@MOLECULE 5-amino-3-(beta-d-ribofuranosyl)imidazo[4,5-d][1,3]oxazin-7(3h)-one 32 34 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* 1.6050 0.3897 -1.0710 O.3 1 UNL1 -0.3949 2 O2* 3.0743 2.0372 1.2491 O.3 1 UNL1 -0.5110 3 O3* 4.6421 0.4041 0.0605 O.3 1 UNL1 -0.5297 4 O5* 1.3390 -1.9944 -2.2282 O.3 1 UNL1 -0.5093 5 O -3.8284 0.2938 -0.2747 O.2 1 UNL1 -0.5015 6 O -4.2668 -1.5678 0.7985 O.2 1 UNL1 -0.3179 7 N 0.0975 0.1277 0.6756 N.ar 1 UNL1 -0.3735 8 N -1.1303 -1.6185 1.4784 N.ar 1 UNL1 -0.2471 9 N -1.7019 1.3788 -0.4591 N.ar 1 UNL1 -0.5975 10 N -3.6850 2.2325 -1.3935 N.pl3 1 UNL1 -0.5655 11 C2* 2.4763 0.7848 1.1118 C.3 1 UNL1 0.0328 12 C1* 1.2329 0.8968 0.1873 C.3 1 UNL1 0.2321 13 C3* 3.4165 -0.2125 0.3706 C.3 1 UNL1 0.0395 14 C4* 2.7341 -0.4777 -0.9842 C.3 1 UNL1 0.0228 15 C5* 2.2458 -1.9246 -1.1530 C.3 1 UNL1 -0.0501 16 C -1.2088 0.3332 0.2640 C.ar 1 UNL1 0.3663 17 C 0.0886 -1.1060 1.4035 C.ar 1 UNL1 0.0717 18 C -1.9710 -0.7564 0.7782 C.ar 1 UNL1 -0.2874 19 C -3.3649 -0.8452 0.5405 C.ar 1 UNL1 0.6563 20 C -3.0243 1.2817 -0.6854 C.ar 1 UNL1 0.6501 21 H2* 2.2388 0.5005 2.1567 H 1 UNL1 0.1684 22 H1* 0.9096 1.9549 -0.0178 H 1 UNL1 0.1985 23 H3* 3.6185 -1.1289 0.9578 H 1 UNL1 0.1377 24 H4* 3.3676 -0.1577 -1.8461 H 1 UNL1 0.1847 25 H5*1 1.7552 -2.3209 -0.2467 H 1 UNL1 0.1231 26 H5*2 3.0684 -2.6004 -1.4556 H 1 UNL1 0.1541 27 H2* 3.4382 2.3531 0.3825 H 1 UNL1 0.3372 28 H3* 5.0810 0.7323 0.8795 H 1 UNL1 0.3308 29 H 0.9777 -1.5131 1.8492 H 1 UNL1 0.1875 30 H5* 0.6060 -1.3543 -2.0657 H 1 UNL1 0.3256 31 H -3.1835 3.0114 -1.7820 H 1 UNL1 0.3354 32 H -4.6657 2.1389 -1.5797 H 1 UNL1 0.3309 @BOND 1 4 30 1 2 4 15 1 3 24 14 1 4 31 10 1 5 32 10 1 6 26 15 1 7 10 20 1 8 15 14 1 9 15 25 1 10 1 14 1 11 1 12 1 12 14 13 1 13 20 9 ar 14 20 5 ar 15 9 16 ar 16 5 19 ar 17 22 12 1 18 3 13 1 19 3 28 1 20 12 7 1 21 12 11 1 22 16 7 ar 23 16 18 ar 24 13 23 1 25 13 11 1 26 27 2 1 27 19 18 ar 28 19 6 2 29 7 17 ar 30 18 8 ar 31 11 2 1 32 11 21 1 33 17 8 ar 34 17 29 1