@MOLECULE 4,4'-(1,1-dioxido-3h-2,1-benzoxathiole-3,3-diyl)bis(3-methylphenol) 45 48 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.0720 -2.1103 -1.2893 S.O2 1 UNL1111111111 2.3372 2 O -0.2010 -0.6598 -1.3512 O.3 1 UNL1111111111 -0.6990 3 O -0.3627 -3.0447 -2.1199 O.2 1 UNL1111111111 -0.8608 4 O -2.4634 -1.8484 -1.5090 O.2 1 UNL1111111111 -0.8416 5 O -3.9288 3.8928 0.4906 O.3 1 UNL1111111111 -0.4741 6 O 5.2205 2.1255 0.2448 O.3 1 UNL1111111111 -0.4714 7 C 0.0377 -0.0779 -0.0747 C.3 1 UNL1111111111 0.3435 8 C -0.0872 -1.2232 0.9297 C.ar 1 UNL1111111111 -0.0235 9 C -1.0313 0.9827 0.1028 C.ar 1 UNL1111111111 -0.1968 10 C 1.4398 0.4869 -0.0286 C.ar 1 UNL1111111111 -0.1796 11 C -0.7052 -2.3614 0.4058 C.ar 1 UNL1111111111 -0.4033 12 C 0.3691 -1.2041 2.2384 C.ar 1 UNL1111111111 -0.1622 13 C -1.2531 1.9252 -0.9214 C.ar 1 UNL1111111111 0.1806 14 C 2.5443 -0.1380 -0.6335 C.ar 1 UNL1111111111 0.1556 15 C -0.9036 -3.4861 1.1853 C.ar 1 UNL1111111111 -0.0481 16 C -1.8072 1.0228 1.2608 C.ar 1 UNL1111111111 -0.0529 17 C 1.6275 1.6704 0.6937 C.ar 1 UNL1111111111 -0.0544 18 C 0.1753 -2.3399 3.0302 C.ar 1 UNL1111111111 -0.0983 19 C -0.4605 -3.4667 2.5127 C.ar 1 UNL1111111111 -0.1755 20 C -2.2386 2.8990 -0.7611 C.ar 1 UNL1111111111 -0.3099 21 C 3.8090 0.4449 -0.5262 C.ar 1 UNL1111111111 -0.3110 22 C -0.4750 1.9139 -2.1898 C.3 1 UNL1111111111 -0.4606 23 C 2.4401 -1.4159 -1.3864 C.3 1 UNL1111111111 -0.4608 24 C -2.7926 1.9885 1.4391 C.ar 1 UNL1111111111 -0.3461 25 C 2.8801 2.2584 0.8192 C.ar 1 UNL1111111111 -0.3467 26 C -2.9927 2.9130 0.4129 C.ar 1 UNL1111111111 0.3259 27 C 3.9577 1.6303 0.1926 C.ar 1 UNL1111111111 0.3190 28 H 0.8768 -0.3275 2.6387 H 1 UNL1111111111 0.1672 29 H -1.3881 -4.3806 0.7897 H 1 UNL1111111111 0.1601 30 H -1.6575 0.2893 2.0552 H 1 UNL1111111111 0.1518 31 H 0.7742 2.1593 1.1733 H 1 UNL1111111111 0.1624 32 H 0.5286 -2.3422 4.0610 H 1 UNL1111111111 0.1493 33 H -0.6084 -4.3419 3.1423 H 1 UNL1111111111 0.1527 34 H -2.4363 3.6366 -1.5344 H 1 UNL1111111111 0.1795 35 H 4.6801 -0.0096 -0.9920 H 1 UNL1111111111 0.1801 36 H -0.5229 2.8647 -2.7330 H 1 UNL1111111111 0.1488 37 H 0.5899 1.6794 -2.0288 H 1 UNL1111111111 0.1782 38 H -0.8560 1.1251 -2.8642 H 1 UNL1111111111 0.1879 39 H 1.9793 -2.2138 -0.7865 H 1 UNL1111111111 0.1673 40 H 1.8173 -1.3009 -2.2937 H 1 UNL1111111111 0.1972 41 H 3.4119 -1.7993 -1.7239 H 1 UNL1111111111 0.1528 42 H -3.3901 2.0108 2.3411 H 1 UNL1111111111 0.1598 43 H 3.0091 3.1761 1.3794 H 1 UNL1111111111 0.1645 44 H -4.4592 3.8402 1.3210 H 1 UNL1111111111 0.3277 45 H 5.2711 2.9698 0.7540 H 1 UNL1111111111 0.3275 @BOND 1 1 2 1 2 1 3 2 3 1 4 2 4 1 11 1 5 2 7 1 6 5 26 1 7 5 44 1 8 6 27 1 9 6 45 1 10 7 8 1 11 7 9 1 12 7 10 1 13 8 11 ar 14 8 12 ar 15 9 13 ar 16 9 16 ar 17 10 14 ar 18 10 17 ar 19 11 15 ar 20 12 18 ar 21 12 28 1 22 13 20 ar 23 13 22 1 24 14 21 ar 25 14 23 1 26 15 19 ar 27 15 29 1 28 16 24 ar 29 16 30 1 30 17 25 ar 31 17 31 1 32 18 19 ar 33 18 32 1 34 19 33 1 35 20 26 ar 36 20 34 1 37 21 27 ar 38 21 35 1 39 22 36 1 40 22 37 1 41 22 38 1 42 23 39 1 43 23 40 1 44 23 41 1 45 24 26 ar 46 24 42 1 47 25 27 ar 48 25 43 1