@MOLECULE allopurinol 14 15 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.8223 1.8666 -0.0102 O.2 1 UNL11 -0.3979 2 N -2.0612 -0.7591 -0.1163 N.ar 1 UNL11 -0.3203 3 N -2.4279 0.6140 0.1108 N.ar 1 UNL11 -0.3196 4 N 0.1097 -1.8663 0.0209 N.ar 1 UNL11 -0.5419 5 N 2.0540 -0.4152 0.0076 N.ar 1 UNL11 -0.5406 6 C -0.1658 0.5900 -0.0149 C.ar 1 UNL11 -0.4044 7 C -0.6430 -0.7961 -0.0158 C.ar 1 UNL11 0.3798 8 C -1.2678 1.4004 0.0001 C.ar 1 UNL11 0.1682 9 C 1.2907 0.7874 -0.0042 C.ar 1 UNL11 0.6001 10 C 1.4979 -1.5916 0.0134 C.ar 1 UNL11 0.3234 11 H -1.3381 2.4841 0.0064 H 1 UNL11 0.2000 12 H -2.6072 -1.3998 0.4677 H 1 UNL11 0.3254 13 H -3.2776 0.8581 -0.3988 H 1 UNL11 0.3259 14 H 2.1256 -2.5012 0.0224 H 1 UNL11 0.2020 @BOND 1 1 9 2 2 2 3 ar 3 2 7 ar 4 2 12 1 5 3 8 ar 6 3 13 1 7 4 7 ar 8 4 10 ar 9 5 9 ar 10 5 10 ar 11 6 7 ar 12 6 8 ar 13 6 9 ar 14 8 11 1 15 10 14 1