@MOLECULE benzothiazolium, 2-((4-(dimethylamino)phenyl)azo)-6-methoxy-3-methyl- 23 27 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -2.3659 2.1074 0.0007 S.2 1 UNL1 0.3188 2 O -6.7424 -0.7650 0.0944 O.3 1 UNL1 -0.3078 3 N -1.1373 -0.2684 -0.0750 N.ar 1 UNL1 -0.4379 4 N 6.8028 -0.3598 0.0702 N.pl3 1 UNL1 -0.3667 5 N 0.4112 1.3854 -0.0386 N.2 1 UNL1 -0.2304 6 N 1.0022 0.1009 -0.0772 N.pl3 1 UNL1 -0.3020 7 C -2.4916 -0.5718 -0.0575 C.ar 1 UNL1 0.2251 8 C -3.3406 0.6342 -0.0100 C.ar 1 UNL1 -0.1938 9 C -0.8821 1.1679 -0.0383 C.ar 1 UNL1 0.0806 10 C -3.2361 -1.7098 -0.0622 C.ar 1 UNL1 -0.1182 11 C -4.6906 0.4992 0.0298 C.ar 1 UNL1 -0.2622 12 C 0.0708 -0.9604 -0.1008 C.3 1 UNL1 0.4047 13 C -5.2936 -0.6941 0.0254 C.ar 1 UNL1 0.1125 14 C -4.5073 -1.8009 -0.0235 C.ar 1 UNL1 -0.0569 15 C 5.4293 -0.2368 0.0163 C.ar 1 UNL1 0.1381 16 C 2.3795 0.0233 -0.0614 C.ar 1 UNL1 0.3410 17 C 4.4466 -1.2328 -0.0498 C.ar 1 UNL1 -0.0022 18 C 4.6343 0.9154 0.0249 C.ar 1 UNL1 -0.0312 19 C 3.1842 -1.1262 -0.0829 C.ar 1 UNL1 -0.1157 20 C 3.3705 1.0137 -0.0079 C.ar 1 UNL1 -0.0661 21 C 7.8524 -1.2175 0.1221 C.3 1 UNL1 0.0919 22 C 7.9894 0.2975 0.1159 C.3 1 UNL1 0.1005 23 C -7.8737 -0.6079 0.1730 C.3 1 UNL1 0.6778 @BOND 1 12 6 1 2 12 3 1 3 19 16 ar 4 19 17 ar 5 6 16 1 6 6 5 1 7 3 7 ar 8 3 9 ar 9 10 7 ar 10 10 14 ar 11 16 20 ar 12 7 8 ar 13 17 15 ar 14 5 9 2 15 9 1 ar 16 14 13 ar 17 8 1 ar 18 8 11 ar 19 20 18 ar 20 15 18 ar 21 15 4 1 22 13 11 ar 23 13 2 1 24 4 22 1 25 4 21 1 26 2 23 1 27 22 21 1