@MOLECULE [(z)-methyl-nno-azoxy]methyl beta-d-glucopyranosiduronic acid 18 15 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.8034 0.7885 -1.2841 O.3 1 UNL1 -0.4587 2 O -0.4229 -0.4848 -1.0664 O.2 1 UNL1 -0.5860 3 O -1.0172 1.0787 1.2956 O.2 1 UNL1 -0.3006 4 O 1.9002 1.0338 2.1161 O.2 1 UNL1 -0.2562 5 O -0.3486 3.3631 -0.5780 O.2 1 UNL1 -0.2539 6 O 2.2982 -2.5945 0.0227 O.2 2 UNL2 -0.3674 7 O 4.4344 -1.6437 -0.0098 O.2 2 UNL2 -0.3107 8 O -4.8127 -0.9125 -0.9287 O.2 2 UNL2 -0.1177 9 N -3.7352 -1.0839 -0.4849 N.2 2 UNL2 0.2871 10 N -3.5994 -1.0542 0.8559 N.1 2 UNL2 -0.6237 11 C -0.0168 1.3839 0.7231 C.2 1 UNL1 0.2456 12 C 1.3789 0.8814 1.0473 C.2 1 UNL1 0.0578 13 C 0.0715 2.2427 -0.5280 C.2 1 UNL1 0.0515 14 C 2.1052 0.2271 -0.1467 C.3 1 UNL1 0.4092 15 C 0.8158 1.5552 -1.7090 C.3 1 UNL1 0.5010 16 C 3.3606 -2.1009 0.0085 C.1 2 UNL2 0.6731 17 C -0.9289 -1.4958 -1.2803 C.2 1 UNL1 0.5941 18 C -3.3415 -1.0375 2.0287 C.1 2 UNL2 0.4555 @BOND 1 15 1 1 2 15 13 1 3 1 14 1 4 17 2 2 5 8 9 2 6 5 13 2 7 13 11 1 8 9 10 1 9 14 12 1 10 7 16 2 11 16 6 2 12 11 12 1 13 11 3 2 14 10 18 3 15 12 4 2