@MOLECULE n-{[(2z)-2-(4-hydroxybenzylidene)hydrazino]carbonothioyl}-beta-d-glucopyranosylamine 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.1847 -0.4956 -0.4614 C.3 1 UNL111111111 0.2370 2 C -3.1659 -1.5644 0.0908 C.3 1 UNL111111111 0.0281 3 O -3.1712 -2.6933 -0.7544 O.3 1 UNL111111111 -0.5499 4 C -4.6038 -1.0151 0.0236 C.3 1 UNL111111111 0.0712 5 O -5.4532 -1.8243 0.8099 O.3 1 UNL111111111 -0.5644 6 C -4.7036 0.3819 0.6737 C.3 1 UNL111111111 0.0700 7 O -5.9198 0.9877 0.2971 O.3 1 UNL111111111 -0.5459 8 C -3.6115 1.3148 0.1130 C.3 1 UNL111111111 0.0484 9 O -2.3513 0.6879 0.3041 O.3 1 UNL111111111 -0.4619 10 C -3.4816 2.6161 0.9162 C.3 1 UNL111111111 -0.0152 11 O -2.5473 3.4687 0.2926 O.3 1 UNL111111111 -0.5337 12 N -0.8108 -0.8947 -0.1819 N.am 1 UNL111111111 -0.5211 13 C 0.2269 -0.3123 -0.8815 C.2 1 UNL111111111 0.4887 14 N 1.4951 -0.3619 -0.3198 N.am 1 UNL111111111 -0.3903 15 S 0.1096 0.3944 -2.3981 S.2 1 UNL111111111 -0.4657 16 N 1.6633 -0.9895 0.8848 N.2 1 UNL111111111 -0.2050 17 C 2.8338 -1.0514 1.4317 C.2 1 UNL111111111 -0.0090 18 C 4.1090 -0.5287 0.9298 C.ar 1 UNL111111111 -0.1670 19 C 4.2704 0.8389 0.6957 C.ar 1 UNL111111111 -0.0574 20 C 5.4861 1.3330 0.2345 C.ar 1 UNL111111111 -0.3086 21 C 6.5308 0.4305 0.0186 C.ar 1 UNL111111111 0.3146 22 C 6.3919 -0.9454 0.2505 C.ar 1 UNL111111111 -0.2471 23 C 5.1723 -1.4153 0.7122 C.ar 1 UNL111111111 -0.0593 24 O 7.7505 0.8178 -0.4225 O.3 1 UNL111111111 -0.4593 25 H -2.3602 -0.2949 -1.5507 H 1 UNL111111111 0.1852 26 H -2.9083 -1.8929 1.1210 H 1 UNL111111111 0.1495 27 H -2.2485 -2.9734 -0.9489 H 1 UNL111111111 0.3377 28 H -4.9886 -1.0126 -1.0225 H 1 UNL111111111 0.1562 29 H -5.4060 -2.7568 0.5014 H 1 UNL111111111 0.3397 30 H -4.6681 0.3036 1.7829 H 1 UNL111111111 0.1473 31 H -6.6704 0.3980 0.5372 H 1 UNL111111111 0.3369 32 H -3.7709 1.5308 -0.9681 H 1 UNL111111111 0.1611 33 H -4.4281 3.1915 0.9039 H 1 UNL111111111 0.1623 34 H -3.1582 2.4320 1.9563 H 1 UNL111111111 0.1281 35 H -1.7282 2.9621 0.0907 H 1 UNL111111111 0.3279 36 H -0.6261 -1.1840 0.7853 H 1 UNL111111111 0.3302 37 H 2.3146 -0.0846 -0.8774 H 1 UNL111111111 0.3375 38 H 2.8697 -1.5749 2.4037 H 1 UNL111111111 0.1929 39 H 3.4427 1.5273 0.8830 H 1 UNL111111111 0.1650 40 H 5.6169 2.3951 0.0516 H 1 UNL111111111 0.1711 41 H 7.2327 -1.6119 0.0684 H 1 UNL111111111 0.1832 42 H 5.0369 -2.4813 0.9023 H 1 UNL111111111 0.1588 43 H 7.7996 1.7910 -0.5975 H 1 UNL111111111 0.3324 @BOND 1 1 9 1 2 1 12 1 3 1 25 1 4 2 1 1 5 2 26 1 6 3 2 1 7 3 27 1 8 4 2 1 9 4 6 1 10 4 28 1 11 5 4 1 12 5 29 1 13 6 8 1 14 6 30 1 15 7 6 1 16 7 31 1 17 8 10 1 18 8 9 1 19 8 32 1 20 10 33 1 21 10 34 1 22 11 10 1 23 11 35 1 24 12 13 1 25 12 36 1 26 13 15 2 27 13 14 1 28 14 37 1 29 16 14 1 30 16 17 2 31 17 18 1 32 17 38 1 33 18 19 ar 34 18 23 ar 35 19 20 ar 36 19 39 1 37 20 21 ar 38 20 40 1 39 21 24 1 40 22 21 ar 41 22 41 1 42 23 22 ar 43 23 42 1 44 24 43 1