@MOLECULE 9-pentofuranosyl-9h-purine-6-thiol 19 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 5.0120 -0.3027 0.1064 S.2 1 UNL1 0.0542 2 O4* -1.7779 -0.6811 0.0685 O.2 1 UNL1 -0.1375 3 O2* -2.3584 2.7892 -0.1786 O.2 1 UNL1 -0.2235 4 O3* -4.8271 1.1202 -0.0799 O.2 1 UNL1 -0.3391 5 O5* -4.4428 -2.7568 0.2201 O.2 1 UNL1 -0.1404 6 N -0.0508 0.8777 -0.0841 N.2 1 UNL1 -0.3773 7 N 0.7096 -1.4350 0.0941 N.2 1 UNL1 -0.4345 8 N 2.6767 1.6904 0.1546 N.1 1 UNL1 -0.5162 9 N 3.0351 -1.9378 -0.4398 N.am 1 UNL1 -0.3850 10 C1* -1.2991 0.6039 -0.0401 C.2 1 UNL1 0.2849 11 C2* -2.4333 1.6077 -0.1041 C.2 1 UNL1 0.3126 12 C3* -3.6980 0.7294 -0.0443 C.2 1 UNL1 0.3953 13 C4* -3.1900 -0.6219 0.0594 C.2 1 UNL1 -0.3535 14 C5* -3.8474 -1.7752 0.1473 C.1 1 UNL1 0.5431 15 C 0.9937 -0.0187 -0.0466 C.2 1 UNL1 0.2863 16 C 2.9370 2.8445 0.2643 C.1 1 UNL1 0.3925 17 C 2.3322 0.3802 0.0091 C.3 1 UNL1 0.0606 18 C 3.4591 -0.6045 -0.0367 C.2 1 UNL1 0.1330 19 C 1.7966 -2.0271 -0.2113 C.3 1 UNL1 0.4446 @BOND 1 9 19 1 2 9 18 1 3 19 7 1 4 3 11 2 5 11 12 1 6 11 10 1 7 6 15 1 8 6 10 2 9 4 12 2 10 15 17 1 11 15 7 2 12 12 13 1 13 10 2 1 14 18 17 1 15 18 1 2 16 17 8 1 17 13 2 1 18 13 14 2 19 14 5 2 20 8 16 3