@MOLECULE diglycolic acid 15 14 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.0007 0.0475 0.0010 O.3 1 UNL11111111 -0.2958 2 O 3.4761 0.5788 -0.0248 O.3 1 UNL11111111 -0.5863 3 O -3.4746 0.5810 0.0189 O.3 1 UNL11111111 -0.5866 4 O 2.3198 -1.3301 0.0367 O.2 1 UNL11111111 -0.4320 5 O -2.3224 -1.3307 -0.0360 O.2 1 UNL11111111 -0.4319 6 C 1.1725 0.8527 -0.0088 C.3 1 UNL11111111 -0.1361 7 C -1.1719 0.8512 0.0139 C.3 1 UNL11111111 -0.1362 8 C 2.3128 -0.1355 0.0049 C.2 1 UNL11111111 0.6189 9 C -2.3128 -0.1362 -0.0050 C.2 1 UNL11111111 0.6191 10 H 1.2095 1.4803 -0.9223 H 1 UNL11111111 0.1610 11 H 1.2116 1.5052 0.8868 H 1 UNL11111111 0.1605 12 H -1.2097 1.4747 0.9302 H 1 UNL11111111 0.1610 13 H -1.2108 1.5079 -0.8787 H 1 UNL11111111 0.1606 14 H 4.2884 0.0167 -0.0186 H 1 UNL11111111 0.3619 15 H -4.2882 0.0210 0.0093 H 1 UNL11111111 0.3619 @BOND 1 10 6 1 2 13 7 1 3 5 9 2 4 2 14 1 5 2 8 1 6 6 1 1 7 6 8 1 8 6 11 1 9 9 7 1 10 9 3 1 11 1 7 1 12 8 4 2 13 15 3 1 14 7 12 1