@MOLECULE 5-chloro-n-(2-{[4-(2-oxo-1(2h)-pyridinyl)benzoyl]amino}ethyl)-2-thiophenecarboxamide 43 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 5.5032 -1.9474 0.1509 C.ar 1 UNL1 -0.1555 2 C 4.6040 -1.7225 1.1566 C.ar 1 UNL1 -0.2029 3 C 3.9156 -0.4816 0.9918 C.ar 1 UNL1 -0.1066 4 C 2.1151 3.2596 -0.5373 C.3 1 UNL1 -0.0867 5 C 1.0505 3.7677 0.4625 C.3 1 UNL1 -0.0868 6 C -0.4760 1.8666 0.8593 C.2 1 UNL1 0.6002 7 C -1.7991 1.2500 0.5832 C.ar 1 UNL1 -0.1536 8 C -1.8197 -0.1038 0.2431 C.ar 1 UNL1 -0.0611 9 C -3.0287 -0.7306 -0.0394 C.ar 1 UNL1 -0.1646 10 C -2.9849 1.9746 0.6923 C.ar 1 UNL1 -0.0946 11 C -6.3535 0.0258 -1.1044 C.ar 1 UNL1 0.0987 12 C -7.5654 -0.5278 -1.4141 C.ar 1 UNL1 -0.3265 13 C -7.0710 -2.4501 -0.0445 C.ar 1 UNL1 -0.3351 14 C 4.3036 0.2067 -0.1301 C.ar 1 UNL1 -0.3037 15 S 5.5352 -0.6526 -1.0061 S.2 1 UNL1 0.3889 16 C 3.8277 1.5072 -0.6198 C.2 1 UNL1 0.5996 17 O 4.4120 2.1553 -1.4728 O.2 1 UNL1 -0.5486 18 N 2.6638 1.9836 -0.0669 N.am 1 UNL1 -0.5927 19 N -0.2412 3.0991 0.2816 N.am 1 UNL1 -0.5963 20 O 0.3675 1.3297 1.5556 O.2 1 UNL1 -0.5496 21 C -4.2161 0.0073 0.0400 C.ar 1 UNL1 0.1916 22 C -4.2011 1.3559 0.4233 C.ar 1 UNL1 -0.2169 23 N -5.4640 -0.6225 -0.2704 N.ar 1 UNL1 -0.4036 24 C -7.9279 -1.7921 -0.8654 C.ar 1 UNL1 0.0024 25 C -5.7736 -1.9051 0.2992 C.ar 1 UNL1 0.5810 26 O -4.9375 -2.4183 1.0076 O.2 1 UNL1 -0.4944 27 CL 6.4799 -3.3106 0.0309 Cl 1 UNL1 -0.0127 28 H 4.4132 -2.3842 1.9896 H 1 UNL1 0.1802 29 H 3.1693 -0.1469 1.7034 H 1 UNL1 0.1771 30 H 1.6824 3.1342 -1.5562 H 1 UNL1 0.1473 31 H 2.9403 4.0054 -0.6412 H 1 UNL1 0.1647 32 H 0.9077 4.8638 0.3367 H 1 UNL1 0.1447 33 H 1.4052 3.6093 1.5124 H 1 UNL1 0.1766 34 H -0.8848 -0.6719 0.2069 H 1 UNL1 0.1799 35 H -3.0519 -1.7921 -0.2991 H 1 UNL1 0.1914 36 H -2.9674 3.0187 1.0064 H 1 UNL1 0.1593 37 H -6.0355 0.9926 -1.5140 H 1 UNL1 0.1650 38 H -8.2559 -0.0167 -2.0771 H 1 UNL1 0.1735 39 H -7.3005 -3.4173 0.4008 H 1 UNL1 0.1903 40 H 2.1118 1.4801 0.6184 H 1 UNL1 0.3456 41 H -0.8750 3.4924 -0.3925 H 1 UNL1 0.3110 42 H -5.1312 1.9098 0.5339 H 1 UNL1 0.1671 43 H -8.9025 -2.2121 -1.1228 H 1 UNL1 0.1560 @BOND 1 38 12 1 2 30 4 1 3 37 11 1 4 17 16 2 5 12 11 ar 6 12 24 ar 7 43 24 1 8 11 23 ar 9 15 14 ar 10 15 1 ar 11 24 13 ar 12 31 4 1 13 16 14 1 14 16 18 am 15 4 18 1 16 4 5 1 17 41 19 1 18 35 9 1 19 23 21 1 20 23 25 ar 21 14 3 ar 22 18 40 1 23 13 25 ar 24 13 39 1 25 9 21 ar 26 9 8 ar 27 27 1 1 28 21 22 ar 29 1 2 ar 30 34 8 1 31 8 7 ar 32 19 5 1 33 19 6 am 34 25 26 2 35 32 5 1 36 22 42 1 37 22 10 ar 38 5 33 1 39 7 10 ar 40 7 6 1 41 10 36 1 42 6 20 2 43 3 2 ar 44 3 29 1 45 2 28 1