@MOLECULE beta-thioguanidine deoxyriboside 19 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -4.8851 -0.5065 0.0041 S.2 1 UNL1 0.3488 2 O4* 1.8878 0.3427 -0.0279 O.2 1 UNL1 -0.1391 3 O3* 4.9440 -1.4837 0.0347 O.2 1 UNL1 -0.4057 4 O5* 4.6092 2.3924 -0.0082 O.2 1 UNL1 -0.1582 5 N 0.0993 -1.1701 -0.0118 N.ar 1 UNL1 -0.4721 6 N -0.6392 1.1958 0.0013 N.ar 1 UNL1 -0.3286 7 N -2.0096 -2.0811 -0.0077 N.ar 1 UNL1 -0.4727 8 N -3.1197 1.4266 0.0100 N.ar 1 UNL1 -0.3436 9 N -1.7040 3.2865 0.0119 N.pl3 1 UNL1 -0.0548 10 C1* 1.4742 -1.0008 -0.0090 C.2 1 UNL1 0.3058 11 C2* 2.5384 -1.8104 0.0102 C.2 1 UNL1 -0.1537 12 C3* 3.8026 -1.1191 0.0139 C.2 1 UNL1 0.5063 13 C4* 3.3055 0.2874 -0.0095 C.2 1 UNL1 -0.3580 14 C5* 3.9829 1.4252 -0.0088 C.1 1 UNL1 0.5387 15 C -0.8166 -0.0814 -0.0049 C.ar 1 UNL1 0.2269 16 C -0.5845 -2.4197 -0.0147 C.ar 1 UNL1 0.5489 17 C -2.1705 -0.7959 -0.0031 C.ar 1 UNL1 0.1112 18 C -3.3009 0.1163 0.0043 C.ar 1 UNL1 0.0025 19 C -1.8336 1.9843 0.0081 C.ar 1 UNL1 0.2974 @BOND 1 2 13 1 2 2 10 1 3 16 5 ar 4 16 7 ar 5 5 10 1 6 5 15 ar 7 13 14 2 8 13 12 1 9 10 11 2 10 14 4 2 11 7 17 ar 12 15 17 ar 13 15 6 ar 14 17 18 ar 15 6 19 ar 16 1 18 2 17 18 8 ar 18 19 8 ar 19 19 9 1 20 11 12 1 21 12 3 2