@MOLECULE l-idonate 13 7 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.4235 1.4344 1.8197 O.2 1 UNL1 -0.4308 2 O -1.9172 2.8832 0.3559 O.2 2 UNL2 -0.4350 3 O 2.6985 0.1463 -1.5603 O.2 3 UNL3 -0.4377 4 O -3.5860 -2.1642 1.5408 O.2 4 UNL4 -0.4476 5 O 3.5213 -1.2179 0.6336 O.2 5 UNL5 -0.4791 6 O -0.4638 -0.0048 -2.0838 O.2 6 UNL6 -0.3404 7 O -2.3939 -1.0568 -1.2909 O.2 6 UNL6 -0.3461 8 C 0.4199 1.2602 1.3105 C.2 1 UNL1 0.4324 9 C -1.7849 1.8569 -0.1201 C.2 2 UNL2 0.4326 10 C 1.8205 0.2236 -0.8382 C.2 3 UNL3 0.4378 11 C -2.7094 -1.4896 1.2673 C.2 4 UNL4 0.4459 12 C 4.6370 -1.3554 0.8323 C.2 5 UNL5 0.4802 13 C -1.4272 -0.5225 -1.6726 C.1 6 UNL6 0.6879 @BOND 1 6 13 2 2 13 7 2 3 3 10 2 4 9 2 2 5 5 12 2 6 11 4 2 7 8 1 2