@MOLECULE (3r,4s,5r)-8-methyl-1,7-dioxaspiro[4.4]nonane-3,4,8-triol 27 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6007 1.3907 -0.2082 O.3 1 UNL1111111111 -0.4218 2 O 1.7780 -0.5806 -1.0891 O.3 1 UNL1111111111 -0.4432 3 O -1.5394 -1.9276 0.2348 O.3 1 UNL1111111111 -0.5351 4 O 2.8250 1.2445 -0.1962 O.3 1 UNL1111111111 -0.5841 5 O -3.2907 -0.1815 -0.6430 O.3 1 UNL1111111111 -0.5370 6 C -0.1757 0.0708 0.1368 C.3 1 UNL1111111111 0.1819 7 C -1.3873 -0.6471 0.7797 C.3 1 UNL1111111111 0.0455 8 C 1.0458 0.1932 1.0503 C.3 1 UNL1111111111 -0.4202 9 C 0.3629 -0.5535 -1.1625 C.3 1 UNL1111111111 -0.0691 10 C 2.2579 -0.0004 0.1126 C.3 1 UNL1111111111 0.5250 11 C -2.5925 0.2878 0.4837 C.3 1 UNL1111111111 0.0556 12 C -1.9309 1.6423 0.2221 C.3 1 UNL1111111111 -0.0997 13 C 3.3910 -0.8726 0.6205 C.3 1 UNL1111111111 -0.4791 14 H -1.2448 -0.8153 1.8687 H 1 UNL1111111111 0.1508 15 H 1.0893 1.1837 1.5404 H 1 UNL1111111111 0.1852 16 H 1.0436 -0.5578 1.8551 H 1 UNL1111111111 0.1673 17 H 0.0597 -1.6085 -1.2985 H 1 UNL1111111111 0.1642 18 H 0.1053 0.0429 -2.0541 H 1 UNL1111111111 0.1446 19 H -3.3664 0.2900 1.2750 H 1 UNL1111111111 0.1600 20 H -2.3981 2.2079 -0.6031 H 1 UNL1111111111 0.1581 21 H -1.8759 2.2789 1.1211 H 1 UNL1111111111 0.1416 22 H 4.1315 -1.0336 -0.1788 H 1 UNL1111111111 0.1788 23 H 3.0263 -1.8562 0.9358 H 1 UNL1111111111 0.1613 24 H 3.9136 -0.3924 1.4560 H 1 UNL1111111111 0.1660 25 H -2.3976 -2.0010 -0.2516 H 1 UNL1111111111 0.3391 26 H 2.2238 1.7786 -0.7536 H 1 UNL1111111111 0.3369 27 H -2.7429 -0.0866 -1.4570 H 1 UNL1111111111 0.3272 @BOND 1 1 6 1 2 1 12 1 3 2 9 1 4 2 10 1 5 3 7 1 6 3 25 1 7 4 10 1 8 4 26 1 9 5 11 1 10 5 27 1 11 6 7 1 12 6 8 1 13 6 9 1 14 7 11 1 15 7 14 1 16 8 10 1 17 8 15 1 18 8 16 1 19 9 17 1 20 9 18 1 21 10 13 1 22 11 12 1 23 11 19 1 24 12 20 1 25 12 21 1 26 13 22 1 27 13 23 1 28 13 24 1