@MOLECULE 9h-purine-6-thiol, 9-(6-deoxy-.beta.-d-allofuranosyl)- 34 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -4.9077 -1.2220 0.3851 S.2 1 UNL1 -0.1477 2 O 2.0611 -0.3962 -1.2386 O.3 1 UNL1 -0.3886 3 O 3.8558 1.8880 -0.1208 O.3 1 UNL1 -0.5449 4 O 1.3958 2.7452 0.0668 O.3 1 UNL1 -0.5465 5 O 3.8997 -1.4574 1.6783 O.3 1 UNL1 -0.5600 6 N -0.1634 -0.1208 -0.6742 N.ar 1 UNL1 -0.3850 7 N -1.7316 -1.7497 -0.5127 N.ar 1 UNL1 -0.2925 8 N -1.6171 1.8182 -0.0360 N.ar 1 UNL1 -0.4954 9 N -3.8706 1.1727 0.4580 N.ar 1 UNL1 -0.4441 10 C 3.1378 -0.3629 -0.3003 C.3 1 UNL1 0.0171 11 C 3.0258 0.9380 0.5124 C.3 1 UNL1 0.0594 12 C 1.5549 1.3824 0.3123 C.3 1 UNL1 0.0392 13 C 1.0908 0.5756 -0.9408 C.3 1 UNL1 0.2350 14 C 3.0079 -1.6154 0.5988 C.3 1 UNL1 0.1413 15 C -1.3474 0.4875 -0.2869 C.ar 1 UNL1 0.1861 16 C 3.2839 -2.8868 -0.1864 C.3 1 UNL1 -0.4959 17 C -0.4558 -1.5029 -0.8070 C.ar 1 UNL1 0.1116 18 C -2.3251 -0.5393 -0.1851 C.ar 1 UNL1 -0.0778 19 C -3.6715 -0.1988 0.2104 C.ar 1 UNL1 0.2288 20 C -2.9470 2.0775 0.3546 C.ar 1 UNL1 0.2779 21 H 4.0481 -0.3786 -0.9383 H 1 UNL1 0.1733 22 H 3.3084 0.8143 1.5780 H 1 UNL1 0.1663 23 H 0.9309 1.1952 1.2140 H 1 UNL1 0.1719 24 H 0.9924 1.2040 -1.8642 H 1 UNL1 0.1724 25 H 2.0128 -1.6444 1.1042 H 1 UNL1 0.1582 26 H 4.3140 -2.9341 -0.5568 H 1 UNL1 0.1512 27 H 2.6234 -2.9657 -1.0622 H 1 UNL1 0.1729 28 H 3.1163 -3.7787 0.4335 H 1 UNL1 0.1682 29 H 4.2905 2.4670 0.5409 H 1 UNL1 0.3301 30 H 2.1461 3.0913 -0.4830 H 1 UNL1 0.3526 31 H 0.2899 -2.2169 -1.1157 H 1 UNL1 0.2032 32 H 4.8109 -1.7160 1.4377 H 1 UNL1 0.3228 33 H -0.8784 2.5098 -0.0372 H 1 UNL1 0.3443 34 H -3.1775 3.1347 0.5652 H 1 UNL1 0.1944 @BOND 1 24 13 1 2 2 13 1 3 2 10 1 4 31 17 1 5 27 16 1 6 13 6 1 7 13 12 1 8 21 10 1 9 17 6 ar 10 17 7 ar 11 6 15 ar 12 26 16 1 13 7 18 ar 14 30 4 1 15 10 11 1 16 10 14 1 17 15 18 ar 18 15 8 ar 19 16 28 1 20 16 14 1 21 18 19 ar 22 3 11 1 23 3 29 1 24 33 8 1 25 8 20 ar 26 4 12 1 27 19 1 2 28 19 9 ar 29 12 11 1 30 12 23 1 31 20 9 ar 32 20 34 1 33 11 22 1 34 14 25 1 35 14 5 1 36 32 5 1