@MOLECULE n-(4-chlorobenzyl)-7-methyl-2-(4-morpholinylmethyl)-4-oxo-4,7-dihydrothieno(2,3-b)pyridine-5-carboxamide 51 54 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -6.3552 -3.2982 1.3248 Cl 1 UNL1 -0.0991 2 S 3.7199 2.0800 0.7202 S.2 1 UNL1 0.1622 3 O 5.5484 -4.0621 0.5162 O.3 1 UNL1 -0.3890 4 O -0.2420 0.3069 -1.6244 O.2 1 UNL1 -0.5140 5 O -2.8768 2.9272 0.2342 O.2 1 UNL1 -0.6022 6 N 4.9049 -1.4862 -0.4509 N.3 1 UNL1 -0.3990 7 N 1.1290 3.1400 1.0000 N.ar 1 UNL1 -0.2560 8 N -2.6761 1.4456 -1.4669 N.am 1 UNL1 -0.5560 9 C 4.6753 -1.8435 0.9706 C.3 1 UNL1 -0.1639 10 C 6.0734 -2.2308 -0.9814 C.3 1 UNL1 -0.1669 11 C 5.1065 -0.0193 -0.6092 C.3 1 UNL1 -0.1038 12 C 4.4404 -3.3628 1.0528 C.3 1 UNL1 -0.0427 13 C 5.7708 -3.7354 -0.8423 C.3 1 UNL1 -0.0391 14 C 3.8199 0.6762 -0.3496 C.ar 1 UNL1 -0.1771 15 C 1.5505 1.2303 -0.4228 C.ar 1 UNL1 -0.2453 16 C 1.9848 2.2145 0.4502 C.ar 1 UNL1 0.0534 17 C 2.6016 0.3615 -0.8647 C.ar 1 UNL1 -0.0550 18 C 0.1538 1.1395 -0.8295 C.ar 1 UNL1 0.5214 19 C -0.7018 2.1414 -0.1995 C.ar 1 UNL1 -0.3941 20 C -0.2052 3.0782 0.6694 C.ar 1 UNL1 0.1543 21 C 1.6208 4.1705 1.9146 C.3 1 UNL1 -0.2511 22 C -2.1618 2.1949 -0.4390 C.2 1 UNL1 0.6246 23 C -4.1260 1.3742 -1.6539 C.3 1 UNL1 -0.0720 24 C -4.7016 0.1927 -0.9126 C.ar 1 UNL1 -0.0454 25 C -5.1562 -0.9249 -1.6120 C.ar 1 UNL1 -0.1379 26 C -4.7621 0.2276 0.4834 C.ar 1 UNL1 -0.1208 27 C -5.6760 -2.0183 -0.9196 C.ar 1 UNL1 -0.1745 28 C -5.2753 -0.8574 1.1885 C.ar 1 UNL1 -0.1761 29 C -5.7215 -1.9572 0.4660 C.ar 1 UNL1 0.0308 30 H 3.7693 -1.3061 1.3265 H 1 UNL1 0.1534 31 H 5.5180 -1.5517 1.6305 H 1 UNL1 0.1224 32 H 7.0198 -1.9855 -0.4564 H 1 UNL1 0.1243 33 H 6.2048 -1.9716 -2.0532 H 1 UNL1 0.1433 34 H 5.4113 0.1693 -1.6717 H 1 UNL1 0.1605 35 H 5.9391 0.3668 0.0213 H 1 UNL1 0.1258 36 H 4.4043 -3.7196 2.0966 H 1 UNL1 0.1371 37 H 3.5193 -3.6594 0.5189 H 1 UNL1 0.1369 38 H 4.8924 -4.0282 -1.4456 H 1 UNL1 0.1352 39 H 6.6399 -4.3592 -1.1113 H 1 UNL1 0.1352 40 H 2.4037 -0.4701 -1.5395 H 1 UNL1 0.2038 41 H -0.8739 3.8234 1.1400 H 1 UNL1 0.2010 42 H 2.3287 4.8504 1.4016 H 1 UNL1 0.1657 43 H 2.1313 3.7178 2.7867 H 1 UNL1 0.1672 44 H 0.7908 4.7877 2.3055 H 1 UNL1 0.1677 45 H -2.0995 0.7405 -1.9263 H 1 UNL1 0.3495 46 H -4.3355 1.3170 -2.7473 H 1 UNL1 0.1458 47 H -4.6006 2.3233 -1.2909 H 1 UNL1 0.1783 48 H -5.1045 -0.9521 -2.6995 H 1 UNL1 0.1572 49 H -4.3982 1.1112 1.0178 H 1 UNL1 0.1833 50 H -6.0314 -2.8945 -1.4596 H 1 UNL1 0.1692 51 H -5.3210 -0.8377 2.2764 H 1 UNL1 0.1713 @BOND 1 46 23 1 2 48 25 1 3 33 10 1 4 45 8 1 5 34 11 1 6 23 8 1 7 23 47 1 8 23 24 1 9 4 18 2 10 25 27 ar 11 25 24 ar 12 40 17 1 13 8 22 am 14 50 27 1 15 38 13 1 16 39 13 1 17 10 13 1 18 10 32 1 19 10 6 1 20 27 29 ar 21 24 26 ar 22 17 15 ar 23 17 14 ar 24 13 3 1 25 18 15 ar 26 18 19 ar 27 11 6 1 28 11 14 1 29 11 35 1 30 6 9 1 31 22 19 1 32 22 5 2 33 15 16 ar 34 14 2 ar 35 19 20 ar 36 16 2 ar 37 16 7 ar 38 29 28 ar 39 29 1 1 40 26 49 1 41 26 28 ar 42 3 12 1 43 37 12 1 44 20 7 ar 45 20 41 1 46 9 12 1 47 9 30 1 48 9 31 1 49 7 21 1 50 12 36 1 51 28 51 1 52 42 21 1 53 21 44 1 54 21 43 1