@MOLECULE 6-methylmercaptopurine 17 18 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.1040 -0.9881 0.0011 S.3 1 UNL11 0.1034 2 N -1.1835 -1.6921 -0.0001 N.ar 1 UNL11 -0.3642 3 N -2.8923 -0.1857 -0.0007 N.ar 1 UNL11 -0.3682 4 N -1.4825 1.8576 0.0000 N.ar 1 UNL11 -0.3749 5 N 0.8902 1.4085 0.0007 N.ar 1 UNL11 -0.4602 6 C -0.5930 -0.4330 0.0003 C.ar 1 UNL11 -0.1486 7 C -1.6924 0.5211 -0.0001 C.ar 1 UNL11 0.2848 8 C 0.7114 0.0846 0.0007 C.ar 1 UNL11 0.1332 9 C -2.5686 -1.4851 -0.0007 C.ar 1 UNL11 0.1719 10 C -0.1984 2.2398 0.0003 C.ar 1 UNL11 0.2183 11 C 3.5332 0.1289 -0.0026 C.3 1 UNL11 -0.4743 12 H -0.6947 -2.5613 0.0000 H 1 UNL11 0.3330 13 H -3.2798 -2.3020 -0.0012 H 1 UNL11 0.2011 14 H 0.0165 3.3221 0.0002 H 1 UNL11 0.2076 15 H 4.4476 -0.4757 -0.0011 H 1 UNL11 0.1712 16 H 3.5410 0.7867 0.8780 H 1 UNL11 0.1830 17 H 3.5406 0.7815 -0.8869 H 1 UNL11 0.1829 @BOND 1 1 8 1 2 1 11 1 3 2 6 ar 4 2 9 ar 5 2 12 1 6 3 7 ar 7 3 9 ar 8 4 7 ar 9 4 10 ar 10 5 8 ar 11 5 10 ar 12 6 7 ar 13 6 8 ar 14 9 13 1 15 10 14 1 16 11 15 1 17 11 16 1 18 11 17 1