@MOLECULE 1,5-di-o-acetyl-2,3-di-o-benzoyl-4-thiopentofuranose 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.7464 2.7698 -0.0571 S.3 1 UNL111111 0.0032 2 O -1.1651 -0.9637 0.4284 O.3 1 UNL111111 -0.4547 3 O 1.4517 0.6021 -0.1633 O.3 1 UNL111111 -0.4233 4 O 0.7891 3.0202 0.2582 O.3 1 UNL111111 -0.4138 5 O -4.3494 1.2863 0.8380 O.3 1 UNL111111 -0.4464 6 O 0.5492 -1.8624 1.5801 O.2 1 UNL111111 -0.4992 7 O 1.7298 -0.8218 -1.8869 O.2 1 UNL111111 -0.4678 8 O 2.5089 2.9002 -1.1956 O.2 1 UNL111111 -0.5238 9 O -5.1736 1.3445 -1.2580 O.2 1 UNL111111 -0.5019 10 C -0.7253 0.3575 0.7270 C.3 1 UNL111111 0.0971 11 C 0.0937 0.8342 -0.4983 C.3 1 UNL111111 0.0350 12 C -1.9913 1.2059 0.9026 C.3 1 UNL111111 -0.2300 13 C -0.0601 2.3550 -0.6569 C.3 1 UNL111111 0.0439 14 C -3.2481 0.4755 0.4318 C.3 1 UNL111111 -0.0075 15 C -0.3915 -2.0097 0.8440 C.2 1 UNL111111 0.6273 16 C 2.1918 -0.2418 -0.9426 C.2 1 UNL111111 0.6215 17 C 2.1056 3.1405 -0.0877 C.2 1 UNL111111 0.6510 18 C -0.9058 -3.2671 0.2797 C.ar 1 UNL111111 -0.1463 19 C 3.5596 -0.2806 -0.3910 C.ar 1 UNL111111 -0.1710 20 C -5.2237 1.7098 -0.1138 C.2 1 UNL111111 0.6358 21 C 2.8795 3.6203 1.0886 C.3 1 UNL111111 -0.5125 22 C -0.5312 -4.4639 0.8960 C.ar 1 UNL111111 -0.0788 23 C -1.7235 -3.2723 -0.8513 C.ar 1 UNL111111 -0.0626 24 C 4.5393 0.5382 -0.9601 C.ar 1 UNL111111 -0.0509 25 C 3.8192 -1.1288 0.6962 C.ar 1 UNL111111 -0.0530 26 C -6.2076 2.6390 0.5093 C.3 1 UNL111111 -0.5144 27 C -0.9908 -5.6728 0.3814 C.ar 1 UNL111111 -0.1794 28 C -2.1790 -4.4863 -1.3612 C.ar 1 UNL111111 -0.1746 29 C 5.8410 0.5153 -0.4375 C.ar 1 UNL111111 -0.2221 30 C 5.1156 -1.1705 1.2313 C.ar 1 UNL111111 -0.2221 31 C -1.8148 -5.6826 -0.7445 C.ar 1 UNL111111 -0.0981 32 C 5.9980 -0.3401 0.6114 C.ar 1 UNL111111 0.0495 33 H -0.0918 0.3587 1.6472 H 1 UNL111111 0.1800 34 H -0.2009 0.2863 -1.4249 H 1 UNL111111 0.1861 35 H -2.1229 1.4925 1.9745 H 1 UNL111111 0.1808 36 H 0.1205 2.7190 -1.6900 H 1 UNL111111 0.1770 37 H -3.3995 -0.4768 0.9811 H 1 UNL111111 0.1539 38 H -3.2602 0.2671 -0.6553 H 1 UNL111111 0.1681 39 H 3.7023 4.2815 0.7774 H 1 UNL111111 0.1838 40 H 2.2532 4.1625 1.8145 H 1 UNL111111 0.1871 41 H 3.3257 2.7634 1.6234 H 1 UNL111111 0.1925 42 H 0.1215 -4.4448 1.7716 H 1 UNL111111 0.1686 43 H -1.9996 -2.3339 -1.3378 H 1 UNL111111 0.1719 44 H 4.2888 1.2007 -1.7912 H 1 UNL111111 0.1820 45 H 3.0298 -1.7412 1.1267 H 1 UNL111111 0.1809 46 H -7.2220 2.4474 0.1268 H 1 UNL111111 0.1846 47 H -6.2329 2.5580 1.6069 H 1 UNL111111 0.1854 48 H -5.9547 3.6836 0.2628 H 1 UNL111111 0.1887 49 H -0.7048 -6.6098 0.8552 H 1 UNL111111 0.1563 50 H -2.8162 -4.5047 -2.2432 H 1 UNL111111 0.1592 51 H 6.6361 1.1257 -0.8407 H 1 UNL111111 0.1766 52 H 5.3760 -1.8147 2.0651 H 1 UNL111111 0.1764 53 H -2.1725 -6.6307 -1.1453 H 1 UNL111111 0.1501 @BOND 1 51 29 1 2 32 29 ar 3 32 30 ar 4 29 24 ar 5 52 30 1 6 30 25 ar 7 24 44 1 8 24 19 ar 9 39 21 1 10 19 25 ar 11 19 16 1 12 25 45 1 13 41 21 1 14 21 17 1 15 21 40 1 16 8 17 2 17 17 4 1 18 16 7 2 19 16 3 1 20 3 11 1 21 4 13 1 22 36 13 1 23 13 11 1 24 13 1 1 25 11 34 1 26 11 10 1 27 6 15 2 28 33 10 1 29 42 22 1 30 10 2 1 31 10 12 1 32 15 2 1 33 15 18 1 34 22 18 ar 35 22 27 ar 36 1 12 1 37 18 23 ar 38 49 27 1 39 27 31 ar 40 12 35 1 41 12 14 1 42 23 43 1 43 23 28 ar 44 31 28 ar 45 31 53 1 46 28 50 1 47 38 14 1 48 14 37 1 49 14 5 1 50 5 20 1 51 9 20 2 52 20 26 1 53 48 26 1 54 26 47 1 55 26 46 1