@MOLECULE 2-[3-(4-bromo-2-fluorobenzyl)-4-oxo-3,4-dihydro-1-phthalazinyl]-n-(2,6-dimethylphenyl)acetamide 53 56 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR -4.0240 1.2013 -0.8092 Br 1 UNL1 -0.0343 2 F 0.9458 2.6069 -0.9059 F 1 UNL1 -0.1442 3 O 3.4209 2.9397 0.0351 O.2 1 UNL1 -0.4633 4 O 0.9991 -3.6530 0.1861 O.2 1 UNL1 -0.5113 5 N 2.4443 1.4218 1.3989 N.ar 1 UNL1 -0.2972 6 N 2.1643 0.1523 1.7438 N.ar 1 UNL1 -0.1878 7 N -0.0252 -1.7776 0.9887 N.am 1 UNL1 -0.5784 8 C 3.6416 -0.6757 -0.0030 C.ar 1 UNL1 -0.0022 9 C 2.7349 -0.8521 1.1207 C.ar 1 UNL1 0.0595 10 C 3.9333 0.6442 -0.3820 C.ar 1 UNL1 -0.1483 11 C 2.3082 -2.2091 1.5888 C.3 1 UNL1 -0.3558 12 C 1.4230 2.3846 1.8709 C.3 1 UNL1 -0.0419 13 C 3.2862 1.7687 0.3050 C.ar 1 UNL1 0.5344 14 C 4.1966 -1.7357 -0.7311 C.ar 1 UNL1 -0.1530 15 C 0.0934 2.1164 1.2210 C.ar 1 UNL1 -0.1147 16 C 1.0459 -2.6350 0.8385 C.2 1 UNL1 0.5959 17 C 4.7894 0.9056 -1.4574 C.ar 1 UNL1 -0.0757 18 C -1.2559 -1.9582 0.2915 C.ar 1 UNL1 0.1045 19 C -2.4332 -2.1015 1.0471 C.ar 1 UNL1 0.0150 20 C -1.2968 -1.9490 -1.1122 C.ar 1 UNL1 0.0430 21 C 5.0446 -1.4715 -1.7976 C.ar 1 UNL1 -0.0993 22 C 5.3495 -0.1530 -2.1576 C.ar 1 UNL1 -0.1588 23 C -0.0809 2.2330 -0.1621 C.ar 1 UNL1 0.1990 24 C -1.0010 1.7105 1.9852 C.ar 1 UNL1 -0.1079 25 C -3.6482 -2.2674 0.3848 C.ar 1 UNL1 -0.1936 26 C -2.5277 -2.1232 -1.7496 C.ar 1 UNL1 -0.1875 27 C -2.3894 -2.0664 2.5369 C.3 1 UNL1 -0.4428 28 C -0.0651 -1.7561 -1.9252 C.3 1 UNL1 -0.4525 29 C -3.6924 -2.2865 -1.0073 C.ar 1 UNL1 -0.1255 30 C -1.2909 1.9611 -0.7992 C.ar 1 UNL1 -0.2196 31 C -2.2296 1.4400 1.3837 C.ar 1 UNL1 -0.1892 32 C -2.3537 1.5694 0.0047 C.ar 1 UNL1 0.0281 33 H 3.1025 -2.9701 1.4295 H 1 UNL1 0.1918 34 H 2.1151 -2.2210 2.6856 H 1 UNL1 0.1917 35 H 1.7893 3.4187 1.6359 H 1 UNL1 0.1911 36 H 1.3577 2.3122 2.9833 H 1 UNL1 0.1659 37 H 3.9498 -2.7667 -0.4710 H 1 UNL1 0.1738 38 H 5.0018 1.9427 -1.7341 H 1 UNL1 0.1790 39 H 0.0761 -0.9164 1.5174 H 1 UNL1 0.3313 40 H 5.4751 -2.2974 -2.3656 H 1 UNL1 0.1565 41 H 6.0218 0.0391 -2.9928 H 1 UNL1 0.1599 42 H -0.8966 1.6016 3.0661 H 1 UNL1 0.1643 43 H -4.5657 -2.3845 0.9562 H 1 UNL1 0.1533 44 H -2.5735 -2.1292 -2.8368 H 1 UNL1 0.1575 45 H -3.3473 -2.3471 2.9934 H 1 UNL1 0.1529 46 H -2.1328 -1.0621 2.9039 H 1 UNL1 0.1519 47 H -1.6302 -2.7612 2.9301 H 1 UNL1 0.1671 48 H -0.2809 -1.4805 -2.9652 H 1 UNL1 0.1568 49 H 0.5275 -2.6905 -1.9499 H 1 UNL1 0.1870 50 H 0.5893 -0.9768 -1.5113 H 1 UNL1 0.1543 51 H -4.6452 -2.4232 -1.5158 H 1 UNL1 0.1494 52 H -1.3857 2.0527 -1.8828 H 1 UNL1 0.1956 53 H -3.0750 1.1268 1.9971 H 1 UNL1 0.1746 @BOND 1 41 22 1 2 48 28 1 3 44 26 1 4 40 21 1 5 22 21 ar 6 22 17 ar 7 49 28 1 8 28 50 1 9 28 20 1 10 52 30 1 11 21 14 ar 12 26 20 ar 13 26 29 ar 14 38 17 1 15 51 29 1 16 17 10 ar 17 20 18 ar 18 29 25 ar 19 2 23 1 20 1 32 1 21 30 23 ar 22 30 32 ar 23 14 37 1 24 14 8 ar 25 10 8 ar 26 10 13 ar 27 23 15 ar 28 8 9 ar 29 32 31 ar 30 3 13 2 31 4 16 2 32 18 7 1 33 18 19 ar 34 13 5 ar 35 25 43 1 36 25 19 ar 37 16 7 am 38 16 11 1 39 7 39 1 40 19 27 1 41 9 11 1 42 9 6 ar 43 15 12 1 44 15 24 ar 45 31 24 ar 46 31 53 1 47 5 6 ar 48 5 12 1 49 33 11 1 50 11 34 1 51 35 12 1 52 12 36 1 53 24 42 1 54 27 46 1 55 27 47 1 56 27 45 1