@MOLECULE 5-chloro-n-[1-(2-{[2-fluoro-4-(2-oxo-1(2h)-pyridinyl)phenyl]amino}-2-oxoethyl)-5-(hydroxymethyl)-3-pyrrolidinyl]-2-thiophenecarboxamide 56 59 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F -2.3856 1.4436 -2.0026 F 1 UNL1 -0.1242 2 C -2.7924 0.8756 -0.8832 C.ar 1 UNL1 0.1678 3 C -3.9347 0.0837 -0.9219 C.ar 1 UNL1 -0.1893 4 C -4.3306 -0.5693 0.2505 C.ar 1 UNL1 0.1512 5 N -5.5080 -1.3841 0.2445 N.ar 1 UNL1 -0.3871 6 C -5.4564 -2.6432 0.8035 C.ar 1 UNL1 0.1060 7 C -6.5729 -3.4327 0.8746 C.ar 1 UNL1 -0.3408 8 C -7.8141 -2.9474 0.3737 C.ar 1 UNL1 0.0012 9 C -7.8880 -1.7149 -0.1907 C.ar 1 UNL1 -0.3430 10 C -6.7270 -0.8559 -0.3029 C.ar 1 UNL1 0.5813 11 O -6.6858 0.2432 -0.8066 O.2 1 UNL1 -0.4878 12 C -3.5946 -0.4274 1.4338 C.ar 1 UNL1 -0.1968 13 C -2.4645 0.3802 1.4554 C.ar 1 UNL1 -0.1764 14 C -2.0516 1.0617 0.3010 C.ar 1 UNL1 0.1416 15 N -0.9172 1.8935 0.3606 N.am 1 UNL1 -0.5651 16 C -0.8754 3.1362 -0.2676 C.2 1 UNL1 0.5694 17 C 3.5615 2.0296 -0.3368 C.3 1 UNL1 0.0977 18 O -1.8027 3.5517 -0.9203 O.2 1 UNL1 -0.4746 19 C 3.8433 2.9318 0.8963 C.3 1 UNL1 -0.3373 20 C 0.3814 3.9721 -0.0412 C.3 1 UNL1 -0.1999 21 N 1.5214 3.1241 0.3354 N.3 1 UNL1 -0.4487 22 C 2.1437 2.4366 -0.8231 C.3 1 UNL1 -0.1573 23 O 1.9081 6.1566 0.9815 O.3 1 UNL1 -0.5397 24 C 2.9122 5.2613 0.5572 C.3 1 UNL1 -0.0531 25 N 3.5875 0.6180 0.0427 N.am 1 UNL1 -0.6078 26 C 4.5055 -0.2437 -0.5251 C.2 1 UNL1 0.6012 27 O 5.2911 0.1399 -1.3676 O.2 1 UNL1 -0.5017 28 C 4.4511 -1.6288 -0.0324 C.ar 1 UNL1 -0.3055 29 C 4.7055 -2.0523 1.2454 C.ar 1 UNL1 -0.1190 30 C 4.6342 -3.4735 1.3870 C.ar 1 UNL1 -0.1982 31 S 4.1288 -2.9565 -1.0960 S.2 1 UNL1 0.3841 32 C 4.3237 -4.0919 0.2080 C.ar 1 UNL1 -0.1609 33 CL 4.1514 -5.7514 0.0154 Cl 1 UNL1 -0.0008 34 C 2.6020 3.8348 1.0645 C.3 1 UNL1 0.0128 35 H -4.5225 -0.0094 -1.8406 H 1 UNL1 0.2057 36 H -3.9205 -0.9233 2.3468 H 1 UNL1 0.1650 37 H -4.4817 -2.9828 1.1750 H 1 UNL1 0.1641 38 H -6.5237 -4.4258 1.3071 H 1 UNL1 0.1707 39 H -8.6953 -3.5874 0.4539 H 1 UNL1 0.1533 40 H -8.8120 -1.3002 -0.5899 H 1 UNL1 0.1882 41 H -1.9077 0.5044 2.3834 H 1 UNL1 0.1648 42 H -0.1361 1.6082 0.9425 H 1 UNL1 0.3338 43 H 0.5573 4.6007 -0.9471 H 1 UNL1 0.1703 44 H 0.1614 4.7022 0.7796 H 1 UNL1 0.1930 45 H 4.3221 2.2076 -1.1418 H 1 UNL1 0.1746 46 H 4.0108 2.3242 1.8019 H 1 UNL1 0.1588 47 H 4.7707 3.5070 0.7551 H 1 UNL1 0.1530 48 H 2.2110 3.0657 -1.7325 H 1 UNL1 0.1373 49 H 1.5204 1.5572 -1.0884 H 1 UNL1 0.1649 50 H 2.9232 0.3168 0.7352 H 1 UNL1 0.3185 51 H 2.2793 3.8906 2.1336 H 1 UNL1 0.1465 52 H 1.9702 6.3251 1.9427 H 1 UNL1 0.3130 53 H 2.8677 5.3363 -0.5456 H 1 UNL1 0.1546 54 H 3.8974 5.6171 0.9027 H 1 UNL1 0.1214 55 H 4.9511 -1.4043 2.0745 H 1 UNL1 0.1693 56 H 4.8134 -3.9720 2.3291 H 1 UNL1 0.1799 @BOND 1 1 2 1 2 35 3 1 3 48 22 1 4 27 26 2 5 45 17 1 6 31 28 ar 7 31 32 ar 8 49 22 1 9 43 20 1 10 3 2 ar 11 3 4 ar 12 18 16 2 13 2 14 ar 14 22 17 1 15 22 21 1 16 11 10 2 17 40 9 1 18 53 24 1 19 26 28 1 20 26 25 am 21 17 25 1 22 17 19 1 23 10 9 ar 24 10 5 ar 25 16 20 1 26 16 15 am 27 9 8 ar 28 20 21 1 29 20 44 1 30 28 29 ar 31 33 32 1 32 25 50 1 33 32 30 ar 34 5 4 1 35 5 6 ar 36 4 12 ar 37 14 15 1 38 14 13 ar 39 21 34 1 40 15 42 1 41 8 39 1 42 8 7 ar 43 24 54 1 44 24 23 1 45 24 34 1 46 47 19 1 47 6 7 ar 48 6 37 1 49 7 38 1 50 19 34 1 51 19 46 1 52 23 52 1 53 34 51 1 54 29 30 ar 55 29 55 1 56 30 56 1 57 12 13 ar 58 12 36 1 59 13 41 1