@MOLECULE 1-[2-fluoro-4-(1h-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1h-pyrazol-5-yl)-4(1h)-pyridazinone 49 53 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F 1.3476 1.1326 1.4665 F 1 UNL1 -0.1191 2 O -1.9852 -3.4805 -0.5500 O.3 1 UNL1 -0.2034 3 O -3.4665 -1.3773 -1.2542 O.2 1 UNL1 -0.3820 4 N 0.4091 -0.7060 -0.4325 N.ar 1 UNL1 -0.1153 5 N -3.5777 1.6543 -0.5304 N.ar 1 UNL1 -0.0906 6 N -0.3700 0.3289 -0.7243 N.ar 1 UNL1 -0.0834 7 N 5.8935 0.4041 0.2596 N.ar 1 UNL1 -0.1241 8 N -4.1922 2.7358 -1.0670 N.ar 1 UNL1 -0.2317 9 N 6.8343 -0.4004 -0.3222 N.ar 1 UNL1 -0.2412 10 C -2.4569 1.2897 -1.2778 C.ar 1 UNL1 0.0786 11 C -1.6499 0.1245 -0.9704 C.ar 1 UNL1 -0.1144 12 C 1.7946 -0.4155 -0.2503 C.ar 1 UNL1 0.0645 13 C -2.3074 -1.2011 -0.9776 C.ar 1 UNL1 0.4113 14 C -0.0542 -2.0232 -0.3542 C.ar 1 UNL1 -0.1653 15 C -4.0983 1.0084 0.6257 C.ar 1 UNL1 0.1663 16 C -1.3674 -2.2841 -0.6018 C.ar 1 UNL1 0.0354 17 C 4.5182 0.1295 0.0946 C.ar 1 UNL1 0.2250 18 C -2.3582 2.2126 -2.3237 C.ar 1 UNL1 -0.2498 19 C 2.2303 0.5183 0.7035 C.ar 1 UNL1 0.2289 20 C 2.7498 -1.0754 -1.0355 C.ar 1 UNL1 -0.1069 21 C 3.5802 0.8046 0.8878 C.ar 1 UNL1 -0.2891 22 C 4.0997 -0.8146 -0.8599 C.ar 1 UNL1 -0.1935 23 C -3.4629 3.0963 -2.1525 C.ar 1 UNL1 -0.0693 24 C -3.2234 0.6935 1.6729 C.ar 1 UNL1 -0.1919 25 C -5.4573 0.6831 0.6891 C.ar 1 UNL1 -0.1356 26 C 6.5000 1.4524 0.9560 C.ar 1 UNL1 -0.0526 27 C -3.7188 0.0129 2.7804 C.ar 1 UNL1 -0.1257 28 C -5.9336 0.0061 1.8082 C.ar 1 UNL1 -0.1252 29 C -5.0677 -0.3354 2.8461 C.ar 1 UNL1 -0.1493 30 C 7.8710 1.2931 0.8043 C.ar 1 UNL1 -0.2677 31 C 8.0354 0.1180 -0.0015 C.ar 1 UNL1 -0.0446 32 C -1.1856 -4.5863 -0.1416 C.3 1 UNL1 -0.2369 33 H 0.6768 -2.7777 -0.0698 H 1 UNL1 0.1845 34 H -1.6159 2.2479 -3.0876 H 1 UNL1 0.1764 35 H 2.4271 -1.7907 -1.7971 H 1 UNL1 0.1803 36 H 3.8885 1.5309 1.6397 H 1 UNL1 0.1918 37 H 4.8471 -1.3364 -1.4680 H 1 UNL1 0.2024 38 H -3.7348 3.9421 -2.7554 H 1 UNL1 0.1784 39 H -2.1747 0.9825 1.6219 H 1 UNL1 0.1694 40 H -6.1227 0.9513 -0.1330 H 1 UNL1 0.1807 41 H 5.9420 2.2055 1.4768 H 1 UNL1 0.1801 42 H -3.0486 -0.2456 3.5982 H 1 UNL1 0.1514 43 H -6.9874 -0.2627 1.8665 H 1 UNL1 0.1536 44 H -5.4458 -0.8757 3.7110 H 1 UNL1 0.1480 45 H 8.6530 1.9062 1.1944 H 1 UNL1 0.1807 46 H 8.9552 -0.3318 -0.3326 H 1 UNL1 0.1867 47 H -0.3797 -4.7775 -0.8552 H 1 UNL1 0.1338 48 H -0.8045 -4.4462 0.8741 H 1 UNL1 0.1365 49 H -1.9155 -5.4093 -0.1628 H 1 UNL1 0.1639 @BOND 1 34 18 1 2 38 23 1 3 18 23 ar 4 18 10 ar 5 23 8 ar 6 35 20 1 7 37 22 1 8 10 11 1 9 10 5 ar 10 3 13 2 11 8 5 ar 12 20 22 ar 13 20 12 ar 14 13 11 ar 15 13 16 ar 16 11 6 ar 17 22 17 ar 18 47 32 1 19 6 4 ar 20 16 2 1 21 16 14 ar 22 2 32 1 23 5 15 1 24 4 14 ar 25 4 12 1 26 14 33 1 27 46 31 1 28 9 31 ar 29 9 7 ar 30 12 19 ar 31 49 32 1 32 32 48 1 33 40 25 1 34 31 30 ar 35 17 7 1 36 17 21 ar 37 7 26 ar 38 15 25 ar 39 15 24 ar 40 25 28 ar 41 19 21 ar 42 19 1 1 43 30 26 ar 44 30 45 1 45 21 36 1 46 26 41 1 47 39 24 1 48 24 27 ar 49 28 43 1 50 28 29 ar 51 27 29 ar 52 27 42 1 53 29 44 1