@MOLECULE n-(4-{3-[methyl(2-quinolinylmethyl)amino]-3-phenoxypropoxy}phenyl)methanesulfonamide 64 67 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 7.6378 -1.4890 -0.1226 S.O2 1 UNL1 2.3902 2 O -1.3959 1.2007 -1.2938 O.3 1 UNL1 -0.4110 3 O 1.9692 2.1386 0.7634 O.3 1 UNL1 -0.3504 4 O 9.0511 -1.4411 0.1661 O.2 1 UNL1 -0.9066 5 O 6.7759 -2.4619 0.4952 O.2 1 UNL1 -0.9023 6 N -2.8146 2.5441 -0.0613 N.3 1 UNL1 -0.4847 7 N -4.1480 0.1632 1.6828 N.ar 1 UNL1 -0.4157 8 N 7.1038 0.1184 0.2876 N.pl3 1 UNL1 -0.8607 9 C -1.6280 1.6991 0.0304 C.3 1 UNL1 0.2802 10 C -0.3013 2.4030 0.3649 C.3 1 UNL1 -0.3543 11 C -3.6878 2.4736 1.1249 C.3 1 UNL1 -0.1018 12 C 0.8122 1.3587 0.4472 C.3 1 UNL1 -0.0296 13 C -2.6057 3.9028 -0.5716 C.3 1 UNL1 -0.2445 14 C -4.5098 1.2068 0.9562 C.ar 1 UNL1 0.2009 15 C -5.5750 1.1690 0.0050 C.ar 1 UNL1 -0.2233 16 C -2.2649 0.2191 -1.6989 C.ar 1 UNL1 0.2568 17 C -4.8148 -1.0273 1.5043 C.ar 1 UNL1 0.1635 18 C -5.8734 -1.1567 0.5708 C.ar 1 UNL1 -0.0887 19 C -6.2458 -0.0090 -0.1830 C.ar 1 UNL1 -0.0863 20 C 3.1754 1.5189 0.6531 C.ar 1 UNL1 0.1966 21 C -3.0755 0.5012 -2.7998 C.ar 1 UNL1 -0.2130 22 C -2.2488 -1.0375 -1.0899 C.ar 1 UNL1 -0.2492 23 C -4.4009 -2.1557 2.2708 C.ar 1 UNL1 -0.1509 24 C -6.5018 -2.4187 0.4129 C.ar 1 UNL1 -0.1311 25 C 4.2592 2.3949 0.8265 C.ar 1 UNL1 -0.1928 26 C 3.3745 0.1617 0.4174 C.ar 1 UNL1 -0.2332 27 C 5.7670 0.5304 0.4637 C.ar 1 UNL1 0.1902 28 C -5.0273 -3.3604 2.0904 C.ar 1 UNL1 -0.1355 29 C -6.0850 -3.4944 1.1545 C.ar 1 UNL1 -0.1603 30 C 5.5471 1.8996 0.7334 C.ar 1 UNL1 -0.2001 31 C 4.6745 -0.3336 0.3301 C.ar 1 UNL1 -0.2066 32 C -3.8923 -0.5094 -3.2974 C.ar 1 UNL1 -0.1127 33 C -3.0748 -2.0329 -1.6044 C.ar 1 UNL1 -0.1045 34 C -3.8953 -1.7711 -2.7012 C.ar 1 UNL1 -0.2001 35 C 7.3871 -1.5562 -1.8732 C.3 1 UNL1 -0.7460 36 H 7.8022 0.7190 0.7260 H 1 UNL1 0.3228 37 H -1.8235 0.8382 0.7233 H 1 UNL1 0.1519 38 H -0.3912 2.9580 1.3167 H 1 UNL1 0.1631 39 H -0.0434 3.1535 -0.4095 H 1 UNL1 0.1735 40 H -4.3608 3.3574 1.1712 H 1 UNL1 0.1525 41 H -3.1224 2.4533 2.0856 H 1 UNL1 0.1519 42 H 0.6511 0.6272 1.2580 H 1 UNL1 0.1303 43 H 0.9495 0.8411 -0.5209 H 1 UNL1 0.1461 44 H -1.9976 3.8469 -1.4946 H 1 UNL1 0.1599 45 H -2.1103 4.5822 0.1388 H 1 UNL1 0.1195 46 H -3.5803 4.3359 -0.8562 H 1 UNL1 0.1431 47 H -5.8029 2.0631 -0.5690 H 1 UNL1 0.1744 48 H -7.0543 -0.0917 -0.9086 H 1 UNL1 0.1602 49 H -3.0644 1.4954 -3.2368 H 1 UNL1 0.1685 50 H -1.6102 -1.2309 -0.2337 H 1 UNL1 0.1647 51 H -3.5867 -2.0243 2.9836 H 1 UNL1 0.1744 52 H -7.3124 -2.5144 -0.3077 H 1 UNL1 0.1546 53 H 4.0702 3.4472 1.0279 H 1 UNL1 0.1678 54 H 2.5383 -0.5239 0.3112 H 1 UNL1 0.1643 55 H -4.7225 -4.2353 2.6634 H 1 UNL1 0.1534 56 H -6.5589 -4.4674 1.0372 H 1 UNL1 0.1539 57 H 6.3936 2.5711 0.8599 H 1 UNL1 0.1565 58 H 4.8059 -1.4088 0.1894 H 1 UNL1 0.1871 59 H -4.5340 -0.3128 -4.1544 H 1 UNL1 0.1475 60 H -3.0810 -3.0197 -1.1445 H 1 UNL1 0.1487 61 H -4.5403 -2.5533 -3.0920 H 1 UNL1 0.1497 62 H 7.4949 -2.5806 -2.2563 H 1 UNL1 0.1911 63 H 8.1097 -0.9331 -2.4186 H 1 UNL1 0.1921 64 H 6.3836 -1.2141 -2.1656 H 1 UNL1 0.1934 @BOND 1 59 32 1 2 32 21 ar 3 32 34 ar 4 49 21 1 5 61 34 1 6 21 16 ar 7 34 33 ar 8 63 35 1 9 62 35 1 10 64 35 1 11 35 1 1 12 16 2 1 13 16 22 ar 14 33 60 1 15 33 22 ar 16 44 13 1 17 2 9 1 18 22 50 1 19 48 19 1 20 46 13 1 21 13 6 1 22 13 45 1 23 47 15 1 24 43 12 1 25 39 10 1 26 52 24 1 27 19 15 ar 28 19 18 ar 29 1 4 2 30 1 8 1 31 1 5 2 32 6 9 1 33 6 11 1 34 15 14 ar 35 9 10 1 36 9 37 1 37 58 31 1 38 8 27 1 39 8 36 1 40 54 26 1 41 31 26 ar 42 31 27 ar 43 10 12 1 44 10 38 1 45 24 18 ar 46 24 29 ar 47 26 20 ar 48 12 3 1 49 12 42 1 50 27 30 ar 51 18 17 ar 52 20 3 1 53 20 25 ar 54 30 25 ar 55 30 57 1 56 25 53 1 57 14 11 1 58 14 7 ar 59 56 29 1 60 11 40 1 61 11 41 1 62 29 28 ar 63 17 7 ar 64 17 23 ar 65 28 23 ar 66 28 55 1 67 23 51 1