@MOLECULE 1,5-anhydro-d-fructose 21 21 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.7402 1.2859 0.2751 O.3 1 UNL11111111 -0.3774 2 O -0.4164 -2.2355 -0.3343 O.3 1 UNL11111111 -0.5470 3 O 2.3030 -1.3919 0.2976 O.3 1 UNL11111111 -0.5428 4 O -3.4607 0.4781 -0.1383 O.3 1 UNL11111111 -0.5342 5 O 2.7084 1.2888 0.1506 O.2 1 UNL11111111 -0.4183 6 C -0.0203 -1.0067 0.2278 C.3 1 UNL11111111 0.0862 7 C -1.1008 -0.0003 -0.2140 C.3 1 UNL11111111 0.0148 8 C 1.3461 -0.5866 -0.3494 C.3 1 UNL11111111 -0.0198 9 C 1.6063 0.8942 -0.1297 C.2 1 UNL11111111 0.3793 10 C 0.4260 1.8213 -0.3069 C.3 1 UNL11111111 -0.1471 11 C -2.4450 -0.2858 0.4694 C.3 1 UNL11111111 -0.0125 12 H 0.0334 -1.1146 1.3342 H 1 UNL11111111 0.1504 13 H -1.2169 0.0241 -1.3191 H 1 UNL11111111 0.1550 14 H 1.4122 -0.8369 -1.4384 H 1 UNL11111111 0.1707 15 H 0.5592 2.7730 0.2520 H 1 UNL11111111 0.1841 16 H 0.2587 2.0580 -1.3753 H 1 UNL11111111 0.1549 17 H -2.4161 -0.0690 1.5521 H 1 UNL11111111 0.1311 18 H -2.7627 -1.3349 0.2960 H 1 UNL11111111 0.1687 19 H 0.2741 -2.9172 -0.1676 H 1 UNL11111111 0.3394 20 H 3.0980 -0.8603 0.5455 H 1 UNL11111111 0.3453 21 H -3.2596 1.4342 -0.0499 H 1 UNL11111111 0.3192 @BOND 1 14 8 1 2 16 10 1 3 13 7 1 4 8 9 1 5 8 6 1 6 8 3 1 7 2 19 1 8 2 6 1 9 10 9 1 10 10 15 1 11 10 1 1 12 7 6 1 13 7 1 1 14 7 11 1 15 4 21 1 16 4 11 1 17 9 5 2 18 6 12 1 19 18 11 1 20 3 20 1 21 11 17 1