@MOLECULE 3-(4-methoxybenzyl)-2,4-dioxo-n-[2-(1-piperidinyl)ethyl]-1,2,3,4-tetrahydro-7-quinazolinecarboxamide 60 63 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.5606 1.7734 -0.6046 O.2 1 UNL1 -0.5108 2 O 3.3115 1.4335 1.9579 O.2 1 UNL1 -0.4648 3 O 3.5560 1.9074 -2.5739 O.2 1 UNL1 -0.5020 4 O 7.1825 -3.4321 0.3758 O.3 1 UNL1 -0.3202 5 N -6.9673 -1.0558 0.2979 N.3 1 UNL1 -0.4234 6 N -3.6684 0.4504 1.2283 N.am 1 UNL1 -0.5929 7 N 3.4757 1.6906 -0.2862 N.ar 1 UNL1 -0.5327 8 N 1.5000 1.6890 -1.6570 N.ar 1 UNL1 -0.5477 9 C -7.3463 -2.4403 -0.0881 C.3 1 UNL1 -0.1092 10 C -7.5744 -0.0659 -0.6316 C.3 1 UNL1 -0.1118 11 C -8.8753 -2.5968 -0.0266 C.3 1 UNL1 -0.2732 12 C -9.1083 -0.1735 -0.5785 C.3 1 UNL1 -0.2711 13 C -9.5478 -1.5891 -0.9641 C.3 1 UNL1 -0.2628 14 C -5.4909 -0.9274 0.3085 C.3 1 UNL1 -0.1557 15 C -5.1234 0.3309 1.1356 C.3 1 UNL1 -0.0673 16 C -2.9805 1.1899 0.2889 C.2 1 UNL1 0.5615 17 C -1.4929 1.2508 0.4539 C.ar 1 UNL1 -0.0081 18 C 0.6838 1.5098 -0.5458 C.ar 1 UNL1 0.2705 19 C 1.2753 1.4086 0.7249 C.ar 1 UNL1 -0.2523 20 C -0.7179 1.4288 -0.6812 C.ar 1 UNL1 -0.2291 21 C 2.7309 1.4931 0.8994 C.ar 1 UNL1 0.6048 22 C 4.9542 1.7091 -0.1811 C.3 1 UNL1 -0.0422 23 C -0.9092 1.1589 1.7246 C.ar 1 UNL1 -0.2296 24 C 0.4686 1.2379 1.8539 C.ar 1 UNL1 -0.0100 25 C 2.9059 1.7649 -1.5603 C.ar 1 UNL1 0.7053 26 C 5.5128 0.3184 -0.0568 C.ar 1 UNL1 -0.1194 27 C 6.2426 -0.0465 1.0807 C.ar 1 UNL1 -0.0664 28 C 5.3177 -0.6073 -1.0799 C.ar 1 UNL1 -0.0720 29 C 6.7953 -1.3150 1.1827 C.ar 1 UNL1 -0.2589 30 C 5.8494 -1.8924 -0.9927 C.ar 1 UNL1 -0.3036 31 C 6.5910 -2.2322 0.1381 C.ar 1 UNL1 0.2605 32 C 7.0663 -4.4416 -0.6164 C.3 1 UNL1 -0.2003 33 H -6.8799 -3.1436 0.6363 H 1 UNL1 0.1315 34 H -6.9765 -2.7157 -1.1000 H 1 UNL1 0.1135 35 H -7.2210 -0.1935 -1.6771 H 1 UNL1 0.1173 36 H -7.2686 0.9546 -0.3092 H 1 UNL1 0.1378 37 H -9.2204 -2.4311 1.0137 H 1 UNL1 0.1507 38 H -9.1587 -3.6301 -0.2912 H 1 UNL1 0.1306 39 H -9.5576 0.5768 -1.2521 H 1 UNL1 0.1334 40 H -9.4616 0.0659 0.4435 H 1 UNL1 0.1500 41 H -9.2806 -1.8022 -2.0148 H 1 UNL1 0.1348 42 H -10.6460 -1.6811 -0.8997 H 1 UNL1 0.1322 43 H -5.0524 -1.8265 0.7910 H 1 UNL1 0.1376 44 H -5.0454 -0.8557 -0.7062 H 1 UNL1 0.1329 45 H -5.5485 1.2510 0.6682 H 1 UNL1 0.1692 46 H -5.5596 0.2591 2.1557 H 1 UNL1 0.1531 47 H -3.1977 -0.1317 1.9000 H 1 UNL1 0.3118 48 H -1.1941 1.5235 -1.6598 H 1 UNL1 0.1904 49 H 5.2202 2.3355 0.7082 H 1 UNL1 0.1673 50 H 5.3805 2.2193 -1.0816 H 1 UNL1 0.1742 51 H -1.5250 1.0473 2.6145 H 1 UNL1 0.1644 52 H 0.9410 1.1623 2.8388 H 1 UNL1 0.1792 53 H 1.0913 1.7743 -2.5869 H 1 UNL1 0.3446 54 H 6.3727 0.6684 1.8957 H 1 UNL1 0.1596 55 H 4.7452 -0.3222 -1.9649 H 1 UNL1 0.1619 56 H 7.3725 -1.6108 2.0527 H 1 UNL1 0.1717 57 H 5.6848 -2.6019 -1.7956 H 1 UNL1 0.1629 58 H 7.5967 -5.2806 -0.1469 H 1 UNL1 0.1526 59 H 7.5653 -4.1350 -1.5413 H 1 UNL1 0.1348 60 H 6.0184 -4.7045 -0.7941 H 1 UNL1 0.1343 @BOND 1 53 8 1 2 3 25 2 3 41 13 1 4 55 28 1 5 57 30 1 6 35 10 1 7 48 20 1 8 8 25 ar 9 8 18 ar 10 25 7 ar 11 59 32 1 12 39 12 1 13 34 9 1 14 50 22 1 15 28 30 ar 16 28 26 ar 17 30 31 ar 18 13 42 1 19 13 12 1 20 13 11 1 21 60 32 1 22 44 14 1 23 20 18 ar 24 20 17 ar 25 10 12 1 26 10 36 1 27 10 5 1 28 32 58 1 29 32 4 1 30 1 16 2 31 12 40 1 32 18 19 ar 33 38 11 1 34 7 22 1 35 7 21 ar 36 22 26 1 37 22 49 1 38 9 11 1 39 9 5 1 40 9 33 1 41 26 27 ar 42 11 37 1 43 31 4 1 44 31 29 ar 45 16 17 1 46 16 6 am 47 5 14 1 48 14 43 1 49 14 15 1 50 17 23 ar 51 45 15 1 52 19 21 ar 53 19 24 ar 54 21 2 2 55 27 29 ar 56 27 54 1 57 15 6 1 58 15 46 1 59 29 56 1 60 6 47 1 61 23 24 ar 62 23 51 1 63 24 52 1