@MOLECULE 1,5-anhydro-1-ethylidene-d-glucitol 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7480 0.7139 0.6699 O.2 1 UNL1111111111 -0.3548 2 O -0.3329 -2.6136 -0.6418 O.3 1 UNL1111111111 -0.5462 3 O 2.3252 -1.8850 0.2049 O.3 1 UNL1111111111 -0.5685 4 O 2.7614 0.9275 -0.2582 O.3 1 UNL1111111111 -0.5527 5 O -3.4019 -0.2934 -0.3135 O.3 1 UNL1111111111 -0.5426 6 C 0.0168 -1.5183 0.1755 C.3 1 UNL1111111111 0.0681 7 C 1.3784 -0.9461 -0.2630 C.3 1 UNL1111111111 0.0786 8 C -1.0862 -0.4670 -0.0634 C.3 1 UNL1111111111 0.0591 9 C 1.6218 0.4208 0.4098 C.3 1 UNL1111111111 0.0552 10 C 0.4181 1.3013 0.2333 C.2 1 UNL1111111111 0.0813 11 C -2.4307 -0.9042 0.5234 C.3 1 UNL1111111111 -0.0211 12 C 0.3914 2.5646 -0.2035 C.2 1 UNL1111111111 -0.1682 13 C -0.8709 3.3314 -0.3587 C.3 1 UNL1111111111 -0.4317 14 H 0.0530 -1.8645 1.2321 H 1 UNL1111111111 0.1468 15 H 1.4694 -0.8752 -1.3706 H 1 UNL1111111111 0.1564 16 H -1.1932 -0.2165 -1.1449 H 1 UNL1111111111 0.1707 17 H 1.8726 0.2951 1.4906 H 1 UNL1111111111 0.1513 18 H -2.5656 -0.5354 1.5573 H 1 UNL1111111111 0.1341 19 H -2.5465 -2.0039 0.4793 H 1 UNL1111111111 0.1408 20 H 0.4206 -3.2484 -0.6766 H 1 UNL1111111111 0.3364 21 H 3.2340 -1.5453 0.0483 H 1 UNL1111111111 0.3391 22 H 1.3028 3.0966 -0.4678 H 1 UNL1111111111 0.1512 23 H 3.0069 1.8081 0.0910 H 1 UNL1111111111 0.3235 24 H -4.2965 -0.6006 -0.0732 H 1 UNL1111111111 0.3109 25 H -0.9651 4.1063 0.4160 H 1 UNL1111111111 0.1544 26 H -1.7644 2.6885 -0.2734 H 1 UNL1111111111 0.1754 27 H -0.9239 3.8311 -1.3361 H 1 UNL1111111111 0.1526 @BOND 1 1 8 1 2 1 10 1 3 2 6 1 4 2 20 1 5 3 7 1 6 3 21 1 7 4 9 1 8 4 23 1 9 5 11 1 10 5 24 1 11 6 7 1 12 6 8 1 13 6 14 1 14 7 9 1 15 7 15 1 16 8 11 1 17 8 16 1 18 9 10 1 19 9 17 1 20 10 12 2 21 11 18 1 22 11 19 1 23 12 13 1 24 12 22 1 25 13 25 1 26 13 26 1 27 13 27 1