@MOLECULE (2z,2'z)-2,2'-[(1z,2z)-1,2-hydrazinediylidene]bis(3-ethyl-2,3-dihydro-1,3-benzothiazole-6-sulfonic acid) 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.6051 1.1792 0.2086 S.2 1 UNL11 0.1869 2 S 2.6050 -1.1791 0.2085 S.2 1 UNL11 0.1869 3 S -8.1066 0.5222 0.0428 S.O2 1 UNL11 2.4173 4 S 8.1065 -0.5224 0.0428 S.O2 1 UNL11 2.4173 5 O -8.3206 0.5429 -1.6025 O.3 1 UNL11 -0.8393 6 O 8.3206 -0.5431 -1.6025 O.3 1 UNL11 -0.8393 7 O -9.0585 -0.4450 0.5296 O.2 1 UNL11 -0.9136 8 O -8.1445 1.8858 0.4979 O.2 1 UNL11 -0.8909 9 O 9.0586 0.4448 0.5296 O.2 1 UNL11 -0.9137 10 O 8.1443 -1.8860 0.4980 O.2 1 UNL11 -0.8909 11 N -2.5529 -1.4625 0.2877 N.ar 1 UNL11 -0.3903 12 N 2.5530 1.4627 0.2876 N.ar 1 UNL11 -0.3903 13 N -0.3817 -0.5679 0.2207 N.2 1 UNL11 -0.3206 14 N 0.3817 0.5682 0.2208 N.2 1 UNL11 -0.3206 15 C -3.8978 -1.1087 0.2002 C.ar 1 UNL11 0.2500 16 C 3.8978 1.1088 0.2002 C.ar 1 UNL11 0.2500 17 C -4.1260 0.2905 0.1791 C.ar 1 UNL11 -0.2647 18 C 4.1260 -0.2905 0.1791 C.ar 1 UNL11 -0.2647 19 C -2.0780 -2.8441 0.1282 C.3 1 UNL11 -0.0438 20 C 2.0781 2.8442 0.1282 C.3 1 UNL11 -0.0438 21 C -1.6703 -0.3711 0.2283 C.ar 1 UNL11 0.2597 22 C 1.6703 0.3713 0.2283 C.ar 1 UNL11 0.2597 23 C -4.9792 -1.9988 0.1768 C.ar 1 UNL11 -0.2808 24 C 4.9793 1.9988 0.1767 C.ar 1 UNL11 -0.2808 25 C -5.4092 0.7998 0.1358 C.ar 1 UNL11 0.0233 26 C 5.4092 -0.7998 0.1357 C.ar 1 UNL11 0.0233 27 C -6.4849 -0.0939 0.1103 C.ar 1 UNL11 -0.4581 28 C 6.4849 0.0939 0.1103 C.ar 1 UNL11 -0.4581 29 C -6.2663 -1.4753 0.1344 C.ar 1 UNL11 0.0098 30 C 6.2663 1.4752 0.1343 C.ar 1 UNL11 0.0098 31 C -2.0790 -3.2679 -1.3406 C.3 1 UNL11 -0.4715 32 C 2.0791 3.2682 -1.3405 C.3 1 UNL11 -0.4715 33 H -1.0426 -2.9136 0.5525 H 1 UNL11 0.1829 34 H -2.7196 -3.5150 0.7431 H 1 UNL11 0.1443 35 H 1.0427 2.9138 0.5526 H 1 UNL11 0.1829 36 H 2.7197 3.5151 0.7432 H 1 UNL11 0.1443 37 H -4.8205 -3.0726 0.1920 H 1 UNL11 0.1710 38 H 4.8206 3.0727 0.1919 H 1 UNL11 0.1710 39 H -5.5784 1.8866 0.1270 H 1 UNL11 0.1857 40 H 5.5782 -1.8866 0.1269 H 1 UNL11 0.1857 41 H -7.1155 -2.1731 0.1257 H 1 UNL11 0.1745 42 H 7.1156 2.1729 0.1257 H 1 UNL11 0.1745 43 H -3.0786 -3.2117 -1.7858 H 1 UNL11 0.1516 44 H -1.4174 -2.6243 -1.9389 H 1 UNL11 0.1700 45 H -1.7183 -4.2976 -1.4529 H 1 UNL11 0.1620 46 H 3.0787 3.2121 -1.7857 H 1 UNL11 0.1516 47 H 1.4177 2.6246 -1.9389 H 1 UNL11 0.1700 48 H 1.7184 4.2979 -1.4527 H 1 UNL11 0.1620 49 H -9.2256 0.5155 -1.9303 H 1 UNL11 0.3847 50 H 9.2257 -0.5157 -1.9302 H 1 UNL11 0.3847 @BOND 1 1 17 ar 2 1 21 ar 3 2 18 ar 4 2 22 ar 5 3 5 1 6 3 7 2 7 3 8 2 8 3 27 1 9 4 6 1 10 4 9 2 11 4 10 2 12 4 28 1 13 5 49 1 14 6 50 1 15 11 15 ar 16 11 19 1 17 11 21 ar 18 12 16 ar 19 12 20 1 20 12 22 ar 21 13 14 1 22 13 21 2 23 14 22 2 24 15 17 ar 25 15 23 ar 26 16 18 ar 27 16 24 ar 28 17 25 ar 29 18 26 ar 30 19 31 1 31 19 33 1 32 19 34 1 33 20 32 1 34 20 35 1 35 20 36 1 36 23 29 ar 37 23 37 1 38 24 30 ar 39 24 38 1 40 25 27 ar 41 25 39 1 42 26 28 ar 43 26 40 1 44 27 29 ar 45 28 30 ar 46 29 41 1 47 30 42 1 48 31 43 1 49 31 44 1 50 31 45 1 51 32 46 1 52 32 47 1 53 32 48 1