@MOLECULE n-(4-fluorobenzyl)-2,3-dihydroxy-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide 37 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.0323 0.8104 2.2990 O.2 1 UNL1 -0.5456 2 C -0.0944 0.0108 1.3831 C.2 1 UNL1 0.6390 3 N 1.0266 -0.7008 1.0069 N.am 1 UNL1 -0.5868 4 C 2.2972 -0.5078 1.7105 C.3 1 UNL1 -0.0695 5 C 3.3924 -0.2045 0.7217 C.ar 1 UNL1 -0.0690 6 C 4.5274 -1.0145 0.6661 C.ar 1 UNL1 -0.1240 7 C 5.5483 -0.7336 -0.2392 C.ar 1 UNL1 -0.2204 8 C 5.3932 0.3673 -1.0794 C.ar 1 UNL1 0.1989 9 C 4.2706 1.1945 -1.0473 C.ar 1 UNL1 -0.2239 10 C 3.2677 0.8969 -0.1303 C.ar 1 UNL1 -0.0994 11 C -1.3192 -0.2297 0.5877 C.ar 1 UNL1 -0.3791 12 C -1.6846 -1.4958 0.2000 C.ar 1 UNL1 0.5002 13 O -0.9191 -2.5497 0.5263 O.3 1 UNL1 -0.4461 14 N -2.7835 -1.7015 -0.6196 N.ar 1 UNL1 -0.3473 15 O -3.2166 -3.0314 -0.6369 O.3 1 UNL1 -0.2820 16 C -3.7722 -0.6939 -0.8745 C.ar 1 UNL1 0.5876 17 O -4.7717 -1.0412 -1.4552 O.2 1 UNL1 -0.4693 18 C -3.3709 0.6446 -0.4643 C.ar 1 UNL1 -0.2292 19 C -4.2397 1.7016 -0.7884 C.ar 1 UNL1 -0.0503 20 C -3.9267 2.9934 -0.4120 C.ar 1 UNL1 -0.2031 21 C -2.7412 3.2395 0.2988 C.ar 1 UNL1 -0.0714 22 C -1.8838 2.2054 0.6267 C.ar 1 UNL1 -0.1914 23 C -2.1819 0.8791 0.2559 C.ar 1 UNL1 0.1633 24 F 6.3547 0.6400 -1.9490 F 1 UNL1 -0.1736 25 H 0.9974 -1.4077 0.2942 H 1 UNL1 0.3195 26 H 2.2014 0.3349 2.4467 H 1 UNL1 0.1868 27 H 2.5268 -1.4155 2.3166 H 1 UNL1 0.1414 28 H 4.6228 -1.8722 1.3316 H 1 UNL1 0.1563 29 H 6.4379 -1.3583 -0.2865 H 1 UNL1 0.1731 30 H 4.1795 2.0479 -1.7164 H 1 UNL1 0.1748 31 H 2.3745 1.5234 -0.0750 H 1 UNL1 0.1701 32 H -3.7554 -3.0985 -1.4968 H 1 UNL1 0.3345 33 H -5.1583 1.4855 -1.3410 H 1 UNL1 0.1690 34 H -4.5900 3.8183 -0.6606 H 1 UNL1 0.1566 35 H -2.4998 4.2604 0.5978 H 1 UNL1 0.1504 36 H -0.9747 2.4175 1.1979 H 1 UNL1 0.1947 37 H -1.3147 -3.4247 0.2466 H 1 UNL1 0.3651 @BOND 1 24 8 1 2 30 9 1 3 32 15 1 4 17 16 2 5 33 19 1 6 8 9 ar 7 8 7 ar 8 9 10 ar 9 16 14 ar 10 16 18 ar 11 19 18 ar 12 19 20 ar 13 34 20 1 14 15 14 1 15 14 12 ar 16 18 23 ar 17 20 21 ar 18 29 7 1 19 7 6 ar 20 10 31 1 21 10 5 ar 22 12 13 1 23 12 11 ar 24 37 13 1 25 23 11 ar 26 23 22 ar 27 25 3 1 28 21 35 1 29 21 22 ar 30 11 2 1 31 22 36 1 32 6 5 ar 33 6 28 1 34 5 4 1 35 3 2 am 36 3 4 1 37 2 1 2 38 4 27 1 39 4 26 1