@MOLECULE 2-amino-8-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-3,7-dihydro-6h-purin-6-one 22 24 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.3002 1.0811 -0.0428 S.3 1 UNL11 0.9209 2 O -3.7999 -2.9017 -0.2620 O.2 1 UNL11 -0.2432 3 O 3.4338 2.8405 -0.1579 O.2 1 UNL11 -0.3473 4 N -1.6579 -0.7020 -0.1288 N.ar 1 UNL11 -0.2317 5 N -4.7025 1.1305 0.1828 N.ar 1 UNL11 -0.2968 6 N -2.2994 1.5424 0.1108 N.ar 1 UNL11 -0.2899 7 N -5.3494 -1.2693 -0.0295 N.ar 1 UNL11 -0.3386 8 N -6.9166 0.4024 0.2080 N.pl3 1 UNL11 -0.0599 9 C -2.9772 -0.6686 -0.0708 C.ar 1 UNL11 -0.1333 10 C -3.4301 0.7521 0.0862 C.ar 1 UNL11 0.1941 11 C -1.2543 0.6482 -0.0188 C.ar 1 UNL11 -0.1567 12 C 1.6645 1.3516 -0.0675 C.3 1 UNL11 -0.2476 13 C 3.9886 0.5647 -0.0290 C.ar 1 UNL11 -0.0998 14 C -3.9956 -1.7187 -0.1326 C.ar 1 UNL11 0.4903 15 C 3.0599 1.6914 -0.0911 C.2 1 UNL11 0.4837 16 C -5.6506 0.0727 0.1194 C.ar 1 UNL11 0.2927 17 C 5.9628 -1.7333 0.1183 C.ar 1 UNL11 -0.4352 18 C 5.3902 0.6321 -0.0487 C.ar 1 UNL11 0.0065 19 C 3.7012 -0.8063 0.0715 C.ar 1 UNL11 -0.0308 20 C 6.2441 -0.3393 0.0139 C.ar 1 UNL11 -0.0180 21 C 4.5396 -1.7899 0.1359 C.ar 1 UNL11 -0.0029 22 C 6.8459 -2.7484 0.1864 C.3 1 UNL11 0.5435 @BOND 1 1 11 1 2 1 12 1 3 2 14 2 4 3 15 2 5 4 9 ar 6 4 11 ar 7 5 10 ar 8 5 16 ar 9 6 10 ar 10 6 11 ar 11 7 14 ar 12 7 16 ar 13 8 16 1 14 9 10 ar 15 9 14 ar 16 12 15 1 17 13 15 1 18 13 18 ar 19 13 19 ar 20 17 20 ar 21 17 21 ar 22 17 22 1 23 18 20 ar 24 19 21 ar