@MOLECULE 4-amino-5-(3,4-dimethoxy-phenyl)-4h-[1,2,4]triazole-3-thiol 29 30 0 0 0 SMALL GASTEIGER @ATOM 1 S 5.1330 -1.1713 -0.5887 S.2 1 UNL11 -0.4694 2 O -2.8349 -1.5027 0.4107 O.3 1 UNL11 -0.3225 3 O -3.9221 1.0775 0.0110 O.3 1 UNL11 -0.2992 4 N 2.4561 -0.6021 -0.3752 N.ar 1 UNL11 -0.2672 5 N 2.4522 1.5452 0.2096 N.ar 1 UNL11 -0.2671 6 N 3.7463 1.1094 0.0633 N.ar 1 UNL11 -0.2612 7 N 1.9727 -1.8728 -0.6885 N.pl3 1 UNL11 -0.3715 8 C 0.1866 0.5769 -0.0408 C.ar 1 UNL11 -0.0735 9 C 1.6367 0.5096 -0.0570 C.ar 1 UNL11 0.2854 10 C -0.5961 -0.5619 0.1880 C.ar 1 UNL11 -0.1734 11 C -0.4243 1.8191 -0.2424 C.ar 1 UNL11 -0.0814 12 C -1.9796 -0.4598 0.2003 C.ar 1 UNL11 0.0955 13 C -2.5993 0.7946 0.0002 C.ar 1 UNL11 0.2041 14 C -1.8093 1.9284 -0.2207 C.ar 1 UNL11 -0.2321 15 C 3.8105 -0.2183 -0.2989 C.ar 1 UNL11 0.3026 16 C -2.2530 -2.7972 0.4947 C.3 1 UNL11 -0.1988 17 C -4.8458 0.0010 0.1062 C.3 1 UNL11 -0.1956 18 H -0.1078 -1.5238 0.3560 H 1 UNL11 0.1907 19 H 0.1870 2.7096 -0.4136 H 1 UNL11 0.1785 20 H -2.2953 2.8918 -0.3741 H 1 UNL11 0.1809 21 H 4.4933 1.7635 0.2362 H 1 UNL11 0.3670 22 H 2.1552 -2.0617 -1.6834 H 1 UNL11 0.2697 23 H 2.4865 -2.5729 -0.1345 H 1 UNL11 0.2753 24 H -1.6118 -2.8792 1.3784 H 1 UNL11 0.1381 25 H -1.7074 -3.0459 -0.4213 H 1 UNL11 0.1398 26 H -3.1369 -3.4393 0.6017 H 1 UNL11 0.1473 27 H -4.7548 -0.5049 1.0736 H 1 UNL11 0.1453 28 H -4.7192 -0.7012 -0.7237 H 1 UNL11 0.1422 29 H -5.8102 0.5220 0.0318 H 1 UNL11 0.1502 @BOND 1 1 15 2 2 2 12 1 3 2 16 1 4 3 13 1 5 3 17 1 6 4 7 1 7 4 9 ar 8 4 15 ar 9 5 6 ar 10 5 9 ar 11 6 15 ar 12 6 21 1 13 7 22 1 14 7 23 1 15 8 9 1 16 8 10 ar 17 8 11 ar 18 10 12 ar 19 10 18 1 20 11 14 ar 21 11 19 1 22 12 13 ar 23 13 14 ar 24 14 20 1 25 16 24 1 26 16 25 1 27 16 26 1 28 17 27 1 29 17 28 1 30 17 29 1