@MOLECULE beta-d-arabino-hexopyranos-2-ulose 22 22 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7116 2.4622 -0.3512 O.3 1 UNL1111111111 -0.5414 2 C 0.1965 1.2791 0.2113 C.3 1 UNL1111111111 0.0736 3 C -1.2078 1.0025 -0.3767 C.3 1 UNL1111111111 -0.0225 4 O -2.0869 1.9213 0.2209 O.3 1 UNL1111111111 -0.5373 5 C -1.5936 -0.4387 -0.1135 C.2 1 UNL1111111111 0.3097 6 O -2.6270 -0.7379 0.4183 O.2 1 UNL1111111111 -0.3818 7 C -0.5221 -1.4656 -0.5124 C.3 1 UNL1111111111 0.2627 8 O -0.8319 -2.7437 -0.0979 O.3 1 UNL1111111111 -0.4811 9 O 0.6651 -1.0861 0.1747 O.3 1 UNL1111111111 -0.4629 10 C 1.1834 0.1751 -0.2226 C.3 1 UNL1111111111 0.0401 11 C 2.5153 0.2739 0.5355 C.3 1 UNL1111111111 -0.0115 12 O 3.4460 -0.6216 -0.0265 O.3 1 UNL1111111111 -0.5326 13 H 0.0785 3.2036 -0.2031 H 1 UNL1111111111 0.3404 14 H 0.1459 1.3954 1.3163 H 1 UNL1111111111 0.1477 15 H -1.2395 1.2449 -1.4681 H 1 UNL1111111111 0.1773 16 H -2.7915 1.4572 0.7348 H 1 UNL1111111111 0.3439 17 H -0.3507 -1.5528 -1.6070 H 1 UNL1111111111 0.1597 18 H -0.9957 -2.7856 0.8768 H 1 UNL1111111111 0.3381 19 H 1.3563 0.1884 -1.3220 H 1 UNL1111111111 0.1560 20 H 2.3986 0.0546 1.6119 H 1 UNL1111111111 0.1312 21 H 2.9805 1.2708 0.3941 H 1 UNL1111111111 0.1659 22 H 3.0811 -1.5342 -0.0040 H 1 UNL1111111111 0.3246 @BOND 1 1 2 1 2 1 13 1 3 2 3 1 4 2 10 1 5 2 14 1 6 3 4 1 7 3 5 1 8 3 15 1 9 4 16 1 10 5 6 2 11 5 7 1 12 7 8 1 13 7 9 1 14 7 17 1 15 8 18 1 16 9 10 1 17 10 11 1 18 10 19 1 19 11 12 1 20 11 20 1 21 11 21 1 22 12 22 1