@MOLECULE n-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide 65 67 0 0 0 SMALL GASTEIGER @ATOM 1 C 8.6518 -2.8618 -0.5390 C.3 1 UNL1111 -0.4432 2 C 7.2209 -2.4405 -0.2140 C.3 1 UNL1111 -0.2539 3 C 6.7109 -1.4382 -1.2682 C.3 1 UNL1111 -0.1172 4 N 5.4274 -0.8649 -0.7940 N.3 1 UNL1111 -0.4319 5 C 5.2136 0.5033 -1.3317 C.3 1 UNL1111 -0.1340 6 C 6.1898 1.4561 -0.6913 C.ar 1 UNL1111 -0.0020 7 C 6.8585 2.4006 -1.4705 C.ar 1 UNL1111 -0.1837 8 C 7.7494 3.2897 -0.8718 C.ar 1 UNL1111 -0.1406 9 C 7.9783 3.2333 0.5014 C.ar 1 UNL1111 -0.1604 10 C 7.3100 2.2889 1.2800 C.ar 1 UNL1111 -0.1483 11 C 6.4142 1.4047 0.6863 C.ar 1 UNL1111 -0.1406 12 C 4.2827 -1.7516 -1.1231 C.3 1 UNL1111 -0.1189 13 C 3.0555 -1.3288 -0.3589 C.ar 1 UNL1111 -0.0430 14 C 1.7980 -1.4191 -0.9553 C.ar 1 UNL1111 -0.1414 15 C 0.6550 -1.0446 -0.2548 C.ar 1 UNL1111 -0.1916 16 C 0.7773 -0.5658 1.0541 C.ar 1 UNL1111 0.2004 17 N -0.3479 -0.1222 1.7984 N.am 1 UNL1111 -0.5819 18 C -1.6234 -0.6536 1.6429 C.2 1 UNL1111 0.5920 19 O -1.8628 -1.5341 0.8509 O.2 1 UNL1111 -0.4945 20 C -2.6838 -0.0465 2.5475 C.3 1 UNL1111 -0.3932 21 C -3.9528 0.0939 1.7639 C.ar 1 UNL1111 0.0647 22 C -4.3359 1.3379 1.2598 C.ar 1 UNL1111 -0.2000 23 C -5.5085 1.4520 0.5150 C.ar 1 UNL1111 -0.0666 24 C -6.2911 0.3265 0.2721 C.ar 1 UNL1111 -0.4006 25 C -5.9188 -0.9126 0.7882 C.ar 1 UNL1111 -0.0706 26 C -4.7449 -1.0322 1.5274 C.ar 1 UNL1111 -0.1685 27 S -7.7742 0.4687 -0.6794 S.O2 1 UNL1111 2.1995 28 O -8.7021 -0.5332 -0.1965 O.2 1 UNL1111 -0.9057 29 O -8.1388 1.8708 -0.7120 O.2 1 UNL1111 -0.9109 30 C -7.2492 -0.0122 -2.3330 C.3 1 UNL1111 -0.5563 31 C -8.4173 -0.0003 -3.3088 C.3 1 UNL1111 -0.4155 32 C 2.0398 -0.4748 1.6631 C.ar 1 UNL1111 -0.2428 33 C 3.1679 -0.8666 0.9548 C.ar 1 UNL1111 -0.0958 34 H 8.7264 -3.3053 -1.5378 H 1 UNL1111 0.1408 35 H 9.3390 -2.0082 -0.5031 H 1 UNL1111 0.1450 36 H 9.0174 -3.6044 0.1793 H 1 UNL1111 0.1435 37 H 6.5585 -3.3228 -0.1639 H 1 UNL1111 0.1343 38 H 7.1723 -1.9721 0.7895 H 1 UNL1111 0.1523 39 H 7.4585 -0.6198 -1.3763 H 1 UNL1111 0.1469 40 H 6.6292 -1.9229 -2.2619 H 1 UNL1111 0.1147 41 H 5.2788 0.5406 -2.4406 H 1 UNL1111 0.1236 42 H 4.1753 0.8272 -1.0682 H 1 UNL1111 0.1645 43 H 6.6887 2.4467 -2.5434 H 1 UNL1111 0.1492 44 H 8.2674 4.0285 -1.4794 H 1 UNL1111 0.1466 45 H 8.6762 3.9254 0.9658 H 1 UNL1111 0.1459 46 H 7.4891 2.2420 2.3517 H 1 UNL1111 0.1467 47 H 5.8935 0.6570 1.2857 H 1 UNL1111 0.1666 48 H 4.0784 -1.7953 -2.2159 H 1 UNL1111 0.1233 49 H 4.5525 -2.7907 -0.8112 H 1 UNL1111 0.1557 50 H 1.6993 -1.7836 -1.9771 H 1 UNL1111 0.1533 51 H -0.3246 -1.1282 -0.7271 H 1 UNL1111 0.1841 52 H -0.1673 0.5607 2.5231 H 1 UNL1111 0.3135 53 H -2.8322 -0.7228 3.4209 H 1 UNL1111 0.1890 54 H -2.3699 0.9241 2.9796 H 1 UNL1111 0.1691 55 H -3.7235 2.2175 1.4418 H 1 UNL1111 0.1530 56 H -5.8077 2.4366 0.1367 H 1 UNL1111 0.1728 57 H -6.5423 -1.7998 0.6319 H 1 UNL1111 0.1696 58 H -4.4322 -2.0057 1.9038 H 1 UNL1111 0.1656 59 H -6.4528 0.6690 -2.6889 H 1 UNL1111 0.1686 60 H -6.7942 -1.0211 -2.3060 H 1 UNL1111 0.1693 61 H -8.0957 -0.3066 -4.3125 H 1 UNL1111 0.1422 62 H -9.2198 -0.6911 -3.0073 H 1 UNL1111 0.1602 63 H -8.8670 0.9989 -3.4098 H 1 UNL1111 0.1582 64 H 2.1386 -0.1111 2.6815 H 1 UNL1111 0.1550 65 H 4.1565 -0.8088 1.4177 H 1 UNL1111 0.1736 @BOND 1 1 34 1 2 1 35 1 3 1 36 1 4 2 1 1 5 2 37 1 6 2 38 1 7 3 4 1 8 3 2 1 9 3 39 1 10 3 40 1 11 5 6 1 12 5 4 1 13 5 41 1 14 5 42 1 15 6 7 ar 16 7 8 ar 17 7 43 1 18 8 44 1 19 9 8 ar 20 9 45 1 21 10 9 ar 22 10 46 1 23 11 10 ar 24 11 6 ar 25 11 47 1 26 12 4 1 27 12 13 1 28 12 48 1 29 12 49 1 30 13 14 ar 31 14 15 ar 32 14 50 1 33 15 51 1 34 16 15 ar 35 16 17 1 36 17 18 am 37 17 52 1 38 18 19 2 39 18 20 1 40 20 21 1 41 20 53 1 42 20 54 1 43 21 26 ar 44 22 23 ar 45 22 21 ar 46 22 55 1 47 23 24 ar 48 23 56 1 49 24 27 1 50 24 25 ar 51 25 57 1 52 26 25 ar 53 26 58 1 54 27 30 1 55 27 29 2 56 28 27 2 57 30 59 1 58 30 60 1 59 31 30 1 60 31 61 1 61 31 62 1 62 31 63 1 63 32 16 ar 64 32 64 1 65 33 13 ar 66 33 32 ar 67 33 65 1