@MOLECULE 3-[2-[4-(p-fluorobenzoyl)piperidino]ethyl]-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one 53 56 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F -7.4555 -2.9484 0.3376 F 1 UNL1 -0.1728 2 O -3.6091 1.3898 -1.9786 O.2 1 UNL1 -0.4339 3 O 3.6516 0.8005 -1.8737 O.2 1 UNL1 -0.4893 4 N -0.4843 1.1530 0.5350 N.3 1 UNL1 -0.4311 5 N 5.1760 -0.3379 -0.6446 N.ar 1 UNL1 -0.4079 6 N 4.8814 -0.6119 1.7078 N.ar 1 UNL1 -0.5350 7 C -3.3037 1.9377 0.3267 C.3 1 UNL1 -0.2024 8 C -2.7749 0.9946 1.4166 C.3 1 UNL1 -0.2805 9 C -2.1591 2.8437 -0.1488 C.3 1 UNL1 -0.2675 10 C -1.5557 0.1999 0.9136 C.3 1 UNL1 -0.1074 11 C -0.9323 2.0207 -0.5826 C.3 1 UNL1 -0.1080 12 C 0.7612 0.4304 0.1752 C.3 1 UNL1 -0.1129 13 C -3.8998 1.1599 -0.8311 C.2 1 UNL1 0.4560 14 C 1.9536 1.3934 0.3837 C.3 1 UNL1 -0.2324 15 C 3.2234 0.6207 0.4712 C.ar 1 UNL1 -0.3460 16 C -4.8701 0.0787 -0.5063 C.ar 1 UNL1 -0.1792 17 C 3.7123 0.1018 1.6525 C.ar 1 UNL1 0.3367 18 C 3.9310 0.4261 -0.7595 C.ar 1 UNL1 0.5885 19 C -5.9115 0.2937 0.3968 C.ar 1 UNL1 -0.0780 20 C -4.7187 -1.1545 -1.1440 C.ar 1 UNL1 -0.0577 21 C 5.5937 -0.8261 0.6048 C.ar 1 UNL1 0.4060 22 C 3.0249 0.2734 2.9635 C.3 1 UNL1 -0.4488 23 C -6.8041 -0.7336 0.6896 C.ar 1 UNL1 -0.2323 24 C -5.5923 -2.2003 -0.8586 C.ar 1 UNL1 -0.2301 25 C 5.9397 -0.5718 -1.7837 C.ar 1 UNL1 0.0942 26 C -6.6169 -1.9629 0.0572 C.ar 1 UNL1 0.2224 27 C 6.8274 -1.5720 0.6632 C.ar 1 UNL1 -0.2429 28 C 7.1067 -1.2761 -1.7154 C.ar 1 UNL1 -0.2791 29 C 7.5587 -1.7865 -0.4629 C.ar 1 UNL1 -0.0363 30 H -4.1148 2.5785 0.7560 H 1 UNL1 0.1533 31 H -2.4740 1.5943 2.3001 H 1 UNL1 0.1579 32 H -3.5599 0.3007 1.7650 H 1 UNL1 0.1395 33 H -1.8695 3.5306 0.6698 H 1 UNL1 0.1474 34 H -2.4933 3.4749 -0.9948 H 1 UNL1 0.1508 35 H -1.8530 -0.4711 0.0798 H 1 UNL1 0.1145 36 H -1.1742 -0.4458 1.7344 H 1 UNL1 0.1350 37 H -0.0981 2.7103 -0.8392 H 1 UNL1 0.1413 38 H -1.1701 1.4454 -1.5047 H 1 UNL1 0.1323 39 H 0.7610 0.0457 -0.8663 H 1 UNL1 0.1288 40 H 0.8816 -0.4512 0.8397 H 1 UNL1 0.1340 41 H 1.7833 2.0001 1.2983 H 1 UNL1 0.1632 42 H 1.9954 2.1297 -0.4474 H 1 UNL1 0.1618 43 H -6.0356 1.2670 0.8725 H 1 UNL1 0.1570 44 H -3.9156 -1.2927 -1.8727 H 1 UNL1 0.1707 45 H 3.0880 1.3193 3.3046 H 1 UNL1 0.1742 46 H 1.9566 0.0145 2.8989 H 1 UNL1 0.1749 47 H 3.4751 -0.3530 3.7518 H 1 UNL1 0.1796 48 H -7.6227 -0.5784 1.3895 H 1 UNL1 0.1750 49 H -5.4797 -3.1688 -1.3428 H 1 UNL1 0.1782 50 H 5.5387 -0.1548 -2.7225 H 1 UNL1 0.2030 51 H 7.1255 -1.9411 1.6462 H 1 UNL1 0.1945 52 H 7.7005 -1.4568 -2.6090 H 1 UNL1 0.1786 53 H 8.4948 -2.3475 -0.4328 H 1 UNL1 0.1621 @BOND 1 50 25 1 2 52 28 1 3 2 13 2 4 3 18 2 5 44 20 1 6 25 28 ar 7 25 5 ar 8 28 29 ar 9 38 11 1 10 49 24 1 11 20 24 ar 12 20 16 ar 13 34 9 1 14 39 12 1 15 24 26 ar 16 37 11 1 17 13 16 1 18 13 7 1 19 18 5 ar 20 18 15 ar 21 5 21 ar 22 11 9 1 23 11 4 1 24 16 19 ar 25 29 53 1 26 29 27 ar 27 42 14 1 28 9 7 1 29 9 33 1 30 26 1 1 31 26 23 ar 32 35 10 1 33 12 14 1 34 12 4 1 35 12 40 1 36 7 30 1 37 7 8 1 38 14 15 1 39 14 41 1 40 19 23 ar 41 19 43 1 42 15 17 ar 43 4 10 1 44 21 27 ar 45 21 6 ar 46 27 51 1 47 23 48 1 48 10 8 1 49 10 36 1 50 8 32 1 51 8 31 1 52 17 6 ar 53 17 22 1 54 46 22 1 55 22 45 1 56 22 47 1