@MOLECULE 5'-s-isobutyl-5'-thioinosine 23 26 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -2.2481 0.8736 -1.0962 S.3 1 UNL1 1.1569 2 O 3.8847 0.5031 1.0971 O.2 1 UNL1 -0.3123 3 O 2.7215 1.4726 -1.6815 O.2 1 UNL1 -0.2767 4 O 1.9513 3.4569 0.6989 O.2 1 UNL1 -0.2753 5 O -1.1627 -4.0730 -0.3333 O.2 1 UNL1 -0.2213 6 N 2.2837 -0.9239 0.3507 N.ar 1 UNL1 -0.6174 7 N 1.6215 -3.1200 0.7493 N.ar 1 UNL1 -0.4261 8 N 0.1762 -0.2499 -0.6810 N.ar 1 UNL1 -0.5111 9 N -1.6250 -1.8438 -0.6190 N.ar 1 UNL1 -0.4700 10 C 1.4877 2.5570 0.0590 C.2 1 UNL1 0.4010 11 C 2.3901 1.4532 -0.5348 C.2 1 UNL1 0.2920 12 C 0.1180 2.3278 -0.2691 C.1 1 UNL1 -0.0603 13 C 2.9341 0.3522 0.3912 C.2 1 UNL1 0.5038 14 C -0.9721 1.8860 -0.5748 C.1 1 UNL1 -0.2131 15 C 0.9747 -1.0998 -0.1520 C.ar 1 UNL1 0.2944 16 C 2.7450 -2.1545 0.9337 C.ar 1 UNL1 0.6171 17 C 0.6249 -2.5599 0.1731 C.ar 1 UNL1 0.0425 18 C -3.3571 0.9067 -0.0062 C.3 1 UNL1 -0.7552 19 C -3.6291 1.0135 1.4170 C.2 1 UNL1 -0.7523 20 C -0.7680 -2.9502 -0.2729 C.ar 1 UNL1 0.5145 21 C -3.3698 1.1561 2.6684 C.2 1 UNL1 0.3903 22 C -4.7031 0.7796 0.4078 C.3 1 UNL1 0.5035 23 C -1.1894 -0.6531 -0.7895 C.ar 1 UNL1 0.1749 @BOND 1 3 11 2 2 1 23 1 3 1 14 1 4 1 18 1 5 23 8 ar 6 23 9 ar 7 8 15 ar 8 9 20 ar 9 14 12 3 10 11 10 1 11 11 13 1 12 5 20 2 13 20 17 ar 14 12 10 1 15 15 17 ar 16 15 6 ar 17 18 22 1 18 18 19 1 19 10 4 2 20 17 7 ar 21 6 13 am 22 6 16 ar 23 13 2 2 24 22 19 1 25 7 16 ar 26 19 21 2