@MOLECULE (4s)-4-({[5-amino-6-oxo-2-(2-thienyl)-1(6h)-pyrimidinyl]acetyl}amino)-2,2-difluoro-5-methyl-n-[2-(4-morpholinyl)ethyl]-3-oxohexanamide 67 69 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.0647 -3.4613 -0.2300 C.3 1 UNL1 0.1767 2 C 0.2049 -3.1529 0.5932 C.2 1 UNL1 0.3800 3 C 1.2913 -2.3068 -0.0641 C.3 1 UNL1 -0.0110 4 C 2.6171 -3.0968 -0.2347 C.3 1 UNL1 -0.0801 5 C 3.1841 -3.6019 1.0919 C.3 1 UNL1 -0.4607 6 C 2.4031 -4.2581 -1.2052 C.3 1 UNL1 -0.4623 7 C 1.2942 0.1306 0.3241 C.2 1 UNL1 0.5615 8 C 1.5029 1.2394 1.3570 C.3 1 UNL1 -0.1719 9 C 1.1106 3.5507 0.6292 C.ar 1 UNL1 0.5493 10 C 1.5857 4.6975 -0.1673 C.ar 1 UNL1 0.0186 11 C 2.8011 4.6142 -0.8015 C.ar 1 UNL1 -0.0544 12 C 3.2189 2.4670 0.0155 C.ar 1 UNL1 0.3514 13 C 4.0882 1.3030 0.0855 C.ar 1 UNL1 -0.2202 14 C 4.6175 0.6942 1.1965 C.ar 1 UNL1 -0.1538 15 C 5.4389 -0.4275 0.8712 C.ar 1 UNL1 -0.1807 16 C 5.5424 -0.6449 -0.4778 C.ar 1 UNL1 -0.2970 17 C -1.9352 -2.1966 -0.4833 C.2 1 UNL1 0.5116 18 C -3.0576 -0.2592 0.5014 C.3 1 UNL1 -0.0647 19 C -4.5601 -0.5937 0.6956 C.3 1 UNL1 -0.1502 20 C -6.5472 0.7775 1.1232 C.3 1 UNL1 -0.1588 21 C -7.2211 2.1013 0.7107 C.3 1 UNL1 -0.0417 22 C -6.3421 1.9474 -1.4606 C.3 1 UNL1 -0.0424 23 C -5.6461 0.6162 -1.1275 C.3 1 UNL1 -0.1615 24 N 1.4597 -1.1516 0.8173 N.am 1 UNL1 -0.6149 25 N 1.9907 2.4529 0.7029 N.ar 1 UNL1 -0.4258 26 N 3.6034 3.5019 -0.6940 N.ar 1 UNL1 -0.3934 27 N 0.7832 5.8314 -0.1529 N.pl3 1 UNL1 -0.5715 28 N -2.2468 -1.4737 0.6368 N.am 1 UNL1 -0.5770 29 N -5.3115 0.6242 0.3186 N.3 1 UNL1 -0.4168 30 O 0.2328 -3.4938 1.7420 O.2 1 UNL1 -0.3788 31 O 0.9687 0.3347 -0.8208 O.2 1 UNL1 -0.4747 32 O 0.0457 3.5086 1.2123 O.2 1 UNL1 -0.5135 33 O -2.2341 -1.8857 -1.6089 O.2 1 UNL1 -0.4387 34 O -7.5108 2.0967 -0.6743 O.3 1 UNL1 -0.3894 35 F -0.7685 -4.0205 -1.4050 F 1 UNL1 -0.1560 36 F -1.7819 -4.4049 0.3900 F 1 UNL1 -0.1675 37 S 4.6465 0.5280 -1.3659 S.2 1 UNL1 0.3846 38 H 0.9595 -1.9486 -1.0859 H 1 UNL1 0.2051 39 H 3.3593 -2.3866 -0.6855 H 1 UNL1 0.1535 40 H 4.0788 -4.2146 0.9284 H 1 UNL1 0.1497 41 H 3.4815 -2.7809 1.7521 H 1 UNL1 0.1405 42 H 2.4668 -4.2270 1.6394 H 1 UNL1 0.1651 43 H 1.7510 -5.0328 -0.7854 H 1 UNL1 0.1553 44 H 1.9646 -3.9257 -2.1547 H 1 UNL1 0.1590 45 H 3.3548 -4.7463 -1.4491 H 1 UNL1 0.1515 46 H 0.5111 1.4475 1.8532 H 1 UNL1 0.2175 47 H 2.1999 0.9419 2.1714 H 1 UNL1 0.1663 48 H 3.2160 5.4142 -1.4203 H 1 UNL1 0.1899 49 H 4.4669 1.0232 2.2140 H 1 UNL1 0.1658 50 H 5.9250 -1.0221 1.6296 H 1 UNL1 0.1641 51 H 6.1065 -1.4248 -0.9593 H 1 UNL1 0.1777 52 H -2.7251 0.4943 1.2490 H 1 UNL1 0.1566 53 H -2.8869 0.2046 -0.5010 H 1 UNL1 0.1803 54 H -4.8355 -1.4858 0.0935 H 1 UNL1 0.1365 55 H -4.7504 -0.8598 1.7550 H 1 UNL1 0.1350 56 H -7.2578 -0.0647 0.9894 H 1 UNL1 0.1266 57 H -6.2688 0.8182 2.1972 H 1 UNL1 0.1403 58 H -8.2165 2.2183 1.1725 H 1 UNL1 0.1344 59 H -6.5851 2.9710 0.9532 H 1 UNL1 0.1310 60 H -6.7333 1.9642 -2.4924 H 1 UNL1 0.1377 61 H -5.6710 2.8087 -1.2956 H 1 UNL1 0.1315 62 H -4.7050 0.5193 -1.7118 H 1 UNL1 0.1543 63 H -6.2998 -0.2349 -1.4137 H 1 UNL1 0.1289 64 H 1.8131 -1.3430 1.7427 H 1 UNL1 0.3240 65 H 0.8343 6.4458 -0.9411 H 1 UNL1 0.2901 66 H -0.1398 5.7186 0.2363 H 1 UNL1 0.3068 67 H -2.0666 -1.8121 1.5689 H 1 UNL1 0.3204 @BOND 1 60 22 1 2 44 6 1 3 62 23 1 4 33 17 2 5 22 61 1 6 22 23 1 7 22 34 1 8 45 6 1 9 48 11 1 10 63 23 1 11 35 1 1 12 37 16 ar 13 37 13 ar 14 6 43 1 15 6 4 1 16 23 29 1 17 38 3 1 18 51 16 1 19 65 27 1 20 31 7 2 21 11 26 ar 22 11 10 ar 23 26 12 ar 24 39 4 1 25 34 21 1 26 53 18 1 27 17 1 1 28 17 28 am 29 16 15 ar 30 4 3 1 31 4 5 1 32 1 36 1 33 1 2 1 34 10 27 1 35 10 9 ar 36 27 66 1 37 3 2 1 38 3 24 1 39 12 13 1 40 12 25 ar 41 13 14 ar 42 54 19 1 43 29 19 1 44 29 20 1 45 7 24 am 46 7 8 1 47 18 28 1 48 18 19 1 49 18 52 1 50 2 30 2 51 9 25 ar 52 9 32 2 53 28 67 1 54 19 55 1 55 25 8 1 56 21 59 1 57 21 20 1 58 21 58 1 59 24 64 1 60 15 14 ar 61 15 50 1 62 40 5 1 63 56 20 1 64 5 42 1 65 5 41 1 66 20 57 1 67 14 49 1 68 8 46 1 69 8 47 1