@MOLECULE 6-azido-3-{2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl}-2,4(1h,3h)-quinazolinedione 53 56 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F -7.7455 3.5430 0.6170 F 1 UNL1 -0.1720 2 O -4.6031 -1.8001 1.3306 O.2 1 UNL1 -0.4373 3 O 2.6368 0.7396 -1.4063 O.2 1 UNL1 -0.4653 4 O 2.1595 -3.3551 0.5537 O.2 1 UNL1 -0.4929 5 N -1.3151 -1.0866 -0.8587 N.3 1 UNL1 -0.4315 6 N 2.3838 -1.3155 -0.4911 N.ar 1 UNL1 -0.5346 7 N 4.0627 -2.2030 0.9712 N.ar 1 UNL1 -0.5482 8 N 7.3424 2.2707 0.3125 N.2 1 UNL1 -0.4166 9 N 7.1055 3.2883 -0.3724 N.2 1 UNL1 0.4295 10 N 7.1126 4.2865 -0.9120 N.2 1 UNL1 -0.1712 11 C -4.1985 -1.5507 -1.0101 C.3 1 UNL1 -0.2028 12 C -3.1875 -2.6947 -0.8448 C.3 1 UNL1 -0.2621 13 C -3.5056 -0.3659 -1.6986 C.3 1 UNL1 -0.2761 14 C -1.9195 -2.2181 -0.1138 C.3 1 UNL1 -0.1102 15 C -2.2457 0.0638 -0.9241 C.3 1 UNL1 -0.1029 16 C -0.0099 -0.7040 -0.2781 C.3 1 UNL1 -0.1434 17 C -4.7823 -1.1487 0.3311 C.2 1 UNL1 0.4556 18 C 1.0557 -1.4513 -1.1207 C.3 1 UNL1 -0.0548 19 C -5.5950 0.0961 0.3866 C.ar 1 UNL1 -0.1809 20 C 3.1104 -0.1236 -0.7051 C.ar 1 UNL1 0.6031 21 C 2.8060 -2.3514 0.3475 C.ar 1 UNL1 0.7049 22 C -6.5711 0.3644 -0.5735 C.ar 1 UNL1 -0.0767 23 C -5.3646 0.9834 1.4404 C.ar 1 UNL1 -0.0572 24 C 4.4148 -0.0395 -0.0358 C.ar 1 UNL1 -0.2264 25 C 4.8634 -1.0812 0.7884 C.ar 1 UNL1 0.2520 26 C -7.3159 1.5383 -0.5016 C.ar 1 UNL1 -0.2323 27 C -6.0886 2.1693 1.5264 C.ar 1 UNL1 -0.2305 28 C 5.2036 1.0996 -0.2266 C.ar 1 UNL1 -0.1215 29 C 6.1195 -0.9840 1.4297 C.ar 1 UNL1 -0.2392 30 C -7.0495 2.4190 0.5470 C.ar 1 UNL1 0.2239 31 C 6.4376 1.1889 0.4077 C.ar 1 UNL1 0.0953 32 C 6.8965 0.1387 1.2405 C.ar 1 UNL1 -0.0563 33 H -5.0433 -1.9070 -1.6522 H 1 UNL1 0.1539 34 H -2.9113 -3.0905 -1.8414 H 1 UNL1 0.1496 35 H -3.6412 -3.5321 -0.2802 H 1 UNL1 0.1511 36 H -4.1895 0.4941 -1.8100 H 1 UNL1 0.1399 37 H -3.2115 -0.6651 -2.7262 H 1 UNL1 0.1603 38 H -2.1642 -1.9593 0.9400 H 1 UNL1 0.1317 39 H -1.1776 -3.0469 -0.0779 H 1 UNL1 0.1445 40 H -1.7406 0.8909 -1.4717 H 1 UNL1 0.1420 41 H -2.5243 0.4539 0.0777 H 1 UNL1 0.1141 42 H 0.0896 -0.9633 0.7959 H 1 UNL1 0.1328 43 H 0.1655 0.3907 -0.3570 H 1 UNL1 0.1517 44 H 1.0919 -1.0256 -2.1509 H 1 UNL1 0.1720 45 H 0.7917 -2.5293 -1.2235 H 1 UNL1 0.1730 46 H -6.7597 -0.3445 -1.3804 H 1 UNL1 0.1573 47 H -4.6184 0.7390 2.2010 H 1 UNL1 0.1700 48 H 4.3735 -2.9622 1.5734 H 1 UNL1 0.3411 49 H -8.0825 1.7586 -1.2417 H 1 UNL1 0.1756 50 H -5.9119 2.8731 2.3379 H 1 UNL1 0.1784 51 H 4.8261 1.8962 -0.8744 H 1 UNL1 0.1856 52 H 6.4692 -1.7928 2.0691 H 1 UNL1 0.1737 53 H 7.8720 0.2352 1.7271 H 1 UNL1 0.1802 @BOND 1 37 13 1 2 44 18 1 3 34 12 1 4 36 13 1 5 13 11 1 6 13 15 1 7 33 11 1 8 40 15 1 9 3 20 2 10 46 22 1 11 49 26 1 12 45 18 1 13 18 6 1 14 18 16 1 15 11 12 1 16 11 17 1 17 15 5 1 18 15 41 1 19 10 9 2 20 51 28 1 21 5 16 1 22 5 14 1 23 12 35 1 24 12 14 1 25 20 6 ar 26 20 24 ar 27 22 26 ar 28 22 19 ar 29 26 30 ar 30 6 21 ar 31 9 8 2 32 43 16 1 33 16 42 1 34 28 24 ar 35 28 31 ar 36 14 39 1 37 14 38 1 38 24 25 ar 39 8 31 1 40 17 19 1 41 17 2 2 42 21 4 2 43 21 7 ar 44 19 23 ar 45 31 32 ar 46 30 1 1 47 30 27 ar 48 25 7 ar 49 25 29 ar 50 7 48 1 51 32 29 ar 52 32 53 1 53 29 52 1 54 23 27 ar 55 23 47 1 56 27 50 1