@MOLECULE 3-(4-(4-(4-fluorobenzoyl)-1-piperidinyl)butyl)-2,4(1h,3h)-quinazolinedione 57 60 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F -10.0177 0.3252 1.9894 F 1 UNL1 -0.1718 2 O -5.6219 -0.5810 -2.3316 O.2 1 UNL1 -0.4364 3 O 4.8716 1.4394 -1.2182 O.2 1 UNL1 -0.4761 4 O 4.8414 -2.8114 0.4389 O.2 1 UNL1 -0.4951 5 N -1.3695 -0.1053 -0.1125 N.3 1 UNL1 -0.4249 6 N 4.8359 -0.6857 -0.4454 N.ar 1 UNL1 -0.5387 7 N 6.6804 -1.5469 0.8184 N.ar 1 UNL1 -0.5578 8 C -4.1720 0.4221 -0.7308 C.3 1 UNL1 -0.2037 9 C -3.7454 -0.4273 0.4756 C.3 1 UNL1 -0.2752 10 C -3.1015 0.3021 -1.8227 C.3 1 UNL1 -0.2698 11 C -2.3657 0.0358 0.9786 C.3 1 UNL1 -0.1084 12 C -1.7369 0.7462 -1.2710 C.3 1 UNL1 -0.1129 13 C -0.0055 0.2166 0.3777 C.3 1 UNL1 -0.1185 14 C 1.0243 -0.4644 -0.5448 C.3 1 UNL1 -0.2735 15 C -5.5098 -0.0714 -1.2432 C.2 1 UNL1 0.4530 16 C 2.4353 -0.2786 0.0152 C.3 1 UNL1 -0.3013 17 C 3.4631 -0.8654 -0.9666 C.3 1 UNL1 -0.0434 18 C -6.6963 0.0645 -0.3565 C.ar 1 UNL1 -0.1897 19 C -6.8145 1.1073 0.5636 C.ar 1 UNL1 -0.0681 20 C -7.7159 -0.8835 -0.4878 C.ar 1 UNL1 -0.0412 21 C 5.4601 0.5727 -0.6137 C.ar 1 UNL1 0.6065 22 C 5.3940 -1.7450 0.2744 C.ar 1 UNL1 0.7041 23 C 6.7969 0.7095 -0.0319 C.ar 1 UNL1 -0.2772 24 C 7.3825 -0.3543 0.6756 C.ar 1 UNL1 0.2829 25 C -7.9452 1.2072 1.3697 C.ar 1 UNL1 -0.2417 26 C -8.8533 -0.8094 0.3110 C.ar 1 UNL1 -0.2443 27 C -8.9402 0.2403 1.2251 C.ar 1 UNL1 0.2316 28 C 7.4956 1.9139 -0.1790 C.ar 1 UNL1 -0.0001 29 C 8.6670 -0.2108 1.2359 C.ar 1 UNL1 -0.2846 30 C 8.7601 2.0543 0.3718 C.ar 1 UNL1 -0.2416 31 C 9.3394 0.9906 1.0769 C.ar 1 UNL1 -0.0250 32 H -4.2647 1.4926 -0.4271 H 1 UNL1 0.1529 33 H -4.4860 -0.3648 1.2922 H 1 UNL1 0.1393 34 H -3.6856 -1.4960 0.1824 H 1 UNL1 0.1637 35 H -3.3743 0.9013 -2.7095 H 1 UNL1 0.1458 36 H -3.0403 -0.7486 -2.1766 H 1 UNL1 0.1694 37 H -2.0472 -0.6181 1.8209 H 1 UNL1 0.1385 38 H -2.4303 1.0719 1.3722 H 1 UNL1 0.1099 39 H -1.7567 1.8275 -1.0199 H 1 UNL1 0.1097 40 H -0.9615 0.6096 -2.0580 H 1 UNL1 0.1412 41 H 0.1126 -0.1841 1.4085 H 1 UNL1 0.1368 42 H 0.1880 1.3076 0.4352 H 1 UNL1 0.1144 43 H 0.9553 -0.0500 -1.5676 H 1 UNL1 0.1418 44 H 0.7739 -1.5404 -0.6386 H 1 UNL1 0.1609 45 H 2.5287 -0.7701 1.0022 H 1 UNL1 0.1505 46 H 2.6483 0.7966 0.1804 H 1 UNL1 0.1554 47 H 3.3954 -0.3538 -1.9563 H 1 UNL1 0.1621 48 H 3.2720 -1.9510 -1.1361 H 1 UNL1 0.1654 49 H -6.0266 1.8564 0.6552 H 1 UNL1 0.1569 50 H -7.6161 -1.6825 -1.2294 H 1 UNL1 0.1757 51 H 7.0915 -2.3252 1.3297 H 1 UNL1 0.3414 52 H -8.0474 2.0178 2.0882 H 1 UNL1 0.1758 53 H -9.6497 -1.5454 0.2180 H 1 UNL1 0.1786 54 H 7.0276 2.7349 -0.7329 H 1 UNL1 0.1753 55 H 9.1221 -1.0310 1.7834 H 1 UNL1 0.1680 56 H 9.3061 2.9880 0.2589 H 1 UNL1 0.1626 57 H 10.3356 1.1129 1.5061 H 1 UNL1 0.1509 @BOND 1 35 10 1 2 2 15 2 3 36 10 1 4 40 12 1 5 47 17 1 6 10 12 1 7 10 8 1 8 43 14 1 9 12 39 1 10 12 5 1 11 15 8 1 12 15 18 1 13 50 20 1 14 3 21 2 15 48 17 1 16 17 6 1 17 17 16 1 18 54 28 1 19 8 32 1 20 8 9 1 21 44 14 1 22 21 6 ar 23 21 23 ar 24 14 16 1 25 14 13 1 26 20 18 ar 27 20 26 ar 28 6 22 ar 29 18 19 ar 30 28 23 ar 31 28 30 ar 32 5 13 1 33 5 11 1 34 23 24 ar 35 16 46 1 36 16 45 1 37 34 9 1 38 53 26 1 39 56 30 1 40 22 4 2 41 22 7 ar 42 26 27 ar 43 30 31 ar 44 13 42 1 45 13 41 1 46 9 11 1 47 9 33 1 48 19 49 1 49 19 25 ar 50 24 7 ar 51 24 29 ar 52 7 51 1 53 11 38 1 54 11 37 1 55 31 29 ar 56 31 57 1 57 27 25 ar 58 27 1 1 59 29 55 1 60 25 52 1