@MOLECULE 3,6-anhydro-d-glucose 21 21 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5807 -1.6486 -0.4844 O.3 1 UNL1111111111 -0.3543 2 O -0.3457 1.7481 0.0028 O.3 1 UNL1111111111 -0.5733 3 O -2.5857 0.8522 0.8403 O.3 1 UNL1111111111 -0.5361 4 O 1.9239 -1.4560 0.7170 O.3 1 UNL1111111111 -0.5059 5 O 3.0029 0.7705 -0.4424 O.2 1 UNL1111111111 -0.4390 6 C 0.1934 -0.4748 -0.6559 C.3 1 UNL1111111111 0.0264 7 C -0.8025 0.6948 -0.8119 C.3 1 UNL1111111111 0.0518 8 C -2.1589 0.1373 -0.2863 C.3 1 UNL1111111111 0.0634 9 C -1.8638 -1.3332 0.0409 C.3 1 UNL1111111111 -0.1112 10 C 1.1426 -0.3031 0.5480 C.3 1 UNL1111111111 0.0102 11 C 2.0626 0.8939 0.3018 C.2 1 UNL1111111111 0.3206 12 H 0.7709 -0.6855 -1.5839 H 1 UNL1111111111 0.1622 13 H -0.8681 1.0666 -1.8529 H 1 UNL1111111111 0.1396 14 H -2.9973 0.2792 -0.9973 H 1 UNL1111111111 0.1555 15 H -1.8535 -1.5305 1.1267 H 1 UNL1111111111 0.1446 16 H -2.5404 -2.0494 -0.4530 H 1 UNL1111111111 0.1524 17 H 0.5876 -0.2337 1.5075 H 1 UNL1111111111 0.1620 18 H -1.0534 2.4240 0.1223 H 1 UNL1111111111 0.3461 19 H -1.9222 0.8007 1.5662 H 1 UNL1111111111 0.3262 20 H 1.8427 1.8340 0.8156 H 1 UNL1111111111 0.1329 21 H 2.5777 -1.5424 -0.0176 H 1 UNL1111111111 0.3260 @BOND 1 1 6 1 2 1 9 1 3 2 7 1 4 2 18 1 5 3 8 1 6 3 19 1 7 4 10 1 8 4 21 1 9 5 11 2 10 6 7 1 11 6 10 1 12 6 12 1 13 7 8 1 14 7 13 1 15 8 9 1 16 8 14 1 17 9 15 1 18 9 16 1 19 10 11 1 20 10 17 1 21 11 20 1