@MOLECULE (1r)-1,5-anhydro-1-[(z)-2-diazonio-1-oxidovinyl]-d-galactitol 28 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.3055 -0.9138 0.1993 O.3 1 UNL1 -0.3744 2 O -2.0854 2.6662 -0.5522 O.3 1 UNL1 -0.5450 3 O -2.1110 0.1923 -1.6795 O.3 1 UNL1 -0.5420 4 O 0.4168 2.5231 0.9539 O.3 1 UNL1 -0.5318 5 O -1.9072 -3.3702 0.5954 O.3 1 UNL1 -0.5167 6 O 2.5719 -0.0822 1.5971 O.2 1 UNL1 -0.4450 7 N 3.5266 -0.4740 -0.9704 N.3 1 UNL1 0.3908 8 N 4.6262 -0.6017 -1.1958 N.3 1 UNL1 -0.1133 9 C -1.6813 1.5712 0.2296 C.3 1 UNL1 0.0430 10 C -2.3289 0.2701 -0.2885 C.3 1 UNL1 0.0368 11 C -0.1386 1.4851 0.1812 C.3 1 UNL1 0.0622 12 C -1.7100 -0.9495 0.4202 C.3 1 UNL1 -0.0017 13 C 0.3259 0.1774 0.8517 C.3 1 UNL1 -0.0268 14 C -2.1585 -2.2644 -0.2360 C.3 1 UNL1 -0.0159 15 C 1.8203 -0.0769 0.6527 C.2 1 UNL1 0.5080 16 C 2.2626 -0.3271 -0.7096 C.3 1 UNL1 -0.5221 17 H -2.0340 1.8382 1.2519 H 1 UNL1 0.1623 18 H -3.4373 0.3072 -0.2069 H 1 UNL1 0.1608 19 H 0.2398 1.5822 -0.8595 H 1 UNL1 0.1367 20 H -1.9206 -0.9457 1.5108 H 1 UNL1 0.1405 21 H 0.0919 0.1777 1.9427 H 1 UNL1 0.1713 22 H -1.5560 -2.4960 -1.1393 H 1 UNL1 0.1665 23 H -3.2296 -2.2399 -0.5054 H 1 UNL1 0.1291 24 H -2.1681 2.3996 -1.4989 H 1 UNL1 0.3377 25 H -1.1905 -0.1093 -1.8597 H 1 UNL1 0.3289 26 H 0.0126 3.3824 0.6885 H 1 UNL1 0.3351 27 H -2.3322 -3.2651 1.4697 H 1 UNL1 0.3060 28 H 1.5221 -0.4395 -1.4972 H 1 UNL1 0.2189 @BOND 1 25 3 1 2 3 10 1 3 24 2 1 4 28 16 1 5 8 7 1 6 22 14 1 7 7 16 1 8 19 11 1 9 16 15 1 10 2 9 1 11 23 14 1 12 10 18 1 13 10 9 1 14 10 12 1 15 14 12 1 16 14 5 1 17 11 9 1 18 11 13 1 19 11 4 1 20 1 12 1 21 1 13 1 22 9 17 1 23 12 20 1 24 5 27 1 25 15 13 1 26 15 6 2 27 26 4 1 28 13 21 1