@MOLECULE 4-[(E)-3-methylsulfanylallyl]-1,3-benzodioxole 26 27 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.5681 -0.2107 0.5996 S.3 1 UNL11111111 0.0546 2 O 0.6706 1.2514 -1.0407 O.3 1 UNL11111111 -0.3526 3 O 2.4688 1.9666 0.3062 O.3 1 UNL11111111 -0.3413 4 C 0.9096 -1.1549 -0.5337 C.ar 1 UNL11111111 -0.0080 5 C 1.2618 0.1725 -0.4247 C.ar 1 UNL11111111 0.0898 6 C 2.3360 0.6025 0.3846 C.ar 1 UNL11111111 0.1462 7 C -0.2378 -1.5999 -1.3796 C.3 1 UNL11111111 -0.2772 8 C 1.6883 -2.0588 0.2173 C.ar 1 UNL11111111 -0.1790 9 C 3.0980 -0.2740 1.1195 C.ar 1 UNL11111111 -0.2040 10 C 1.4235 2.4002 -0.5927 C.3 1 UNL11111111 0.1607 11 C 2.7430 -1.6318 1.0153 C.ar 1 UNL11111111 -0.1320 12 C -1.5049 -1.5061 -0.5786 C.2 1 UNL11111111 -0.1328 13 C -2.1012 -0.3310 -0.3615 C.2 1 UNL11111111 -0.2500 14 C -3.8915 1.5825 0.6075 C.3 1 UNL11111111 -0.5017 15 H -0.3079 -0.9708 -2.2968 H 1 UNL11111111 0.1681 16 H -0.0817 -2.6340 -1.7528 H 1 UNL11111111 0.1581 17 H 1.4464 -3.1194 0.1680 H 1 UNL11111111 0.1609 18 H 3.9216 0.0543 1.7432 H 1 UNL11111111 0.1744 19 H 0.7413 3.0475 -0.0248 H 1 UNL11111111 0.1397 20 H 1.9036 2.8502 -1.4728 H 1 UNL11111111 0.1425 21 H 3.3177 -2.3646 1.5814 H 1 UNL11111111 0.1570 22 H -1.8713 -2.4525 -0.1857 H 1 UNL11111111 0.1556 23 H -1.6981 0.6013 -0.7590 H 1 UNL11111111 0.1735 24 H -4.8113 1.7597 1.1787 H 1 UNL11111111 0.1714 25 H -4.0382 1.9785 -0.4020 H 1 UNL11111111 0.1620 26 H -3.0818 2.1413 1.0875 H 1 UNL11111111 0.1639 @BOND 1 1 13 1 2 1 14 1 3 2 5 1 4 2 10 1 5 3 6 1 6 3 10 1 7 4 5 ar 8 4 7 1 9 4 8 ar 10 5 6 ar 11 6 9 ar 12 7 12 1 13 7 15 1 14 7 16 1 15 8 11 ar 16 8 17 1 17 9 11 ar 18 9 18 1 19 10 19 1 20 10 20 1 21 11 21 1 22 12 13 2 23 12 22 1 24 13 23 1 25 14 24 1 26 14 25 1 27 14 26 1