@MOLECULE 3-(2-{4-[4-(~18~f)fluorobenzoyl]-1-piperidinyl}ethyl)-1-[2-(~18~f)fluoroethyl]-2,4(1h,3h)-quinazolinedione 57 60 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F -6.1227 2.5517 1.0562 F 1 UNL1 -0.1848 2 F 8.5344 1.4350 -1.8376 F 1 UNL1 -0.1732 3 O 3.7660 -2.2307 -0.1495 O.2 1 UNL1 -0.4348 4 O -3.0111 2.5249 -0.0186 O.2 1 UNL1 -0.4944 5 O -2.1364 -1.7900 1.1291 O.2 1 UNL1 -0.4792 6 N 1.0487 0.4420 1.1310 N.3 1 UNL1 -0.4289 7 N -2.5635 0.3681 0.5960 N.ar 1 UNL1 -0.5413 8 N -4.4863 0.9359 -0.7341 N.ar 1 UNL1 -0.4643 9 C 3.6626 -0.7372 1.7129 C.3 1 UNL1 -0.2015 10 C 2.3435 -1.4388 2.0682 C.3 1 UNL1 -0.2630 11 C 3.4247 0.7780 1.6356 C.3 1 UNL1 -0.2766 12 C 1.2139 -1.0329 1.1061 C.3 1 UNL1 -0.1188 13 C 2.2819 1.1131 0.6583 C.3 1 UNL1 -0.1049 14 C -0.1352 0.8522 0.3422 C.3 1 UNL1 -0.1373 15 C 4.2308 -1.2692 0.4119 C.2 1 UNL1 0.4551 16 C -1.3481 0.8116 1.3085 C.3 1 UNL1 -0.0550 17 C 5.4012 -0.5539 -0.1674 C.ar 1 UNL1 -0.1796 18 C -3.3284 1.3552 -0.0332 C.ar 1 UNL1 0.7086 19 C -2.8574 -1.0106 0.5487 C.ar 1 UNL1 0.6103 20 C -4.0448 -1.3816 -0.2228 C.ar 1 UNL1 -0.2806 21 C -4.8543 -0.4053 -0.8343 C.ar 1 UNL1 0.2849 22 C 6.4894 -0.1912 0.6270 C.ar 1 UNL1 -0.0774 23 C 5.3853 -0.2665 -1.5338 C.ar 1 UNL1 -0.0581 24 C -5.4179 2.0033 -1.1285 C.3 1 UNL1 -0.1030 25 C -4.3658 -2.7394 -0.3374 C.ar 1 UNL1 0.0041 26 C -5.9920 -0.8150 -1.5607 C.ar 1 UNL1 -0.2941 27 C 7.5685 0.4853 0.0650 C.ar 1 UNL1 -0.2324 28 C 6.4484 0.4187 -2.1161 C.ar 1 UNL1 -0.2308 29 C -6.5956 2.1171 -0.1392 C.3 1 UNL1 -0.0928 30 C -5.4874 -3.1326 -1.0505 C.ar 1 UNL1 -0.2454 31 C -6.2932 -2.1644 -1.6601 C.ar 1 UNL1 -0.0280 32 C 7.5174 0.7813 -1.2973 C.ar 1 UNL1 0.2223 33 H 4.4093 -0.9507 2.5191 H 1 UNL1 0.1526 34 H 2.4702 -2.5381 2.0375 H 1 UNL1 0.1505 35 H 2.0541 -1.1774 3.1048 H 1 UNL1 0.1493 36 H 3.1550 1.1534 2.6445 H 1 UNL1 0.1600 37 H 4.3428 1.3152 1.3394 H 1 UNL1 0.1379 38 H 0.2556 -1.4991 1.4362 H 1 UNL1 0.1620 39 H 1.4238 -1.4253 0.0873 H 1 UNL1 0.1300 40 H 2.5638 0.8249 -0.3763 H 1 UNL1 0.1130 41 H 2.1074 2.2114 0.6588 H 1 UNL1 0.1382 42 H -0.3153 0.2067 -0.5429 H 1 UNL1 0.1325 43 H -0.0106 1.8853 -0.0456 H 1 UNL1 0.1461 44 H -1.5205 1.8157 1.7572 H 1 UNL1 0.1651 45 H -1.1511 0.1120 2.1585 H 1 UNL1 0.1841 46 H -4.8586 2.9765 -1.1808 H 1 UNL1 0.1984 47 H -5.7896 1.8141 -2.1603 H 1 UNL1 0.1535 48 H 6.5032 -0.4393 1.6888 H 1 UNL1 0.1574 49 H 4.5379 -0.5873 -2.1451 H 1 UNL1 0.1700 50 H -3.7177 -3.4801 0.1462 H 1 UNL1 0.1793 51 H -6.6279 -0.0875 -2.0550 H 1 UNL1 0.1639 52 H 8.4242 0.7723 0.6726 H 1 UNL1 0.1750 53 H 6.4436 0.6559 -3.1783 H 1 UNL1 0.1775 54 H -7.3515 2.8460 -0.5137 H 1 UNL1 0.1415 55 H -7.1000 1.1345 0.0169 H 1 UNL1 0.1452 56 H -5.7417 -4.1858 -1.1394 H 1 UNL1 0.1631 57 H -7.1728 -2.4790 -2.2249 H 1 UNL1 0.1486 @BOND 1 53 28 1 2 57 31 1 3 47 24 1 4 49 23 1 5 28 23 ar 6 28 32 ar 7 51 26 1 8 2 32 1 9 31 26 ar 10 31 30 ar 11 26 21 ar 12 23 17 ar 13 32 27 ar 14 46 24 1 15 56 30 1 16 24 8 1 17 24 29 1 18 30 25 ar 19 21 8 ar 20 21 20 ar 21 8 18 ar 22 42 14 1 23 54 29 1 24 40 13 1 25 25 20 ar 26 25 50 1 27 20 19 ar 28 17 15 1 29 17 22 ar 30 3 15 2 31 29 55 1 32 29 1 1 33 43 14 1 34 18 4 2 35 18 7 ar 36 27 22 ar 37 27 52 1 38 39 12 1 39 14 6 1 40 14 16 1 41 15 9 1 42 19 7 ar 43 19 5 2 44 7 16 1 45 22 48 1 46 13 41 1 47 13 6 1 48 13 11 1 49 12 6 1 50 12 38 1 51 12 10 1 52 16 44 1 53 16 45 1 54 37 11 1 55 11 9 1 56 11 36 1 57 9 10 1 58 9 33 1 59 34 10 1 60 10 35 1