@MOLECULE 2-amino-1,3(2h,4h)-isoquinolinedione 21 22 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7221 -1.6592 0.0113 O.2 1 UNL1111111111 -0.5081 2 O -0.6786 2.3895 -0.0220 O.2 1 UNL1111111111 -0.3978 3 N -1.6879 0.3350 0.0042 N.am 1 UNL1111111111 -0.4447 4 N -2.9425 0.9915 0.0204 N.3 1 UNL1111111111 -0.3664 5 C 0.8633 -0.8921 -0.0055 C.ar 1 UNL1111111111 0.0684 6 C -0.3383 -1.7701 -0.0259 C.3 1 UNL1111111111 -0.3812 7 C 0.7543 0.4988 -0.0009 C.ar 1 UNL1111111111 -0.1819 8 C -1.6641 -1.0668 -0.0019 C.2 1 UNL1111111111 0.5698 9 C -0.5544 1.1947 -0.0071 C.2 1 UNL1111111111 0.6032 10 C 2.1288 -1.4856 0.0012 C.ar 1 UNL1111111111 -0.1993 11 C 1.9048 1.2937 0.0073 C.ar 1 UNL1111111111 -0.0575 12 C 3.2723 -0.6926 0.0091 C.ar 1 UNL1111111111 -0.0853 13 C 3.1619 0.6989 0.0115 C.ar 1 UNL1111111111 -0.1835 14 H -0.3153 -2.4336 -0.9289 H 1 UNL1111111111 0.2051 15 H -0.3144 -2.4848 0.8367 H 1 UNL1111111111 0.2051 16 H 2.2228 -2.5705 -0.0001 H 1 UNL1111111111 0.1605 17 H 1.8094 2.3847 0.0091 H 1 UNL1111111111 0.1779 18 H 4.2567 -1.1604 0.0124 H 1 UNL1111111111 0.1502 19 H 4.0573 1.3171 0.0169 H 1 UNL1111111111 0.1588 20 H -3.4683 0.7141 -0.8123 H 1 UNL1111111111 0.2528 21 H -3.4682 0.6740 0.8390 H 1 UNL1111111111 0.2539 @BOND 1 1 8 2 2 2 9 2 3 3 4 1 4 3 8 am 5 3 9 am 6 4 20 1 7 4 21 1 8 5 6 1 9 5 7 ar 10 5 10 ar 11 6 8 1 12 6 14 1 13 6 15 1 14 7 9 1 15 7 11 ar 16 10 12 ar 17 10 16 1 18 11 13 ar 19 11 17 1 20 12 13 ar 21 12 18 1 22 13 19 1