@MOLECULE 1-pentofuranosyl-2(1h)-pyrazinone 4-oxide 17 16 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.6433 0.0502 -1.1681 O.2 1 UNL1 -0.1489 2 O 0.5266 2.5156 1.3671 O.2 1 UNL1 -0.3373 3 O 2.6538 0.4566 1.7207 O.2 1 UNL1 -0.3441 4 O 3.0358 -2.3437 -0.9338 O.2 1 UNL1 -0.1667 5 O -1.1953 -2.0667 1.6146 O.2 2 UNL2 -0.3301 6 O -1.2684 2.6884 -2.0958 O.2 1 UNL1 -0.1604 7 N -1.9823 -1.9544 -0.5129 N.am 2 UNL2 -0.6755 8 N -3.0435 0.7925 1.2129 N.1 2 UNL2 -0.1168 9 C 0.7902 1.6202 0.6221 C.2 1 UNL1 0.3993 10 C 1.8659 0.5285 0.8259 C.2 1 UNL1 0.4063 11 C 0.2078 1.2948 -0.6743 C.2 1 UNL1 -0.3364 12 C 1.7020 -0.3437 -0.3274 C.2 1 UNL1 -0.3277 13 C 2.4103 -1.4105 -0.6716 C.1 1 UNL1 0.5107 14 C -1.8288 -1.4801 0.7830 C.2 2 UNL2 0.6687 15 C -2.0630 -2.4120 -1.6142 C.1 2 UNL2 0.4579 16 C -2.5093 -0.2108 1.0192 C.1 2 UNL2 -0.0043 17 C -0.5697 2.0362 -1.4513 C.1 1 UNL1 0.5054 @BOND 1 6 17 2 2 15 7 3 3 17 11 2 4 1 11 1 5 1 12 1 6 4 13 2 7 11 9 1 8 13 12 2 9 7 14 am 10 12 10 1 11 9 10 1 12 9 2 2 13 14 16 1 14 14 5 2 15 10 3 2 16 16 8 3