@MOLECULE 2-amino-6-methoxybenzothiazole 20 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -1.6039 1.4362 0.0082 S.2 1 UNL1 0.0713 2 O 3.4546 -0.0731 -0.0075 O.3 1 UNL1 -0.3076 3 N -1.9440 -1.1985 0.0314 N.ar 1 UNL1 -0.4729 4 N -3.9932 -0.0166 -0.0681 N.pl3 1 UNL1 -0.5899 5 C -0.1743 0.4054 0.0109 C.ar 1 UNL1 -0.1347 6 C -0.5628 -0.9548 0.0099 C.ar 1 UNL1 0.1007 7 C 1.1623 0.7782 0.0068 C.ar 1 UNL1 -0.2644 8 C 2.1062 -0.2466 -0.0013 C.ar 1 UNL1 0.2293 9 C 0.4073 -1.9708 -0.0027 C.ar 1 UNL1 -0.0923 10 C 1.7415 -1.6106 -0.0074 C.ar 1 UNL1 -0.2203 11 C -2.6322 -0.0760 0.0182 C.ar 1 UNL1 0.3023 12 C 3.9377 1.2629 -0.0114 C.3 1 UNL1 -0.2029 13 H 1.4525 1.8235 0.0143 H 1 UNL1 0.1724 14 H 0.0939 -3.0153 -0.0074 H 1 UNL1 0.1792 15 H 2.5291 -2.3637 -0.0158 H 1 UNL1 0.1783 16 H -4.4840 0.8331 0.1111 H 1 UNL1 0.3106 17 H -4.5177 -0.8692 0.0281 H 1 UNL1 0.3176 18 H 3.6326 1.7924 0.8964 H 1 UNL1 0.1346 19 H 3.6183 1.7934 -0.9138 H 1 UNL1 0.1350 20 H 5.0308 1.1131 -0.0201 H 1 UNL1 0.1538 @BOND 1 19 12 1 2 4 11 1 3 4 17 1 4 4 16 1 5 20 12 1 6 15 10 1 7 12 2 1 8 12 18 1 9 2 8 1 10 10 9 ar 11 10 8 ar 12 14 9 1 13 9 6 ar 14 8 7 ar 15 7 5 ar 16 7 13 1 17 1 5 ar 18 1 11 ar 19 6 5 ar 20 6 3 ar 21 11 3 ar