@MOLECULE 5-nitroindole 18 19 0 0 0 SMALL USER_CHARGES @ATOM 1 O -3.3276 -0.7202 -0.0004 O.2 1 UNL11111111 -0.4097 2 O -2.8973 1.3855 -0.0000 O.2 1 UNL11111111 -0.4114 3 N 2.9435 -0.7233 -0.0000 N.ar 1 UNL11111111 -0.3683 4 N -2.5432 0.2166 0.0002 N.pl3 1 UNL11111111 0.6372 5 C 1.1436 0.6829 -0.0002 C.ar 1 UNL11111111 -0.0983 6 C 1.5569 -0.6944 -0.0002 C.ar 1 UNL11111111 0.1428 7 C -0.2164 0.9873 0.0002 C.ar 1 UNL11111111 -0.0259 8 C 0.6312 -1.7512 0.0007 C.ar 1 UNL11111111 -0.2329 9 C 2.3442 1.4732 0.0001 C.ar 1 UNL11111111 -0.2187 10 C -1.1204 -0.0705 0.0007 C.ar 1 UNL11111111 -0.1351 11 C -0.7077 -1.4254 -0.0006 C.ar 1 UNL11111111 -0.0595 12 C 3.4139 0.6001 -0.0002 C.ar 1 UNL11111111 -0.0246 13 H -0.5597 2.0265 0.0002 H 1 UNL11111111 0.1889 14 H 0.9627 -2.7845 0.0012 H 1 UNL11111111 0.1684 15 H 2.3812 2.5430 0.0000 H 1 UNL11111111 0.1746 16 H 3.5110 -1.5395 0.0001 H 1 UNL11111111 0.3165 17 H -1.4709 -2.2123 -0.0003 H 1 UNL11111111 0.1872 18 H 4.4690 0.8053 -0.0008 H 1 UNL11111111 0.1688 @BOND 1 18 12 1 2 11 17 1 3 11 8 ar 4 11 10 ar 5 1 4 2 6 12 3 ar 7 12 9 ar 8 5 6 ar 9 5 9 ar 10 5 7 ar 11 6 3 ar 12 6 8 ar 13 2 4 2 14 3 16 1 15 9 15 1 16 4 10 1 17 13 7 1 18 7 10 ar 19 8 14 1