@MOLECULE 5-methyl-1-(1-{3-[3-(trifluoromethyl)phenoxy]benzyl}-3-piperidinyl)-2,4(1h,3h)-pyrimidinedione 57 60 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 7.3236 3.1409 1.8410 C.3 1 UNL1 -0.4056 2 C 6.9079 1.9896 1.0048 C.ar 1 UNL1 -0.2297 3 C 5.6147 1.7336 0.6844 C.ar 1 UNL1 0.1043 4 N 5.2544 0.6404 -0.0912 N.ar 1 UNL1 -0.4699 5 C 6.2239 -0.2522 -0.5901 C.ar 1 UNL1 0.7042 6 O 5.9331 -1.2172 -1.2671 O.2 1 UNL1 -0.5241 7 N 7.5541 0.0173 -0.2589 N.ar 1 UNL1 -0.6237 8 C 7.9783 1.1172 0.5333 C.ar 1 UNL1 0.6029 9 O 9.1640 1.2248 0.7386 O.2 1 UNL1 -0.4754 10 C 3.8256 0.4239 -0.4226 C.3 1 UNL1 0.1070 11 C 3.5917 0.4973 -1.9414 C.3 1 UNL1 -0.3095 12 C 2.1017 0.2651 -2.2034 C.3 1 UNL1 -0.2671 13 C 1.6550 -1.0787 -1.5993 C.3 1 UNL1 -0.1187 14 N 1.9044 -1.0557 -0.1339 N.3 1 UNL1 -0.4154 15 C 3.3602 -0.9487 0.1341 C.3 1 UNL1 -0.1563 16 C 1.3672 -2.2752 0.5260 C.3 1 UNL1 -0.1366 17 C -0.1263 -2.3677 0.3552 C.ar 1 UNL1 0.0490 18 C -0.7142 -3.6103 0.0964 C.ar 1 UNL1 -0.2319 19 C -2.0932 -3.7133 -0.0693 C.ar 1 UNL1 -0.0779 20 C -2.9039 -2.5833 0.0162 C.ar 1 UNL1 -0.2765 21 C -2.2959 -1.3599 0.2866 C.ar 1 UNL1 0.2259 22 C -0.9186 -1.2281 0.4693 C.ar 1 UNL1 -0.2273 23 O -2.9665 -0.1581 0.2981 O.3 1 UNL1 -0.3061 24 C -4.2918 -0.1656 0.6532 C.ar 1 UNL1 0.2102 25 C -4.7836 -0.8841 1.7434 C.ar 1 UNL1 -0.2103 26 C -6.1224 -0.7315 2.0886 C.ar 1 UNL1 -0.1086 27 C -6.9509 0.1240 1.3594 C.ar 1 UNL1 -0.1389 28 C -6.4316 0.8321 0.2775 C.ar 1 UNL1 -0.0887 29 C -5.0956 0.6991 -0.0933 C.ar 1 UNL1 -0.1689 30 C -7.2932 1.7667 -0.5259 C.3 1 UNL1 0.5438 31 F -7.2834 1.5104 -1.8348 F 1 UNL1 -0.1988 32 F -8.5868 1.7778 -0.2079 F 1 UNL1 -0.2008 33 F -6.9209 3.0440 -0.4307 F 1 UNL1 -0.1980 34 H 7.7668 2.8009 2.7926 H 1 UNL1 0.1671 35 H 8.1058 3.7369 1.3388 H 1 UNL1 0.1707 36 H 6.4990 3.8213 2.0849 H 1 UNL1 0.1471 37 H 4.7913 2.3751 1.0253 H 1 UNL1 0.1742 38 H 8.2633 -0.6287 -0.6171 H 1 UNL1 0.3472 39 H 3.2226 1.2292 0.0800 H 1 UNL1 0.1546 40 H 3.9173 1.4728 -2.3427 H 1 UNL1 0.1457 41 H 4.1984 -0.2671 -2.4701 H 1 UNL1 0.1759 42 H 1.4993 1.0861 -1.7672 H 1 UNL1 0.1509 43 H 1.8953 0.2726 -3.2891 H 1 UNL1 0.1432 44 H 0.5634 -1.2163 -1.7661 H 1 UNL1 0.1475 45 H 2.1714 -1.9202 -2.1080 H 1 UNL1 0.1256 46 H 3.9488 -1.7753 -0.3228 H 1 UNL1 0.1569 47 H 3.5307 -0.9862 1.2302 H 1 UNL1 0.1436 48 H 1.8655 -3.2046 0.1669 H 1 UNL1 0.1330 49 H 1.5925 -2.1946 1.6189 H 1 UNL1 0.1592 50 H -0.0948 -4.5006 0.0165 H 1 UNL1 0.1586 51 H -2.5435 -4.6840 -0.2762 H 1 UNL1 0.1529 52 H -3.9762 -2.6564 -0.1397 H 1 UNL1 0.1708 53 H -0.4717 -0.2535 0.6723 H 1 UNL1 0.1956 54 H -4.1279 -1.5415 2.3125 H 1 UNL1 0.1752 55 H -6.5284 -1.2809 2.9386 H 1 UNL1 0.1603 56 H -7.9959 0.2243 1.6548 H 1 UNL1 0.1717 57 H -4.6653 1.2453 -0.9346 H 1 UNL1 0.1898 @BOND 1 43 12 1 2 41 11 1 3 40 11 1 4 12 11 1 5 12 42 1 6 12 13 1 7 45 13 1 8 11 10 1 9 31 30 1 10 44 13 1 11 13 14 1 12 6 5 2 13 57 29 1 14 38 7 1 15 5 7 ar 16 5 4 ar 17 30 33 1 18 30 32 1 19 30 28 1 20 10 4 1 21 10 39 1 22 10 15 1 23 46 15 1 24 51 19 1 25 7 8 ar 26 52 20 1 27 14 15 1 28 14 16 1 29 29 28 ar 30 29 24 ar 31 4 3 ar 32 19 20 ar 33 19 18 ar 34 20 21 ar 35 50 18 1 36 18 17 ar 37 15 47 1 38 48 16 1 39 28 27 ar 40 21 23 1 41 21 22 ar 42 23 24 1 43 17 22 ar 44 17 16 1 45 22 53 1 46 16 49 1 47 8 9 2 48 8 2 ar 49 24 25 ar 50 3 2 ar 51 3 37 1 52 2 1 1 53 35 1 1 54 27 56 1 55 27 26 ar 56 25 26 ar 57 25 54 1 58 1 36 1 59 1 34 1 60 26 55 1