@MOLECULE (2s,5r,6r)-6-(hydroxymethyl)-2-propyltetrahydro-2h-pyran-2,3,3,4,4,5-hexayl hexaacetate 65 65 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.5256 0.6638 0.2042 C.3 1 UNL1 0.4251 2 C 1.3030 1.3033 -0.2770 C.3 1 UNL1 0.0069 3 C 0.2345 2.2961 0.2086 C.3 1 UNL1 0.0460 4 C 0.3821 3.6911 -0.4261 C.3 1 UNL1 -0.0043 5 C -1.7748 0.7200 1.7096 C.3 1 UNL1 -0.3562 6 C -2.4905 -0.5216 2.2459 C.3 1 UNL1 -0.2348 7 C -4.7728 0.9406 -1.4395 C.3 1 UNL1 -0.5129 8 C -1.7879 -3.7887 0.5077 C.3 1 UNL1 -0.5086 9 C 3.4071 -2.4767 -1.2047 C.3 1 UNL1 -0.5111 10 C 4.7753 1.9410 0.6234 C.3 1 UNL1 -0.5143 11 C 1.0691 -1.1630 3.6208 C.3 1 UNL1 -0.5062 12 C -0.2138 -0.8826 -3.9259 C.3 1 UNL1 -0.5038 13 C -3.0776 -0.2443 3.6299 C.3 1 UNL1 -0.4392 14 H -1.4253 4.1808 0.1817 H 1 UNL1 0.3414 15 O -3.5272 2.5359 -0.1086 O.2 1 UNL1 -0.5032 16 O -2.4638 -2.2794 -1.2724 O.2 1 UNL1 -0.4809 17 O 3.5224 -1.0175 0.7348 O.2 1 UNL1 -0.5198 18 O 3.6025 1.9730 -1.5006 O.2 1 UNL1 -0.5176 19 O 1.3253 -2.4869 1.6081 O.2 1 UNL1 -0.4794 20 O 0.1265 -2.4875 -2.1406 O.2 1 UNL1 -0.4887 21 O -0.5183 4.5735 0.2080 O.3 1 UNL1 -0.5460 22 C -3.6421 1.4528 -0.6132 C.2 1 UNL1 0.6541 23 C -1.7919 -2.5507 -0.3204 C.2 1 UNL1 0.6778 24 C 2.9448 -1.4636 -0.2179 C.2 1 UNL1 0.6897 25 C 3.6189 1.8626 -0.3045 C.2 1 UNL1 0.6393 26 C 1.1575 -1.4381 2.1593 C.2 1 UNL1 0.6746 27 C -0.1866 -1.3984 -2.5277 C.2 1 UNL1 0.6730 28 O -2.7330 0.4437 -0.4848 O.3 1 UNL1 -0.4201 29 O -0.8725 -1.6955 0.2337 O.3 1 UNL1 -0.4725 30 O 1.7043 -1.0455 -0.6109 O.3 1 UNL1 -0.4706 31 O 2.4868 1.6264 0.4235 O.3 1 UNL1 -0.3931 32 O 1.0216 -0.2399 1.5067 O.3 1 UNL1 -0.4687 33 O -0.6093 -0.3803 -1.7137 O.3 1 UNL1 -0.4473 34 O -1.0273 1.8884 -0.2858 O.3 1 UNL1 -0.4341 35 C -0.5601 -0.4670 -0.3240 C.3 1 UNL1 0.3813 36 C 0.9258 -0.1514 0.1210 C.3 1 UNL1 0.4099 37 H 1.4368 1.3496 -1.3867 H 1 UNL1 0.1890 38 H 0.2197 2.3658 1.3196 H 1 UNL1 0.1596 39 H 1.3797 4.1259 -0.2380 H 1 UNL1 0.1489 40 H 0.1686 3.6707 -1.5113 H 1 UNL1 0.1368 41 H -4.6598 1.2622 -2.4875 H 1 UNL1 0.1880 42 H -4.8174 -0.1624 -1.4504 H 1 UNL1 0.1952 43 H -5.7338 1.3263 -1.0698 H 1 UNL1 0.1821 44 H -2.2041 -4.6356 -0.0589 H 1 UNL1 0.1847 45 H -0.7584 -4.0584 0.8150 H 1 UNL1 0.2069 46 H -2.3796 -3.6608 1.4251 H 1 UNL1 0.1792 47 H 4.1862 -3.1193 -0.7669 H 1 UNL1 0.1844 48 H 2.5703 -3.1265 -1.5339 H 1 UNL1 0.2119 49 H 3.8162 -1.9989 -2.1084 H 1 UNL1 0.1865 50 H 4.5550 2.5455 1.5166 H 1 UNL1 0.1871 51 H 5.0353 0.9279 0.9929 H 1 UNL1 0.2077 52 H 5.6614 2.3600 0.1246 H 1 UNL1 0.1808 53 H 1.1471 -0.0889 3.8566 H 1 UNL1 0.1896 54 H 0.1121 -1.5286 4.0246 H 1 UNL1 0.1844 55 H 1.8817 -1.6803 4.1560 H 1 UNL1 0.1849 56 H 0.6875 -0.2863 -4.1413 H 1 UNL1 0.1884 57 H -0.2572 -1.7145 -4.6440 H 1 UNL1 0.1804 58 H -1.0850 -0.2302 -4.1042 H 1 UNL1 0.1918 59 H -0.8246 0.8692 2.2605 H 1 UNL1 0.1701 60 H -2.3850 1.6304 1.9147 H 1 UNL1 0.1842 61 H -3.2920 -0.8361 1.5493 H 1 UNL1 0.1452 62 H -1.7834 -1.3724 2.3013 H 1 UNL1 0.1426 63 H -2.3375 0.2067 4.3002 H 1 UNL1 0.1422 64 H -3.9284 0.4446 3.5729 H 1 UNL1 0.1453 65 H -3.4365 -1.1653 4.0980 H 1 UNL1 0.1365 @BOND 1 57 12 1 2 56 12 1 3 58 12 1 4 12 27 1 5 27 20 2 6 27 33 1 7 41 7 1 8 49 9 1 9 33 35 1 10 48 9 1 11 40 4 1 12 18 25 2 13 42 7 1 14 7 43 1 15 7 22 1 16 37 2 1 17 16 23 2 18 9 47 1 19 9 24 1 20 22 28 1 21 22 15 2 22 30 24 1 23 30 36 1 24 28 1 1 25 4 39 1 26 4 21 1 27 4 3 1 28 35 36 1 29 35 1 1 30 35 29 1 31 23 29 1 32 23 8 1 33 25 31 1 34 25 10 1 35 34 1 1 36 34 3 1 37 2 36 1 38 2 3 1 39 2 31 1 40 24 17 2 41 44 8 1 42 36 32 1 43 52 10 1 44 14 21 1 45 1 5 1 46 3 38 1 47 8 45 1 48 8 46 1 49 10 51 1 50 10 50 1 51 32 26 1 52 61 6 1 53 19 26 2 54 5 60 1 55 5 6 1 56 5 59 1 57 26 11 1 58 6 62 1 59 6 13 1 60 64 13 1 61 11 53 1 62 11 54 1 63 11 55 1 64 13 65 1 65 13 63 1