@MOLECULE 3-bromo-7-nitro-1h-indazole 17 18 0 0 0 SMALL USER_CHARGES @ATOM 1 BR -3.0611 0.0285 -0.0006 Br 1 UNL11111111 0.0585 2 O 4.5788 -0.0624 -0.0088 O.2 1 UNL11111111 -0.4294 3 O 3.3972 1.7362 0.0077 O.2 1 UNL11111111 -0.3413 4 N -0.7291 1.6092 -0.0006 N.ar 1 UNL11111111 -0.1032 5 N 0.6209 1.6176 -0.0010 N.ar 1 UNL11111111 -0.2130 6 N 3.5046 0.5270 -0.0004 N.pl3 1 UNL11111111 0.6291 7 C -0.1569 -0.5553 0.0008 C.ar 1 UNL11111111 -0.1318 8 C 1.0152 0.3081 0.0000 C.ar 1 UNL11111111 0.0873 9 C 2.3033 -0.2904 0.0003 C.ar 1 UNL11111111 -0.0935 10 C -0.0154 -1.9566 0.0019 C.ar 1 UNL11111111 -0.0447 11 C -1.2440 0.3384 0.0003 C.ar 1 UNL11111111 -0.0492 12 C 2.4048 -1.6633 0.0016 C.ar 1 UNL11111111 -0.0319 13 C 1.2482 -2.4905 0.0026 C.ar 1 UNL11111111 -0.2054 14 H -0.9055 -2.5868 0.0021 H 1 UNL11111111 0.1651 15 H 3.3936 -2.1425 0.0017 H 1 UNL11111111 0.1908 16 H 1.3916 -3.5717 0.0040 H 1 UNL11111111 0.1703 17 H -1.2127 2.4936 0.0012 H 1 UNL11111111 0.3422 @BOND 1 2 6 2 2 5 4 ar 3 5 8 ar 4 1 11 1 5 4 11 ar 6 4 17 1 7 6 9 1 8 6 3 2 9 8 9 ar 10 8 7 ar 11 9 12 ar 12 11 7 ar 13 7 10 ar 14 12 15 1 15 12 13 ar 16 10 14 1 17 10 13 ar 18 13 16 1