -0.2213 20 C 4.5237 -2.9558 0.3619 C.ar 1 UNL1111111111 -0.0163 21 C 5.7542 -2.3264 0.5567 C.ar 1 UNL1111111111 -0.1812 22 C -5.7776 1.9493 1.3335 C.3 1 UNL1111111111 -0.4443 23 C -4.6222 -2.3607 -0.9833 C.3 1 UNL1111111111 -0.4430 24 C 5.6997 1.9797 0.7696 C.3 1 UNL1111111111 -0.0599 25 C 5.2748 3.4488 0.8269 C.3 1 UNL1111111111 -0.4564 26 C -6.3183 -1.3809 1.7805 C.3 1 UNL1111111111 -0.1985 27 H -1.0281 -0.1784 0.7816 H 1 UNL1111111111 0.1501 28 H 0.1580 1.1528 0.9660 H 1 UNL1111111111 0.1220 29 H 1.1965 2.1137 -1.2030 H 1 UNL1111111111 0.1189 30 H 0.6662 1.3793 -2.7522 H 1 UNL1111111111 0.1386 31 H 1.2476 -1.0366 1.5033 H 1 UNL1111111111 0.1426 32 H 0.7452 -1.7222 -0.0728 H 1 UNL1111111111 0.1536 33 H 1.7392 -0.7944 -2.1585 H 1 UNL1111111111 0.1481 34 H 2.9439 0.5286 -2.0431 H 1 UNL1111111111 0.1424 35 H -1.5969 1.7748 -2.2925 H 1 UNL1111111111 0.1530 36 H -1.2843 2.5107 -0.6934 H 1 UNL1111111111 0.1217 37 H -3.3889 2.7131 0.3188 H 1 UNL1111111111 0.1554 38 H -2.3883 -0.9668 -1.6685 H 1 UNL1111111111 0.1814 39 H 6.7789 -0.4361 0.6535 H 1 UNL1111111111 0.1627 40 H 3.7247 1.6039 0.1062 H 1 UNL1111111111 0.3116 41 H 4.4115 -4.0426 0.4059 H 1 UNL1111111111 0.1711 42 H -6.7917 1.5189 1.3462 H 1 UNL1111111111 0.1687 43 H -5.4360 2.0158 2.3763 H 1 UNL1111111111 0.1550 44 H -5.8736 2.9756 0.9522 H 1 UNL1111111111 0.1562 45 H -5.6967 -2.5680 -0.8626 H 1 UNL1111111111 0.1658 46 H -4.3696 -2.5824 -2.0303 H 1 UNL1111111111 0.1588 47 H -4.0737 -3.0787 -0.3560 H 1 UNL1111111111 0.1575 48 H 6.6471 -2.9118 0.7526 H 1 UNL1111111111 0.1602 49 H 5.8968 1.5944 1.7948 H 1 UNL1111111111 0.1277 50 H 6.6471 1.8740 0.1910 H 1 UNL1111111111 0.1430 51 H 5.0647 3.8432 -0.1762 H 1 UNL1111111111 0.1585 52 H 4.3742 3.5903 1.4362 H 1 UNL1111111111 0.1512 53 H 6.0675 4.0671 1.2626 H 1 UNL1111111111 0.1495 54 H -7.3515 -1.7231 1.9103 H 1 UNL1111111111 0.1441 55 H -6.0327 -0.6938 2.5825 H 1 UNL1111111111 0.1270 56 H -5.6302 -2.2304 1.7338 H 1 UNL1111111111 0.1286 @BOND 1 1 18 1 2 1 26 1 3 2 6 1 4 2 7 1 5 2 10 1 6 3 8 1 7 3 9 1 8 3 11 1 9 4 11 ar 10 4 20 ar 11 5 13 1 12 5 24 1 13 5 40 1 14 6 8 1 15 6 27 1 16 6 28 1 17 7 9 1 18 7 29 1 19 7 30 1 20 8 31 1 21 8 32 1 22 9 33 1 23 9 34 1 24 10 12 1 25 10 35 1 26 10 36 1 27 11 13 ar 28 12 14 ar 29 12 15 ar 30 13 19 ar 31 14 16 ar 32 14 37 1 33 15 17 ar 34 15 38 1 35 16 18 ar 36 16 22 1 37 17 18 ar 38 17 23 1 39 19 21 ar 40 19 39 1 41 20 21 ar 42 20 41 1 43 21 48 1 44 22 42 1 45 22 43 1 46 22 44 1 47 23 45 1 48 23 46 1 49 23 47 1 50 24 25 1 51 24 49 1 52 24 50 1 53 25 51 1 54 25 52 1 55 25 53 1 56 26 54 1 57 26 55 1 58 26 56 1