@MOLECULE purine, 2-amino-6- (methylthio)- 19 20 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.0770 -1.3275 0.0003 S.3 1 UNL111111111 0.1028 2 N 1.2231 -1.9760 -0.0003 N.ar 1 UNL111111111 -0.3605 3 N 2.9086 -0.4446 0.0002 N.ar 1 UNL111111111 -0.3996 4 N 1.4873 1.5782 0.0002 N.ar 1 UNL111111111 -0.4897 5 N -0.9230 1.0847 0.0001 N.ar 1 UNL111111111 -0.5396 6 N -0.1096 3.2797 -0.0003 N.pl3 1 UNL111111111 -0.5743 7 C 0.6111 -0.7201 -0.0003 C.ar 1 UNL111111111 -0.2264 8 C 1.6995 0.2485 -0.0000 C.ar 1 UNL111111111 0.3556 9 C -0.6998 -0.2300 -0.0001 C.ar 1 UNL111111111 0.1888 10 C 2.5975 -1.7508 0.0001 C.ar 1 UNL111111111 0.1832 11 C 0.1710 1.9421 0.0001 C.ar 1 UNL111111111 0.5243 12 C -3.5240 -0.2325 -0.0002 C.3 1 UNL111111111 -0.4756 13 H 0.7416 -2.8470 -0.0006 H 1 UNL111111111 0.3294 14 H 3.3234 -2.5544 0.0002 H 1 UNL111111111 0.1958 15 H -4.4289 -0.8508 -0.0012 H 1 UNL111111111 0.1699 16 H -3.5396 0.4218 -0.8828 H 1 UNL111111111 0.1808 17 H -3.5410 0.4206 0.8832 H 1 UNL111111111 0.1807 18 H 0.6388 3.9451 0.0004 H 1 UNL111111111 0.3309 19 H -1.0562 3.5956 0.0009 H 1 UNL111111111 0.3235 @BOND 1 1 9 1 2 1 12 1 3 2 7 ar 4 2 10 ar 5 2 13 1 6 3 8 ar 7 3 10 ar 8 4 8 ar 9 4 11 ar 10 5 9 ar 11 5 11 ar 12 6 11 1 13 6 18 1 14 6 19 1 15 7 8 ar 16 7 9 ar 17 10 14 1 18 12 15 1 19 12 16 1 20 12 17 1