@MOLECULE 2-ethyl-5-methyl-5-[(2-methylbenzyl)oxy]-1,3-dioxane 40 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2324 1.0732 0.2664 O.3 1 UNL111111111 -0.3756 2 O 2.1794 -0.1176 -0.9781 O.3 1 UNL111111111 -0.4221 3 O 2.1321 -0.0880 1.3493 O.3 1 UNL111111111 -0.4293 4 C 1.0140 1.7151 0.1255 C.3 1 UNL111111111 0.1936 5 C 1.8308 1.2446 -1.0901 C.3 1 UNL111111111 -0.0965 6 C 1.7387 1.2635 1.4163 C.3 1 UNL111111111 -0.0569 7 C 2.8927 -0.4183 0.2056 C.3 1 UNL111111111 0.3107 8 C 0.8281 3.2329 0.0966 C.3 1 UNL111111111 -0.5060 9 C 3.0137 -1.9439 0.2323 C.3 1 UNL111111111 -0.2907 10 C -1.1129 1.0962 -0.8507 C.3 1 UNL111111111 -0.0510 11 C -2.2678 0.2412 -0.4132 C.ar 1 UNL111111111 -0.0679 12 C 4.1994 -2.4007 -0.6083 C.3 1 UNL111111111 -0.4345 13 C -2.0699 -1.1040 -0.0705 C.ar 1 UNL111111111 0.0803 14 C -3.5418 0.8034 -0.3432 C.ar 1 UNL111111111 -0.1394 15 C -3.1674 -1.8679 0.3391 C.ar 1 UNL111111111 -0.1939 16 C -0.7193 -1.7246 -0.1320 C.3 1 UNL111111111 -0.4716 17 C -4.6294 0.0328 0.0587 C.ar 1 UNL111111111 -0.1796 18 C -4.4390 -1.3045 0.4018 C.ar 1 UNL111111111 -0.1293 19 H 1.2529 1.2706 -2.0314 H 1 UNL111111111 0.1499 20 H 2.7458 1.8499 -1.2182 H 1 UNL111111111 0.1232 21 H 2.6167 1.8931 1.6325 H 1 UNL111111111 0.1206 22 H 1.0446 1.2636 2.2818 H 1 UNL111111111 0.1667 23 H 3.8505 0.1382 0.2194 H 1 UNL111111111 0.1021 24 H 1.7694 3.7685 0.2493 H 1 UNL111111111 0.1506 25 H 0.4035 3.5718 -0.8543 H 1 UNL111111111 0.1541 26 H 0.1316 3.5466 0.8879 H 1 UNL111111111 0.1700 27 H 2.0698 -2.3919 -0.1445 H 1 UNL111111111 0.1680 28 H 3.1097 -2.2861 1.2824 H 1 UNL111111111 0.1618 29 H -0.6177 0.6652 -1.7424 H 1 UNL111111111 0.1309 30 H -1.4045 2.1402 -1.0610 H 1 UNL111111111 0.1199 31 H 5.1512 -2.0364 -0.2063 H 1 UNL111111111 0.1403 32 H 4.2574 -3.4950 -0.6486 H 1 UNL111111111 0.1469 33 H 4.1137 -2.0401 -1.6421 H 1 UNL111111111 0.1531 34 H -3.6882 1.8502 -0.5987 H 1 UNL111111111 0.1449 35 H -3.0253 -2.9109 0.6132 H 1 UNL111111111 0.1525 36 H -0.2660 -1.6240 -1.1297 H 1 UNL111111111 0.1647 37 H -0.0179 -1.2086 0.5574 H 1 UNL111111111 0.2007 38 H -0.7167 -2.7868 0.1335 H 1 UNL111111111 0.1481 39 H -5.6215 0.4745 0.1091 H 1 UNL111111111 0.1466 40 H -5.2844 -1.9085 0.7215 H 1 UNL111111111 0.1442 @BOND 1 1 4 1 2 1 10 1 3 2 5 1 4 2 7 1 5 3 6 1 6 3 7 1 7 4 5 1 8 4 6 1 9 4 8 1 10 5 19 1 11 5 20 1 12 6 21 1 13 6 22 1 14 7 9 1 15 7 23 1 16 8 24 1 17 8 25 1 18 8 26 1 19 9 12 1 20 9 27 1 21 9 28 1 22 10 11 1 23 10 29 1 24 10 30 1 25 11 13 ar 26 11 14 ar 27 12 31 1 28 12 32 1 29 12 33 1 30 13 15 ar 31 13 16 1 32 14 17 ar 33 14 34 1 34 15 18 ar 35 15 35 1 36 16 36 1 37 16 37 1 38 16 38 1 39 17 18 ar 40 17 39 1 41 18 40 1