@MOLECULE 2-benzyl-5-{4-[(6,7-dimethoxy-4-quinolinyl)oxy]-3-fluorophenyl}-3-methyl-4(3h)-pyrimidinone 61 65 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 4.8439 1.8594 -0.4004 N.ar 1 UNL1 -0.4490 2 N -5.3261 2.4321 0.9613 N.ar 1 UNL1 -0.4179 3 C 9.3217 -2.6615 0.4092 C.ar 1 UNL1 -0.1518 4 C 9.0525 -2.1305 -0.8513 C.ar 1 UNL1 -0.1357 5 C 8.3417 -0.9385 -0.9702 C.ar 1 UNL1 -0.1590 6 C 2.9170 0.3730 -0.2489 C.ar 1 UNL1 -0.2993 7 C 3.4204 1.7049 -0.5264 C.ar 1 UNL1 0.5876 8 C 3.8039 -0.6286 0.0593 C.ar 1 UNL1 0.1594 9 C 0.8631 -0.6215 0.6915 C.ar 1 UNL1 -0.2137 10 C 0.7068 0.7571 -1.3057 C.ar 1 UNL1 -0.1383 11 C -4.8315 0.2151 0.0522 C.ar 1 UNL1 -0.1557 12 C -7.5878 -0.2946 0.0724 C.ar 1 UNL1 0.2095 13 C -7.1386 0.9201 0.5160 C.ar 1 UNL1 -0.3081 14 C -5.7408 1.2002 0.5125 C.ar 1 UNL1 0.2169 15 C -3.0325 1.7940 0.5330 C.ar 1 UNL1 -0.3946 16 C -6.4057 -3.4907 -1.2326 C.3 1 UNL1 -0.2122 17 C 7.1391 1.0123 0.0465 C.3 1 UNL1 -0.3080 18 C -9.8538 0.2290 0.4829 C.3 1 UNL1 -0.2145 19 O -8.8796 -0.6974 0.0131 O.3 1 UNL1 -0.2650 20 C -6.6561 -1.2971 -0.3947 C.ar 1 UNL1 0.1447 21 O -7.2649 -2.4433 -0.7974 O.3 1 UNL1 -0.2684 22 C -5.3120 -1.0412 -0.4016 C.ar 1 UNL1 -0.2236 23 C -4.0300 2.7050 0.9675 C.ar 1 UNL1 0.1198 24 C -3.4515 0.5629 0.0814 C.ar 1 UNL1 0.2957 25 O -2.6381 -0.4361 -0.3742 O.3 1 UNL1 -0.2755 26 C -1.2838 -0.1677 -0.3462 C.ar 1 UNL1 0.0993 27 C -0.5177 -0.7784 0.6504 C.ar 1 UNL1 0.1529 28 F -1.1331 -1.5053 1.5646 F 1 UNL1 -0.1421 29 C -0.6753 0.5969 -1.3365 C.ar 1 UNL1 -0.1508 30 C 1.4751 0.1641 -0.2945 C.ar 1 UNL1 0.0596 31 O 2.7859 2.6839 -0.8481 O.2 1 UNL1 -0.4967 32 C 5.4088 3.1918 -0.6342 C.3 1 UNL1 -0.2503 33 N 5.1535 -0.4206 0.1450 N.ar 1 UNL1 -0.4873 34 C 5.6545 0.7867 -0.0734 C.ar 1 UNL1 0.4143 35 C 7.8999 -0.2770 0.1767 C.ar 1 UNL1 0.0279 36 C 8.1634 -0.8093 1.4394 C.ar 1 UNL1 -0.1482 37 C 8.8752 -2.0017 1.5529 C.ar 1 UNL1 -0.1359 38 H 9.8749 -3.5935 0.5000 H 1 UNL1 0.1479 39 H 9.3929 -2.6501 -1.7447 H 1 UNL1 0.1487 40 H 8.1218 -0.5346 -1.9556 H 1 UNL1 0.1502 41 H 3.4945 -1.6662 0.2575 H 1 UNL1 0.1896 42 H 1.4519 -1.0788 1.4852 H 1 UNL1 0.1773 43 H 1.1950 1.3695 -2.0673 H 1 UNL1 0.1783 44 H -7.8045 1.7006 0.8795 H 1 UNL1 0.1918 45 H -1.9878 2.0799 0.5720 H 1 UNL1 0.1861 46 H -7.1238 -4.2853 -1.4756 H 1 UNL1 0.1505 47 H -5.8462 -3.1939 -2.1253 H 1 UNL1 0.1369 48 H -5.7369 -3.8117 -0.4273 H 1 UNL1 0.1397 49 H 7.5144 1.5822 -0.8354 H 1 UNL1 0.1757 50 H 7.3389 1.6676 0.9278 H 1 UNL1 0.1793 51 H -10.7879 -0.3276 0.3283 H 1 UNL1 0.1525 52 H -9.7068 0.4458 1.5460 H 1 UNL1 0.1404 53 H -9.8483 1.1445 -0.1174 H 1 UNL1 0.1397 54 H -4.5857 -1.7771 -0.7443 H 1 UNL1 0.1833 55 H -3.7448 3.6994 1.3347 H 1 UNL1 0.1674 56 H -1.2783 1.0640 -2.1150 H 1 UNL1 0.1771 57 H 4.5965 3.9331 -0.8094 H 1 UNL1 0.1965 58 H 5.9835 3.5413 0.2399 H 1 UNL1 0.1515 59 H 6.0513 3.1992 -1.5315 H 1 UNL1 0.1527 60 H 7.7996 -0.3067 2.3329 H 1 UNL1 0.1524 61 H 9.0762 -2.4209 2.5367 H 1 UNL1 0.1487 @BOND 1 47 16 1 2 56 29 1 3 43 10 1 4 40 5 1 5 39 4 1 6 59 32 1 7 46 16 1 8 29 10 ar 9 29 26 ar 10 10 30 ar 11 16 21 1 12 16 48 1 13 5 4 ar 14 5 35 ar 15 4 3 ar 16 31 7 2 17 49 17 1 18 57 32 1 19 21 20 1 20 54 22 1 21 32 1 1 22 32 58 1 23 7 1 ar 24 7 6 ar 25 22 20 ar 26 22 11 ar 27 1 34 ar 28 20 12 ar 29 25 26 1 30 25 24 1 31 26 27 ar 32 30 6 1 33 30 9 ar 34 6 8 ar 35 53 18 1 36 34 17 1 37 34 33 ar 38 19 12 1 39 19 18 1 40 17 35 1 41 17 50 1 42 11 24 ar 43 11 14 ar 44 8 33 ar 45 8 41 1 46 12 13 ar 47 24 15 ar 48 35 36 ar 49 51 18 1 50 3 38 1 51 3 37 ar 52 18 52 1 53 14 13 ar 54 14 2 ar 55 13 44 1 56 15 45 1 57 15 23 ar 58 27 9 ar 59 27 28 1 60 9 42 1 61 2 23 ar 62 23 55 1 63 36 37 ar 64 36 60 1 65 37 61 1