@MOLECULE 6-chloro-9-hydroxy-1,3-dimethyl-1,9-dihydro-4h-pyrazolo[3,4-b]quinolin-4-one 28 30 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 4.7773 0.5153 0.0166 Cl 1 UNL1 -0.0690 2 O -0.9645 -2.6525 0.4811 O.3 1 UNL1 -0.2873 3 O -0.0423 2.6211 0.0941 O.2 1 UNL1 -0.4352 4 N -0.7572 -1.4914 -0.2769 N.ar 1 UNL1 -0.1432 5 N -3.1333 -0.7743 -0.0987 N.ar 1 UNL1 -0.0507 6 N -3.8266 0.3995 -0.0254 N.ar 1 UNL1 -0.3000 7 C -1.7834 -0.5458 -0.0718 C.ar 1 UNL1 0.1541 8 C -1.5970 0.8572 -0.0052 C.ar 1 UNL1 -0.3674 9 C 0.5668 -0.9589 -0.1013 C.ar 1 UNL1 0.1181 10 C 0.8172 0.4235 -0.0368 C.ar 1 UNL1 -0.1738 11 C -2.9120 1.4085 0.0157 C.ar 1 UNL1 0.2072 12 C -0.2817 1.4384 0.0195 C.ar 1 UNL1 0.5092 13 C 1.6264 -1.8780 -0.1101 C.ar 1 UNL1 -0.1624 14 C 2.1347 0.8811 -0.0076 C.ar 1 UNL1 -0.0785 15 C -3.8445 -2.0387 -0.1159 C.3 1 UNL1 -0.2311 16 C -3.2883 2.8292 0.0678 C.3 1 UNL1 -0.4325 17 C 2.9379 -1.4189 -0.0699 C.ar 1 UNL1 -0.1221 18 C 3.1655 -0.0473 -0.0233 C.ar 1 UNL1 -0.0145 19 H 1.4149 -2.9481 -0.1681 H 1 UNL1 0.1833 20 H 2.3288 1.9612 0.0312 H 1 UNL1 0.2008 21 H -4.7613 -1.9546 -0.7349 H 1 UNL1 0.1787 22 H -3.1984 -2.8337 -0.5415 H 1 UNL1 0.1806 23 H -4.1526 -2.3326 0.9057 H 1 UNL1 0.1628 24 H -2.6735 3.3751 0.8070 H 1 UNL1 0.1851 25 H -3.1087 3.3206 -0.9053 H 1 UNL1 0.1801 26 H -4.3482 2.9795 0.3247 H 1 UNL1 0.1708 27 H 3.7672 -2.1282 -0.0812 H 1 UNL1 0.1739 28 H -0.7894 -2.4557 1.4499 H 1 UNL1 0.2632 @BOND 1 25 16 1 2 21 15 1 3 22 15 1 4 4 9 ar 5 4 7 ar 6 4 2 1 7 19 13 1 8 15 5 1 9 15 23 1 10 13 9 ar 11 13 17 ar 12 9 10 ar 13 5 7 ar 14 5 6 ar 15 27 17 1 16 7 8 ar 17 17 18 ar 18 10 14 ar 19 10 12 ar 20 6 11 ar 21 18 14 ar 22 18 1 1 23 14 20 1 24 8 11 ar 25 8 12 ar 26 11 16 1 27 12 3 2 28 16 26 1 29 16 24 1 30 2 28 1