@MOLECULE (1r,2s,8s,8as)octahydro-1,2,8-indolizinetriol 4-oxide 13 14 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.1314 -1.9914 -0.0016 O.2 1 UNL1 -0.2642 2 N 0.0194 -1.0299 0.0022 N.am 1 UNL1 -0.2070 3 C -0.7866 -2.0772 0.0035 C.3 1 UNL1 0.2601 4 C -2.1236 -1.8441 0.0015 C.2 1 UNL1 -0.1675 5 C -2.6287 -0.6919 -0.0020 C.2 1 UNL1 0.0317 6 C -1.9548 0.6143 -0.0022 C.2 1 UNL1 0.4873 7 O -2.4631 1.6977 -0.0043 O.2 1 UNL1 -0.3429 8 C -0.5273 0.2809 0.0008 C.3 1 UNL1 -0.3854 9 C 0.5110 1.2838 0.0022 C.2 1 UNL1 0.4039 10 O 0.4610 2.4761 0.0062 O.2 1 UNL1 -0.2888 11 C 1.8553 0.5180 -0.0016 C.2 1 UNL1 0.2596 12 O 2.9736 0.9036 -0.0037 O.2 1 UNL1 -0.2158 13 C 1.4989 -0.9936 -0.0001 C.2 1 UNL1 0.4291 @BOND 1 7 6 2 2 12 11 2 3 6 5 1 4 6 8 1 5 5 4 2 6 1 13 2 7 11 13 1 8 11 9 1 9 13 2 am 10 8 9 1 11 8 2 1 12 4 3 1 13 9 10 2 14 2 3 1