@MOLECULE 8-azido-9-(beta-l-ribofuranosyl)-9h-purin-6-amine 22 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -0.5236 0.3293 0.0638 N.pl3 1 UNL1 -0.2540 2 C -1.4717 -0.8130 -0.0035 C.2 1 UNL1 0.4044 3 C1* 0.7812 0.2114 0.0254 C.3 1 UNL1 0.2667 4 C -1.3741 1.5250 0.2811 C.cat 1 UNL1 0.1814 5 C -2.7618 -0.1930 0.1388 C.3 1 UNL1 -0.1982 6 N -0.9145 -1.9726 -0.1620 N.2 1 UNL1 -0.4595 7 O4* 1.2717 -1.0503 -0.0308 O.2 1 UNL1 0.0087 8 C2* 1.8987 1.2568 0.0046 C.2 1 UNL1 0.3065 9 N -2.6431 1.1578 0.3180 N.2 1 UNL1 -0.1299 10 N -0.7854 2.7310 0.5795 N.2 1 UNL1 -0.3891 11 C -3.9971 -0.8537 0.1173 C.1 1 UNL1 0.1613 12 C -1.5688 -3.1459 -0.2480 C.1 1 UNL1 0.2508 13 C4* 2.6914 -0.9609 0.0197 C.2 1 UNL1 -0.4081 14 C3* 3.1766 0.3969 0.0881 C.2 1 UNL1 0.4067 15 O2* 1.7880 2.4259 -0.1333 O.2 1 UNL1 -0.1923 16 N -0.8608 3.7039 -0.2303 N.2 1 UNL1 0.4308 17 N -1.9883 -4.2258 -0.3366 N.1 1 UNL1 -0.2251 18 N -5.0162 -1.4034 0.1010 N.1 1 UNL1 -0.2173 19 C5* 3.3654 -2.1127 0.0129 C.1 1 UNL1 0.5658 20 O3* 4.2879 0.8211 0.1765 O.2 1 UNL1 -0.3023 21 N -0.8328 4.7165 -0.7317 N.2 1 UNL1 -0.1171 22 O5* 3.9722 -3.0859 0.0088 O.2 1 UNL1 -0.0902 @BOND 1 21 16 2 2 17 12 3 3 12 6 1 4 16 10 2 5 6 2 2 6 15 8 2 7 7 13 1 8 7 3 1 9 2 1 1 10 2 5 1 11 8 3 1 12 8 14 1 13 22 19 2 14 19 13 2 15 13 14 1 16 3 1 1 17 1 4 1 18 14 20 2 19 18 11 3 20 11 5 1 21 5 9 1 22 4 9 2 23 4 10 1