@MOLECULE (2R,3S,5R)-5-(6-amino-8-azido-purine-1,3,7-triium-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol 33 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* -1.4836 1.4749 0.6101 O.3 1 UNL1 -0.4096 2 O3* -4.1405 0.8439 -1.3143 O.3 1 UNL1 -0.5631 3 O5* -3.5871 -0.6078 2.4129 O.3 1 UNL1 -0.5436 4 N 0.3618 0.6059 -0.4989 N.ar 1 UNL1 -0.3703 5 N 2.5221 0.0800 0.1259 N.ar 1 UNL1 -0.4152 6 N -0.4973 -1.7270 -0.6904 N.ar 1 UNL1 -0.5225 7 N 1.8800 2.4521 -0.0820 N.2 1 UNL1 -0.4131 8 N 1.1827 -3.4083 -0.2280 N.ar 1 UNL1 -0.5600 9 N 3.3890 -2.8925 0.3668 N.pl3 1 UNL1 -0.5460 10 N 2.9993 2.8858 0.2928 N.2 1 UNL1 0.4680 11 N 3.9086 3.4848 0.5944 N.2 1 UNL1 -0.1205 12 C1* -0.8374 1.4532 -0.6363 C.3 1 UNL1 0.3232 13 C3* -2.9400 0.2539 -0.8574 C.3 1 UNL1 0.1409 14 C2* -1.8151 0.9033 -1.6798 C.3 1 UNL1 -0.3549 15 C4* -2.6690 0.6779 0.6048 C.3 1 UNL1 0.0126 16 C5* -2.4566 -0.4887 1.5755 C.3 1 UNL1 -0.0407 17 C 0.4458 -0.7853 -0.4356 C.ar 1 UNL1 0.3069 18 C 1.6486 1.0709 -0.1160 C.ar 1 UNL1 0.3879 19 C 1.7992 -1.0958 -0.0648 C.ar 1 UNL1 -0.1885 20 C 2.1437 -2.4698 0.0310 C.ar 1 UNL1 0.4636 21 C -0.0614 -3.0007 -0.5698 C.ar 1 UNL1 0.2960 22 H1* -0.5007 2.5099 -0.8046 H 1 UNL1 0.1758 23 H3* -2.9997 -0.8451 -0.9987 H 1 UNL1 0.1502 24 H2*1 -1.3487 0.1818 -2.3742 H 1 UNL1 0.1834 25 H2*2 -2.2263 1.7175 -2.3110 H 1 UNL1 0.1870 26 H4* -3.4590 1.3722 0.9735 H 1 UNL1 0.1626 27 H5*1 -1.5398 -0.3501 2.1775 H 1 UNL1 0.1385 28 H5*2 -2.4096 -1.4752 1.0744 H 1 UNL1 0.1627 29 H3* -4.9140 0.4127 -0.9001 H 1 UNL1 0.3216 30 H5* -3.6027 0.1067 3.0804 H 1 UNL1 0.3130 31 H -0.7988 -3.7989 -0.7689 H 1 UNL1 0.2013 32 H 4.1035 -2.2171 0.5627 H 1 UNL1 0.3285 33 H 3.6017 -3.8687 0.4269 H 1 UNL1 0.3244 @BOND 1 24 14 1 2 25 14 1 3 14 13 1 4 14 12 1 5 2 29 1 6 2 13 1 7 23 13 1 8 13 15 1 9 22 12 1 10 31 21 1 11 6 21 ar 12 6 17 ar 13 12 4 1 14 12 1 1 15 21 8 ar 16 4 17 ar 17 4 18 ar 18 17 19 ar 19 8 20 ar 20 18 7 1 21 18 5 ar 22 7 10 2 23 19 20 ar 24 19 5 ar 25 20 9 1 26 10 11 2 27 9 33 1 28 9 32 1 29 15 1 1 30 15 26 1 31 15 16 1 32 28 16 1 33 16 27 1 34 16 3 1 35 3 30 1