@MOLECULE 1,5-anhydroglucitol 23 23 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.7760 1.2738 0.3500 O.3 1 UNL11111111 -0.4002 2 O -0.4561 -2.2103 -0.4743 O.3 1 UNL11111111 -0.5495 3 O 2.1773 -1.4998 0.4497 O.3 1 UNL11111111 -0.5674 4 O 2.7794 1.2089 -0.4025 O.3 1 UNL11111111 -0.5608 5 O -3.4842 0.5628 -0.2138 O.3 1 UNL11111111 -0.5372 6 C -0.0983 -1.0357 0.2202 C.3 1 UNL11111111 0.0764 7 C 1.3145 -0.5908 -0.2040 C.3 1 UNL11111111 0.0711 8 C -1.1332 0.0190 -0.2166 C.3 1 UNL11111111 0.0257 9 C 1.5987 0.8406 0.2853 C.3 1 UNL11111111 0.0514 10 C 0.4521 1.7807 -0.1259 C.3 1 UNL11111111 -0.0951 11 C -2.5161 -0.2726 0.3801 C.3 1 UNL11111111 -0.0145 12 H -0.1376 -1.2430 1.3128 H 1 UNL11111111 0.1473 13 H 1.4700 -0.6848 -1.3029 H 1 UNL11111111 0.1533 14 H -1.1871 0.1036 -1.3244 H 1 UNL11111111 0.1550 15 H 1.7859 0.8591 1.3800 H 1 UNL11111111 0.1418 16 H 0.5164 2.7670 0.3673 H 1 UNL11111111 0.1484 17 H 0.4200 1.9244 -1.2209 H 1 UNL11111111 0.1422 18 H -2.5345 -0.1298 1.4752 H 1 UNL11111111 0.1286 19 H -2.8536 -1.2966 0.1195 H 1 UNL11111111 0.1663 20 H 0.2442 -2.8910 -0.3501 H 1 UNL11111111 0.3373 21 H 3.1122 -1.2500 0.2828 H 1 UNL11111111 0.3369 22 H 3.1321 2.0561 -0.0676 H 1 UNL11111111 0.3232 23 H -3.2300 1.5028 -0.0978 H 1 UNL11111111 0.3197 @BOND 1 14 8 1 2 13 7 1 3 17 10 1 4 2 20 1 5 2 6 1 6 4 22 1 7 4 9 1 8 8 6 1 9 8 1 1 10 8 11 1 11 5 23 1 12 5 11 1 13 7 6 1 14 7 9 1 15 7 3 1 16 10 9 1 17 10 1 1 18 10 16 1 19 19 11 1 20 6 12 1 21 21 3 1 22 9 15 1 23 11 18 1