@MOLECULE 9-(5-o-phosphono-beta-d-ribofuranosyl)-6-(phosphonosulfanyl)-9h-purin-1-ium 27 31 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -5.2399 -2.1644 0.0755 P.3 1 UNL1 0.4512 2 O -6.0331 -3.2282 0.6064 O.2 1 UNL1 -0.1618 3 O -3.8987 -2.1855 -0.7366 O.3 1 UNL1 -0.0632 4 O -5.2107 -1.5129 -1.3499 O.3 1 UNL1 -0.0495 5 O -5.1583 -0.9766 1.1743 O.3 1 UNL1 -0.2028 6 C -4.4984 0.0553 1.3520 C.3 1 UNL1 0.3781 7 C -3.4546 0.7048 0.5787 C.3 1 UNL1 -0.1875 8 O -2.2122 0.6198 0.9540 O.3 1 UNL1 0.1248 9 C -3.6569 1.8444 -0.3880 C.2 1 UNL1 0.3182 10 O -4.6630 2.1649 -0.9301 O.2 1 UNL1 -0.2695 11 C -2.2356 2.4837 -0.4650 C.2 1 UNL1 0.3622 12 O -1.9685 3.4579 -1.1067 O.2 1 UNL1 -0.3246 13 C -1.4669 1.6740 0.4267 C.3 1 UNL1 -0.2131 14 N -0.1234 1.5638 0.6835 N.ar 1 UNL1 -0.4235 15 C 0.5151 1.9894 1.8570 C.ar 1 UNL1 0.5240 16 N 1.9672 1.7132 1.6455 N.ar 1 UNL1 -0.4254 17 C 2.1555 1.1974 0.4893 C.ar 1 UNL1 0.0179 18 C 3.2829 0.6171 -0.2779 C.ar 1 UNL1 0.2316 19 S 4.8316 0.5069 0.5982 S.3 1 UNL1 0.2293 20 P 5.6509 -1.3459 -0.0237 P.3 1 UNL1 0.3524 21 O 4.7529 -2.3538 -0.5246 O.2 1 UNL1 -0.2577 22 O 6.8758 -1.6680 0.9265 O.3 1 UNL1 -0.0931 23 O 7.1332 -1.1554 -0.5429 O.3 1 UNL1 -0.0779 24 N 3.0757 0.2465 -1.4905 N.ar 1 UNL1 -0.5737 25 C 1.8844 0.3733 -2.2514 C.ar 1 UNL1 0.6146 26 N 0.6940 0.6040 -1.4677 N.ar 1 UNL1 -0.5840 27 C 0.8021 1.0551 -0.2804 C.ar 1 UNL1 0.3032 @BOND 1 25 24 ar 2 25 26 ar 3 24 18 ar 4 26 27 ar 5 4 3 1 6 4 1 1 7 12 11 2 8 10 9 2 9 3 1 1 10 23 20 1 11 23 22 1 12 21 20 2 13 11 9 1 14 11 13 1 15 9 7 1 16 27 17 ar 17 27 14 ar 18 18 17 ar 19 18 19 1 20 20 19 1 21 20 22 1 22 1 2 2 23 1 5 1 24 13 14 1 25 13 8 1 26 17 16 ar 27 7 8 1 28 7 6 1 29 14 15 ar 30 5 6 1 31 16 15 ar