@MOLECULE (2R,5R,6S)-6-aminooxy-2-(hydroxymethyl)-6-sulfanyl-2,5-dihydropyran-3,4,5-triol 25 25 0 0 0 SMALL USER_CHARGES @ATOM 1 S 2.6280 -0.8900 -0.9597 S.3 1 UNL1111111 -0.2028 2 O 0.1719 -1.1781 -0.3120 O.3 1 UNL1111111 -0.3950 3 O 1.3955 0.0724 1.2826 O.3 1 UNL1111111 -0.2658 4 O 1.5930 2.1574 -0.2736 O.3 1 UNL1111111 -0.5151 5 O -1.0879 2.7172 -0.2068 O.2 1 UNL1111111 -0.4306 6 O -2.7863 0.7143 0.7075 O.2 1 UNL1111111 -0.4864 7 O -3.0397 -1.3887 -0.9490 O.3 1 UNL1111111 -0.5603 8 N 1.5381 -1.1045 2.0590 N.4 1 UNL1111111 -0.4061 9 C 1.1397 -0.2108 -0.0750 C.3 1 UNL1111111 0.3334 10 C 0.6673 1.1758 -0.6352 C.3 1 UNL1111111 0.0892 11 C -1.0519 -0.9996 0.4107 C.3 1 UNL1111111 0.0424 12 C -0.7266 1.4125 -0.1394 C.2 1 UNL1111111 0.0713 13 C -1.5229 0.4156 0.2883 C.2 1 UNL1111111 0.0361 14 C -2.0009 -2.0248 -0.2331 C.3 1 UNL1111111 -0.0175 15 H 0.6947 1.1867 -1.7564 H 1 UNL1111111 0.1842 16 H -0.8459 -1.2586 1.4810 H 1 UNL1111111 0.1802 17 H -2.5491 -2.6134 0.5267 H 1 UNL1111111 0.1531 18 H -1.4487 -2.7130 -0.9036 H 1 UNL1111111 0.1513 19 H 3.2877 0.2787 -1.0517 H 1 UNL1111111 0.1868 20 H 1.3440 2.5848 0.5794 H 1 UNL1111111 0.3383 21 H -2.0297 2.8248 0.1090 H 1 UNL1111111 0.3395 22 H -3.4112 0.0235 0.3370 H 1 UNL1111111 0.3583 23 H -2.6816 -0.9195 -1.7333 H 1 UNL1111111 0.3304 24 H 1.3983 -0.7253 2.9882 H 1 UNL1111111 0.2430 25 H 2.5087 -1.3770 1.9623 H 1 UNL1111111 0.2419 @BOND 1 15 10 1 2 23 7 1 3 19 1 1 4 1 9 1 5 7 14 1 6 18 14 1 7 10 4 1 8 10 12 1 9 10 9 1 10 2 9 1 11 2 11 1 12 4 20 1 13 14 11 1 14 14 17 1 15 5 12 1 16 5 21 1 17 12 13 2 18 9 3 1 19 13 11 1 20 13 6 1 21 22 6 1 22 11 16 1 23 3 8 1 24 25 8 1 25 8 24 1