@MOLECULE d-threo-hexo-2,5-diulosonate 13 7 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.1175 -0.4260 2.3703 O.2 1 UNL1 -0.4216 2 O 0.4986 2.5578 2.0290 O.2 2 UNL2 -0.4265 3 O -2.7251 -2.7585 -0.4600 O.2 3 UNL3 -0.4319 4 O 3.9885 -2.2511 0.0478 O.2 4 UNL4 -0.4299 5 O 2.5503 0.7097 -0.8878 O.2 5 UNL5 -0.4576 6 O -0.6673 2.0874 -1.9924 O.2 6 UNL6 -0.3317 7 O -2.0395 0.2495 -1.5464 O.2 6 UNL6 -0.3394 8 C -1.1820 0.0632 1.9454 C.2 1 UNL1 0.4265 9 C 0.7645 1.7616 1.2596 C.2 2 UNL2 0.4309 10 C -1.9259 -2.0217 -0.1217 C.2 3 UNL3 0.4313 11 C 1.4159 0.5873 -0.8654 C.2 5 UNL5 0.4494 12 C 2.9564 -1.7793 0.1364 C.2 4 UNL4 0.4285 13 C -1.3469 1.1640 -1.7687 C.1 6 UNL6 0.6720 @BOND 1 6 13 2 2 13 7 2 3 5 11 2 4 3 10 2 5 4 12 2 6 9 2 2 7 8 1 2