@MOLECULE 2-[(3r,6r)-6-methyl-6-(4-methylphenyl)-1,2-dioxan-3-yl]-2-propanol 40 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6625 -0.7137 0.6699 O.3 1 UNL1111111111 -0.1326 2 O -0.2747 -0.8527 0.4069 O.3 1 UNL1111111111 -0.1826 3 O -4.1261 0.8517 0.5054 O.3 1 UNL1111111111 -0.5710 4 C -2.2712 -0.1874 -0.5084 C.3 1 UNL1111111111 -0.0121 5 C 0.3356 0.4433 0.4166 C.3 1 UNL1111111111 0.2040 6 C -1.7886 1.2536 -0.6926 C.3 1 UNL1111111111 -0.2939 7 C -0.2593 1.2639 -0.7474 C.3 1 UNL1111111111 -0.3137 8 C -3.7946 -0.3000 -0.2498 C.3 1 UNL1111111111 0.3206 9 C 1.8017 0.1625 0.1743 C.ar 1 UNL1111111111 -0.0604 10 C 0.1258 1.0983 1.7797 C.3 1 UNL1111111111 -0.4777 11 C -4.1317 -1.5559 0.5541 C.3 1 UNL1111111111 -0.5089 12 C -4.5654 -0.2521 -1.5735 C.3 1 UNL1111111111 -0.5067 13 C 2.6848 1.2353 0.0318 C.ar 1 UNL1111111111 -0.1472 14 C 2.2844 -1.1434 0.0982 C.ar 1 UNL1111111111 -0.1326 15 C 4.0383 1.0035 -0.1898 C.ar 1 UNL1111111111 -0.1844 16 C 3.6397 -1.3758 -0.1246 C.ar 1 UNL1111111111 -0.1843 17 C 4.5231 -0.3045 -0.2696 C.ar 1 UNL1111111111 0.0439 18 C 5.9716 -0.5541 -0.5217 C.3 1 UNL1111111111 -0.4563 19 H -1.9796 -0.8237 -1.3724 H 1 UNL1111111111 0.1397 20 H -2.1477 1.8822 0.1498 H 1 UNL1111111111 0.1725 21 H -2.2212 1.7009 -1.6032 H 1 UNL1111111111 0.1414 22 H 0.0889 0.8364 -1.7078 H 1 UNL1111111111 0.1501 23 H 0.1191 2.3005 -0.7171 H 1 UNL1111111111 0.1463 24 H 0.5724 2.0946 1.8311 H 1 UNL1111111111 0.1485 25 H -0.9465 1.1932 2.0041 H 1 UNL1111111111 0.1716 26 H 0.5650 0.4854 2.5769 H 1 UNL1111111111 0.1600 27 H -5.2102 -1.7166 0.6348 H 1 UNL1111111111 0.1481 28 H -3.6902 -2.4518 0.1017 H 1 UNL1111111111 0.1654 29 H -3.7283 -1.4834 1.5754 H 1 UNL1111111111 0.1736 30 H -5.6473 -0.2716 -1.4054 H 1 UNL1111111111 0.1525 31 H -4.3150 -1.0994 -2.2193 H 1 UNL1111111111 0.1564 32 H -4.3422 0.6718 -2.1217 H 1 UNL1111111111 0.1617 33 H 2.3174 2.2578 0.0972 H 1 UNL1111111111 0.1507 34 H 1.6106 -1.9936 0.2149 H 1 UNL1111111111 0.1651 35 H -5.0384 0.8007 0.8434 H 1 UNL1111111111 0.3173 36 H 4.7198 1.8434 -0.3004 H 1 UNL1111111111 0.1506 37 H 4.0084 -2.3973 -0.1842 H 1 UNL1111111111 0.1527 38 H 6.1721 -0.6256 -1.6017 H 1 UNL1111111111 0.1604 39 H 6.6086 0.2487 -0.1264 H 1 UNL1111111111 0.1549 40 H 6.3186 -1.4912 -0.0652 H 1 UNL1111111111 0.1563 @BOND 1 1 2 1 2 1 4 1 3 2 5 1 4 3 8 1 5 3 35 1 6 4 6 1 7 4 8 1 8 4 19 1 9 5 7 1 10 5 9 1 11 5 10 1 12 6 7 1 13 6 20 1 14 6 21 1 15 7 22 1 16 7 23 1 17 8 11 1 18 8 12 1 19 9 13 ar 20 9 14 ar 21 10 24 1 22 10 25 1 23 10 26 1 24 11 27 1 25 11 28 1 26 11 29 1 27 12 30 1 28 12 31 1 29 12 32 1 30 13 15 ar 31 13 33 1 32 14 16 ar 33 14 34 1 34 15 17 ar 35 15 36 1 36 16 17 ar 37 16 37 1 38 17 18 1 39 18 38 1 40 18 39 1 41 18 40 1