@MOLECULE 8-thioxoguanosine 34 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -0.9463 3.4452 -0.0293 S.2 1 UNL1 -0.5088 2 O4* -1.2639 -1.0740 0.9001 O.3 1 UNL1 -0.4191 3 O2* -3.6085 1.1667 0.4769 O.3 1 UNL1 -0.5477 4 O3* -4.3615 -1.1623 -0.2901 O.3 1 UNL1 -0.5224 5 O5* -0.3695 -3.3990 -0.2491 O.3 1 UNL1 -0.5694 6 O 4.4188 1.3651 -0.5587 O.2 1 UNL1 -0.4178 7 N -0.1130 0.8270 0.2371 N.ar 1 UNL1 -0.4271 8 N 1.5090 2.3023 -0.2660 N.ar 1 UNL1 -0.3034 9 N 1.3761 -1.1871 0.4771 N.ar 1 UNL1 -0.5165 10 N 3.7139 -0.7405 -0.0057 N.ar 1 UNL1 -0.6109 11 N 2.9796 -2.9164 0.4406 N.pl3 1 UNL1 -0.6086 12 C1* -1.4022 0.3110 0.7353 C.3 1 UNL1 0.2689 13 C2* -2.5748 0.5714 -0.2570 C.3 1 UNL1 0.0496 14 C3* -3.0624 -0.8409 -0.6869 C.3 1 UNL1 0.0847 15 C4* -2.0767 -1.8173 -0.0088 C.3 1 UNL1 0.0418 16 C5* -1.1752 -2.5214 -1.0250 C.3 1 UNL1 -0.0484 17 C 1.1053 0.1361 0.2147 C.ar 1 UNL1 0.3093 18 C 0.1592 2.1958 -0.0202 C.ar 1 UNL1 0.3759 19 C 2.1122 1.0482 -0.1227 C.ar 1 UNL1 -0.2409 20 C 3.5118 0.6315 -0.2615 C.ar 1 UNL1 0.6244 21 C 2.7346 -1.5641 0.2996 C.ar 1 UNL1 0.5888 22 H1* -1.5983 0.7194 1.7647 H 1 UNL1 0.1895 23 H2* -2.2952 1.1932 -1.1317 H 1 UNL1 0.1688 24 H3* -3.0964 -0.9483 -1.7934 H 1 UNL1 0.1543 25 H4* -2.5922 -2.5519 0.6561 H 1 UNL1 0.1878 26 H5*1 -0.5047 -1.8231 -1.5595 H 1 UNL1 0.1359 27 H5*2 -1.7723 -3.1011 -1.7524 H 1 UNL1 0.1375 28 H2* -3.5449 2.1538 0.4321 H 1 UNL1 0.3619 29 H3* -4.6709 -0.5714 0.4401 H 1 UNL1 0.3501 30 H 2.0134 3.1457 -0.4909 H 1 UNL1 0.3608 31 H 0.6200 -1.8646 0.6084 H 1 UNL1 0.3747 32 H5* 0.0295 -4.0881 -0.8174 H 1 UNL1 0.3287 33 H 3.9434 -3.2104 0.4978 H 1 UNL1 0.3368 34 H 2.2931 -3.5040 0.8697 H 1 UNL1 0.3109 @BOND 1 24 14 1 2 27 16 1 3 26 16 1 4 23 13 1 5 16 5 1 6 16 15 1 7 32 5 1 8 14 4 1 9 14 13 1 10 14 15 1 11 6 20 2 12 30 8 1 13 4 29 1 14 8 19 ar 15 8 18 ar 16 20 19 ar 17 20 10 ar 18 13 3 1 19 13 12 1 20 19 17 ar 21 1 18 2 22 18 7 ar 23 15 25 1 24 15 2 1 25 10 21 ar 26 17 7 ar 27 17 9 ar 28 7 12 1 29 21 11 1 30 21 9 ar 31 28 3 1 32 11 33 1 33 11 34 1 34 9 31 1 35 12 2 1 36 12 22 1