@MOLECULE 2,8-disulfanyl-3,7-dihydro-6h-purin-6-one 16 17 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -4.0389 0.5432 0.0003 S.2 1 UNL1 -0.3978 2 S 3.7196 1.0522 0.0002 S.2 1 UNL1 -0.3629 3 O 0.7162 -2.8661 0.0001 O.2 1 UNL1 -0.4232 4 N -1.4147 1.2637 -0.0002 N.ar 1 UNL1 -0.4420 5 N -1.7591 -0.9609 -0.0001 N.ar 1 UNL1 -0.3368 6 N 1.0865 1.2123 -0.0002 N.ar 1 UNL1 -0.4601 7 N 2.0001 -0.9956 0.0001 N.ar 1 UNL1 -0.5543 8 C -0.1691 0.6479 -0.0003 C.ar 1 UNL1 0.3040 9 C -0.3725 -0.7382 -0.0003 C.ar 1 UNL1 -0.2136 10 C 0.7292 -1.6626 -0.0001 C.ar 1 UNL1 0.6017 11 C -2.4209 0.2531 -0.0000 C.ar 1 UNL1 0.3946 12 C 2.2112 0.3699 0.0000 C.ar 1 UNL1 0.4565 13 H -1.6029 2.2506 -0.0002 H 1 UNL1 0.3537 14 H -2.1812 -1.8742 -0.0001 H 1 UNL1 0.3608 15 H 1.2180 2.2251 -0.0020 H 1 UNL1 0.3575 16 H 2.8305 -1.6098 0.0003 H 1 UNL1 0.3620 @BOND 1 15 6 1 2 8 9 ar 3 8 4 ar 4 8 6 ar 5 9 5 ar 6 9 10 ar 7 4 13 1 8 4 11 ar 9 6 12 ar 10 14 5 1 11 5 11 ar 12 10 3 2 13 10 7 ar 14 11 1 2 15 12 7 ar 16 12 2 2 17 7 16 1