@MOLECULE 1-(beta-ribofuranosyl)-2(1h)-pyrazinone 4-oxide 29 30 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* -1.3300 0.7172 -1.0473 O.3 1 UNL1 -0.3991 2 O2* -1.6476 -2.4567 0.2582 O.3 1 UNL1 -0.5544 3 O3* -3.7890 -0.9466 -0.0645 O.3 1 UNL1 -0.5336 4 O5* -1.2808 3.1199 0.1097 O.3 1 UNL1 -0.5329 5 O 1.0548 -2.3769 -0.0916 O.2 1 UNL1 -0.5558 6 O 4.6217 0.5293 0.3823 O.2 1 UNL1 -0.4023 7 N 0.7408 -0.1580 -0.3761 N.am 1 UNL1 -0.4690 8 N 3.4360 0.2830 0.1558 N.2 1 UNL1 0.4950 9 C2* -1.3859 -1.1088 0.5199 C.3 1 UNL1 0.0429 10 C3* -2.7224 -0.3328 0.6052 C.3 1 UNL1 0.0878 11 C1* -0.6663 -0.4700 -0.7070 C.3 1 UNL1 0.2326 12 C4* -2.4052 0.9834 -0.1434 C.3 1 UNL1 0.0094 13 C5* -1.9733 2.1069 0.8044 C.3 1 UNL1 -0.0502 14 C 1.5917 -1.2851 -0.0976 C.2 1 UNL1 0.6199 15 C 1.2308 1.1139 -0.3666 C.2 1 UNL1 0.1641 16 C 2.9624 -0.9800 0.1554 C.3 1 UNL1 -0.4535 17 C 2.5592 1.3451 -0.0998 C.2 1 UNL1 -0.3612 18 H2* -0.7977 -1.0295 1.4589 H 1 UNL1 0.1506 19 H3* -3.0742 -0.1827 1.6464 H 1 UNL1 0.1518 20 H1* -0.6932 -1.1177 -1.6222 H 1 UNL1 0.1807 21 H4* -3.2370 1.2836 -0.8202 H 1 UNL1 0.1745 22 H5*1 -1.2311 1.7766 1.5562 H 1 UNL1 0.1495 23 H5*2 -2.8417 2.5570 1.3211 H 1 UNL1 0.1346 24 H2* -0.7753 -2.9229 0.1173 H 1 UNL1 0.3750 25 H3* -3.5327 -1.8518 -0.3681 H 1 UNL1 0.3528 26 H 0.5285 1.9487 -0.5720 H 1 UNL1 0.2233 27 H5* -1.7401 3.3494 -0.7258 H 1 UNL1 0.3215 28 H 3.6433 -1.8118 0.3540 H 1 UNL1 0.2304 29 H 2.9842 2.3496 -0.0789 H 1 UNL1 0.2157 @BOND 1 20 11 1 2 1 11 1 3 1 12 1 4 21 12 1 5 27 4 1 6 11 7 1 7 11 9 1 8 26 15 1 9 7 15 1 10 7 14 am 11 25 3 1 12 15 17 2 13 12 10 1 14 12 13 1 15 17 29 1 16 17 8 1 17 14 5 2 18 14 16 1 19 3 10 1 20 4 13 1 21 24 2 1 22 16 8 1 23 16 28 1 24 8 6 2 25 2 9 1 26 9 10 1 27 9 18 1 28 10 19 1 29 13 23 1 30 13 22 1