@MOLECULE 2,5-anhydromannitol 23 23 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1149 0.8479 0.5229 O.3 1 UNL1111111111 -0.4335 2 O -0.1698 -1.5969 -1.7843 O.3 1 UNL1111111111 -0.5428 3 O 0.9227 -2.0103 1.4484 O.3 1 UNL1111111111 -0.5310 4 O -2.9992 1.4135 0.1181 O.3 1 UNL1111111111 -0.5299 5 O 2.2216 2.2557 -0.2299 O.3 1 UNL1111111111 -0.5307 6 C -0.4526 -1.3196 -0.4316 C.3 1 UNL1111111111 0.0472 7 C 0.9362 -1.2666 0.2626 C.3 1 UNL1111111111 0.0922 8 C -1.0194 0.1087 -0.2988 C.3 1 UNL1111111111 -0.0046 9 C 1.1671 0.2294 0.5315 C.3 1 UNL1111111111 0.0020 10 C -2.3688 0.1890 0.4205 C.3 1 UNL1111111111 -0.0332 11 C 2.0324 0.8940 -0.5458 C.3 1 UNL1111111111 -0.0408 12 H -1.0974 -2.1127 -0.0093 H 1 UNL1111111111 0.1408 13 H 1.7276 -1.7617 -0.3421 H 1 UNL1111111111 0.1795 14 H -1.0565 0.6244 -1.2856 H 1 UNL1111111111 0.1631 15 H 1.5547 0.4404 1.5523 H 1 UNL1111111111 0.1679 16 H -2.2573 0.0987 1.5170 H 1 UNL1111111111 0.1342 17 H -3.0898 -0.5640 0.0521 H 1 UNL1111111111 0.1465 18 H 1.5744 0.8179 -1.5493 H 1 UNL1111111111 0.1369 19 H 3.0598 0.4861 -0.5709 H 1 UNL1111111111 0.1505 20 H -0.9872 -1.8108 -2.2781 H 1 UNL1111111111 0.3234 21 H 0.3280 -1.6098 2.1178 H 1 UNL1111111111 0.3185 22 H -2.4114 2.1622 0.3597 H 1 UNL1111111111 0.3222 23 H 1.3547 2.6698 -0.0239 H 1 UNL1111111111 0.3215 @BOND 1 1 8 1 2 1 9 1 3 2 6 1 4 2 20 1 5 3 7 1 6 3 21 1 7 4 10 1 8 4 22 1 9 5 11 1 10 5 23 1 11 6 7 1 12 6 8 1 13 6 12 1 14 7 9 1 15 7 13 1 16 8 10 1 17 8 14 1 18 9 11 1 19 9 15 1 20 10 16 1 21 10 17 1 22 11 18 1 23 11 19 1