@MOLECULE n-{[(2s)-1-{[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]carbonyl}-2-piperidinyl]methyl}-1-benzofuran-4-carboxamide 58 62 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 1.1689 3.0699 1.0456 S.2 1 UNL1 0.1468 2 F 6.9827 0.4312 -0.8488 F 1 UNL1 -0.1756 3 O 0.7604 -0.6207 -1.7843 O.2 1 UNL1 -0.5409 4 O -3.0122 -2.5333 0.3215 O.2 1 UNL1 -0.5489 5 O -4.8666 2.0515 0.6989 O.2 1 UNL1 -0.2352 6 N 0.6794 -1.7113 0.1939 N.am 1 UNL1 -0.4755 7 N -1.5647 -2.4154 -1.4115 N.am 1 UNL1 -0.5745 8 N -0.6103 1.2528 0.5173 N.ar 1 UNL1 -0.3713 9 C 0.6886 -3.0009 -0.5188 C.3 1 UNL1 0.0619 10 C 1.4437 -4.0581 0.3114 C.3 1 UNL1 -0.2959 11 C 0.9410 -4.1295 1.7569 C.3 1 UNL1 -0.2604 12 C 1.0194 -2.7425 2.4032 C.3 1 UNL1 -0.2780 13 C 0.1959 -1.7354 1.5830 C.3 1 UNL1 -0.0696 14 C -0.7532 -3.4996 -0.8543 C.3 1 UNL1 -0.1158 15 C 0.6630 -0.5643 -0.5697 C.2 1 UNL1 0.5951 16 C 0.6298 0.7519 0.1232 C.ar 1 UNL1 0.0026 17 C -2.6030 -1.9109 -0.6426 C.2 1 UNL1 0.5899 18 C 1.7095 1.5686 0.3258 C.ar 1 UNL1 -0.1526 19 C -3.1776 -0.6009 -1.0469 C.ar 1 UNL1 -0.0864 20 C -0.5221 2.4626 1.0133 C.ar 1 UNL1 0.1513 21 C 3.0959 1.2928 0.0247 C.ar 1 UNL1 -0.0429 22 C -3.7971 0.1653 -0.0625 C.ar 1 UNL1 -0.0131 23 C -3.0978 -0.0791 -2.3365 C.ar 1 UNL1 -0.1389 24 C -4.2942 1.4484 -0.4060 C.ar 1 UNL1 0.1237 25 C -1.6594 3.2596 1.4930 C.3 1 UNL1 -0.4530 26 C 3.7556 0.2703 0.7184 C.ar 1 UNL1 -0.0888 27 C 3.7593 2.0140 -0.9745 C.ar 1 UNL1 -0.0780 28 C -4.0947 -0.0034 1.3453 C.ar 1 UNL1 -0.2066 29 C -3.5964 1.1964 -2.6411 C.ar 1 UNL1 -0.1218 30 C -4.2046 1.9949 -1.6750 C.ar 1 UNL1 -0.1799 31 C -4.7260 1.1335 1.7415 C.ar 1 UNL1 0.0039 32 C 5.0820 -0.0317 0.4289 C.ar 1 UNL1 -0.2221 33 C 5.0864 1.7265 -1.2801 C.ar 1 UNL1 -0.2231 34 C 5.7185 0.7089 -0.5670 C.ar 1 UNL1 0.2164 35 H 1.2429 -2.8461 -1.4896 H 1 UNL1 0.1663 36 H 2.5246 -3.8094 0.3089 H 1 UNL1 0.1531 37 H 1.3581 -5.0453 -0.1775 H 1 UNL1 0.1400 38 H 1.5419 -4.8563 2.3334 H 1 UNL1 0.1337 39 H -0.0992 -4.5072 1.7896 H 1 UNL1 0.1437 40 H 0.6394 -2.7738 3.4405 H 1 UNL1 0.1399 41 H 2.0729 -2.4109 2.4664 H 1 UNL1 0.1446 42 H -0.8883 -2.0134 1.5997 H 1 UNL1 0.1641 43 H 0.2687 -0.7225 2.0346 H 1 UNL1 0.1453 44 H -1.2451 -3.9242 0.0525 H 1 UNL1 0.1759 45 H -0.6943 -4.3229 -1.6000 H 1 UNL1 0.1440 46 H -1.0867 -1.8243 -2.0878 H 1 UNL1 0.3297 47 H -2.6390 -0.6627 -3.1357 H 1 UNL1 0.1632 48 H -1.5491 3.5789 2.5409 H 1 UNL1 0.1718 49 H -1.8225 4.1649 0.8838 H 1 UNL1 0.1762 50 H -2.6051 2.6795 1.4363 H 1 UNL1 0.1995 51 H 3.2211 -0.2969 1.4818 H 1 UNL1 0.1622 52 H 3.2313 2.7919 -1.5285 H 1 UNL1 0.1657 53 H -3.8492 -0.8855 1.9088 H 1 UNL1 0.1987 54 H -3.4986 1.5710 -3.6600 H 1 UNL1 0.1577 55 H -4.5859 2.9842 -1.9011 H 1 UNL1 0.1647 56 H -5.1483 1.4940 2.6507 H 1 UNL1 0.1675 57 H 5.6015 -0.8255 0.9618 H 1 UNL1 0.1746 58 H 5.6087 2.2778 -2.0598 H 1 UNL1 0.1755 @BOND 1 54 29 1 2 47 23 1 3 29 23 ar 4 29 30 ar 5 23 19 ar 6 46 7 1 7 58 33 1 8 55 30 1 9 3 15 2 10 30 24 ar 11 45 14 1 12 52 27 1 13 35 9 1 14 7 14 1 15 7 17 am 16 33 27 ar 17 33 34 ar 18 19 17 1 19 19 22 ar 20 27 21 ar 21 14 9 1 22 14 44 1 23 2 34 1 24 17 4 2 25 15 16 1 26 15 6 am 27 34 32 ar 28 9 6 1 29 9 10 1 30 24 22 ar 31 24 5 ar 32 37 10 1 33 22 28 ar 34 21 18 1 35 21 26 ar 36 16 18 ar 37 16 8 ar 38 6 13 1 39 36 10 1 40 10 11 1 41 18 1 ar 42 32 26 ar 43 32 57 1 44 8 20 ar 45 5 31 ar 46 26 51 1 47 49 25 1 48 20 1 ar 49 20 25 1 50 28 31 ar 51 28 53 1 52 50 25 1 53 25 48 1 54 13 42 1 55 13 43 1 56 13 12 1 57 31 56 1 58 11 39 1 59 11 38 1 60 11 12 1 61 12 41 1 62 12 40 1