@MOLECULE (1s,2r,5r)-3-(hydroxymethyl)-5-(6-hydroxy-9h-purin-9-yl)cyclopent-3-ene-1,2-diol 31 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.0424 2.1946 -0.0198 O.3 1 UNL1 -0.5702 2 O 3.5499 1.5927 0.0966 O.3 1 UNL1 -0.5700 3 O 5.3389 -0.4502 0.1163 O.3 1 UNL1 -0.5421 4 O -5.0524 -0.9222 0.4873 O.2 1 UNL1 -0.3688 5 N -0.4887 -0.6706 -0.3328 N.ar 1 UNL1 -0.3402 6 N -1.8195 1.4473 -0.4026 N.ar 1 UNL1 -0.5081 7 N -2.1874 -2.0910 0.1556 N.ar 1 UNL1 -0.2723 8 N -4.1432 1.1277 0.0712 N.ar 1 UNL1 -0.5377 9 C 0.8162 -0.1264 -0.6481 C.3 1 UNL1 0.0073 10 C 1.2815 0.9047 0.4516 C.3 1 UNL1 0.0990 11 C 2.7875 0.5715 0.6974 C.3 1 UNL1 0.0994 12 C 2.9937 -0.7593 0.0066 C.2 1 UNL1 -0.1063 13 C 1.9210 -1.1519 -0.6909 C.2 1 UNL1 -0.1770 14 C -1.6469 0.0877 -0.2385 C.ar 1 UNL1 0.2133 15 C 4.3161 -1.4315 0.0926 C.3 1 UNL1 -0.0038 16 C -0.8777 -2.0118 -0.0742 C.ar 1 UNL1 0.0783 17 C -2.7006 -0.8092 0.0627 C.ar 1 UNL1 -0.1706 18 C -4.0601 -0.2980 0.2349 C.ar 1 UNL1 0.5971 19 C -3.1434 1.8982 -0.1939 C.ar 1 UNL1 0.3133 20 H 0.7574 0.4035 -1.6444 H 1 UNL1 0.1841 21 H 0.6792 0.8269 1.3816 H 1 UNL1 0.1618 22 H 3.0480 0.5686 1.7755 H 1 UNL1 0.1462 23 H 1.8038 -2.0489 -1.2767 H 1 UNL1 0.1751 24 H 4.5569 -2.0176 -0.8216 H 1 UNL1 0.1637 25 H 4.3947 -2.0994 0.9721 H 1 UNL1 0.1391 26 H -0.1754 -2.8255 -0.0715 H 1 UNL1 0.1934 27 H 1.8676 2.5879 -0.4051 H 1 UNL1 0.3678 28 H 4.3480 1.2054 -0.3442 H 1 UNL1 0.3626 29 H -1.0137 2.0630 -0.4542 H 1 UNL1 0.3501 30 H 5.5115 -0.1421 1.0312 H 1 UNL1 0.3226 31 H -3.2791 2.9882 -0.3020 H 1 UNL1 0.1925 @BOND 1 20 9 1 2 23 13 1 3 24 15 1 4 13 9 1 5 13 12 2 6 9 5 1 7 9 10 1 8 29 6 1 9 27 1 1 10 6 14 ar 11 6 19 ar 12 28 2 1 13 5 14 ar 14 5 16 ar 15 31 19 1 16 14 17 ar 17 19 8 ar 18 16 26 1 19 16 7 ar 20 1 10 1 21 12 15 1 22 12 11 1 23 17 7 ar 24 17 18 ar 25 8 18 ar 26 15 3 1 27 15 25 1 28 2 11 1 29 3 30 1 30 18 4 2 31 10 11 1 32 10 21 1 33 11 22 1