@MOLECULE (2s,3r,4s,5r)-2-(acetoxysulfanyl)-5-isobutyltetrahydro-2h-pyran-3,4-diyl diacetate 47 47 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.5824 -1.1362 1.1726 S.3 1 UNL1111111111 0.3671 2 O -0.4245 -2.2465 0.4073 O.3 1 UNL1111111111 -0.3687 3 O 1.9716 0.9859 0.3994 O.3 1 UNL1111111111 -0.4446 4 O -0.8583 1.2465 -0.2837 O.3 1 UNL1111111111 -0.4512 5 O -3.7616 -1.4966 -0.0022 O.3 1 UNL1111111111 -0.5254 6 O 2.4070 2.0983 -1.5126 O.2 1 UNL1111111111 -0.5094 7 O -1.1993 2.3661 1.6404 O.2 1 UNL1111111111 -0.5072 8 O -4.1903 0.6654 -0.4653 O.2 1 UNL1111111111 -0.4966 9 C 1.7871 -1.3442 0.0141 C.3 1 UNL1111111111 -0.1898 10 C 1.1573 0.0274 -0.2764 C.3 1 UNL1111111111 0.0911 11 C 3.0793 -1.5498 -0.7876 C.3 1 UNL1111111111 -0.2953 12 C -0.2281 0.1685 0.3946 C.3 1 UNL1111111111 0.0467 13 C 0.7648 -2.4324 -0.3409 C.3 1 UNL1111111111 -0.0605 14 C -1.1067 -1.0565 0.0883 C.3 1 UNL1111111111 -0.0429 15 C 4.3231 -1.0591 -0.0188 C.3 1 UNL1111111111 -0.0553 16 C 4.7314 -2.0705 1.0587 C.3 1 UNL1111111111 -0.4548 17 C 5.4831 -0.8387 -0.9974 C.3 1 UNL1111111111 -0.4604 18 C 2.5132 2.0042 -0.3185 C.2 1 UNL1111111111 0.6365 19 C -1.3762 2.2725 0.4559 C.2 1 UNL1111111111 0.6550 20 C 3.2316 2.9189 0.6136 C.3 1 UNL1111111111 -0.5120 21 C -2.1256 3.1792 -0.4514 C.3 1 UNL1111111111 -0.5129 22 C -4.4348 -0.4990 -0.6266 C.2 1 UNL1111111111 0.6478 23 C -5.4724 -1.1001 -1.5137 C.3 1 UNL1111111111 -0.5097 24 H 2.0091 -1.4041 1.1097 H 1 UNL1111111111 0.1724 25 H 1.0989 0.2523 -1.3660 H 1 UNL1111111111 0.1683 26 H 3.2105 -2.6175 -1.0459 H 1 UNL1111111111 0.1424 27 H 3.0108 -1.0207 -1.7589 H 1 UNL1111111111 0.1514 28 H -0.1100 0.3789 1.4838 H 1 UNL1111111111 0.1827 29 H 1.0909 -3.4354 -0.0068 H 1 UNL1111111111 0.1512 30 H 0.5368 -2.4621 -1.4196 H 1 UNL1111111111 0.1259 31 H -1.4150 -1.0608 -0.9833 H 1 UNL1111111111 0.1600 32 H 4.0829 -0.0867 0.4760 H 1 UNL1111111111 0.1384 33 H 5.5883 -1.7080 1.6364 H 1 UNL1111111111 0.1413 34 H 3.9152 -2.2558 1.7656 H 1 UNL1111111111 0.1440 35 H 5.0147 -3.0334 0.6210 H 1 UNL1111111111 0.1428 36 H 5.7359 -1.7578 -1.5359 H 1 UNL1111111111 0.1441 37 H 6.3855 -0.5059 -0.4741 H 1 UNL1111111111 0.1421 38 H 5.2366 -0.0744 -1.7435 H 1 UNL1111111111 0.1480 39 H 2.5374 3.3618 1.3479 H 1 UNL1111111111 0.1925 40 H 3.7164 3.7392 0.0627 H 1 UNL1111111111 0.1843 41 H 4.0042 2.3862 1.1894 H 1 UNL1111111111 0.1849 42 H -3.1549 2.7928 -0.5987 H 1 UNL1111111111 0.2101 43 H -2.2052 4.1902 -0.0278 H 1 UNL1111111111 0.1797 44 H -1.6684 3.2492 -1.4504 H 1 UNL1111111111 0.1862 45 H -5.9721 -0.3253 -2.1151 H 1 UNL1111111111 0.1839 46 H -6.2421 -1.6253 -0.9248 H 1 UNL1111111111 0.1889 47 H -5.0388 -1.8442 -2.2005 H 1 UNL1111111111 0.1873 @BOND 1 1 5 1 2 1 14 1 3 2 13 1 4 2 14 1 5 3 10 1 6 3 18 1 7 4 12 1 8 4 19 1 9 5 22 1 10 6 18 2 11 7 19 2 12 8 22 2 13 9 10 1 14 9 11 1 15 9 13 1 16 9 24 1 17 10 12 1 18 10 25 1 19 11 15 1 20 11 26 1 21 11 27 1 22 12 14 1 23 12 28 1 24 13 29 1 25 13 30 1 26 14 31 1 27 15 16 1 28 15 17 1 29 15 32 1 30 16 33 1 31 16 34 1 32 16 35 1 33 17 36 1 34 17 37 1 35 17 38 1 36 18 20 1 37 19 21 1 38 20 39 1 39 20 40 1 40 20 41 1 41 21 42 1 42 21 43 1 43 21 44 1 44 22 23 1 45 23 45 1 46 23 46 1 47 23 47 1