@MOLECULE ethyl 2-amino-benzothiazole-6-carboxylate 25 26 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.3864 -0.6939 -0.0009 C.2 1 UNL1111111111 0.6112 2 S 2.8696 -1.3082 0.0026 S.2 1 UNL1111111111 0.1071 3 C -4.6995 -0.1923 -0.0098 C.3 1 UNL1111111111 0.0103 4 N 2.8639 1.3540 -0.0015 N.ar 1 UNL1111111111 -0.5154 5 O -3.3393 0.2709 -0.0035 O.3 1 UNL1111111111 -0.4263 6 C -5.5211 1.0861 0.0103 C.3 1 UNL1111111111 -0.4639 7 C -1.0354 -0.1126 0.0013 C.ar 1 UNL1111111111 -0.1941 8 C 0.0452 -0.9988 0.0029 C.ar 1 UNL1111111111 -0.0163 9 C 1.3232 -0.4705 0.0021 C.ar 1 UNL1111111111 -0.2571 10 C 3.6950 0.3204 -0.0008 C.ar 1 UNL1111111111 0.3224 11 C 1.5308 0.9384 -0.0001 C.ar 1 UNL1111111111 0.2368 12 C 0.4383 1.8145 -0.0009 C.ar 1 UNL1111111111 -0.2085 13 O -2.6662 -1.8688 -0.0014 O.2 1 UNL1111111111 -0.5174 14 N 5.0428 0.4555 -0.0029 N.pl3 1 UNL1111111111 -0.5775 15 C -0.8402 1.2776 0.0001 C.ar 1 UNL1111111111 -0.0387 16 H -4.8585 -0.7952 -0.9212 H 1 UNL1111111111 0.1344 17 H -4.8599 -0.8241 0.8814 H 1 UNL1111111111 0.1351 18 H -5.3094 1.6832 0.9072 H 1 UNL1111111111 0.1592 19 H -5.2937 1.7199 -0.8571 H 1 UNL1111111111 0.1594 20 H -6.5941 0.8657 -0.0038 H 1 UNL1111111111 0.1527 21 H -0.1375 -2.0791 0.0043 H 1 UNL1111111111 0.1838 22 H 0.6096 2.8899 -0.0023 H 1 UNL1111111111 0.1833 23 H 5.6601 -0.3268 -0.0012 H 1 UNL1111111111 0.3193 24 H 5.4500 1.3746 -0.0047 H 1 UNL1111111111 0.3256 25 H -1.7087 1.9435 -0.0001 H 1 UNL1111111111 0.1749 @BOND 1 1 5 1 2 1 7 1 3 1 13 2 4 2 9 ar 5 2 10 ar 6 3 5 1 7 3 6 1 8 3 16 1 9 3 17 1 10 4 10 ar 11 4 11 ar 12 6 18 1 13 6 19 1 14 6 20 1 15 7 8 ar 16 7 15 ar 17 8 9 ar 18 8 21 1 19 9 11 ar 20 10 14 1 21 11 12 ar 22 12 15 ar 23 12 22 1 24 14 23 1 25 14 24 1 26 15 25 1