@MOLECULE n-{[(2e)-2-(3-chlorobenzylidene)hydrazino]carbonothioyl}-beta-d-glucopyranosylamine 42 43 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.4642 -0.2834 0.7189 C.3 1 UNL11111111111 0.2383 2 N -1.0510 -0.6326 0.8215 N.am 1 UNL11111111111 -0.5172 3 S -1.6107 -3.2949 0.9264 S.2 1 UNL11111111111 -0.4502 4 CL 7.5771 0.4474 -0.0015 Cl 1 UNL11111111111 -0.0742 5 C -2.6951 1.1274 1.3254 C.3 1 UNL11111111111 0.0275 6 N 0.6797 -2.1848 0.3557 N.am 1 UNL11111111111 -0.3877 7 O -2.7385 1.0335 2.7319 O.3 1 UNL11111111111 -0.5486 8 C -4.0905 1.6486 0.9308 C.3 1 UNL11111111111 0.0708 9 N 1.5211 -1.1241 0.1881 N.2 1 UNL11111111111 -0.1841 10 O -3.8534 -1.4557 -2.8935 O.3 1 UNL11111111111 -0.5314 11 C -4.3450 1.5015 -0.5844 C.3 1 UNL11111111111 0.0703 12 O -5.7172 1.6789 -0.8503 O.3 1 UNL11111111111 -0.5438 13 C -4.0320 0.0610 -1.0331 C.3 1 UNL11111111111 0.0479 14 O -2.6834 -0.2155 -0.6806 O.3 1 UNL11111111111 -0.4609 15 C -4.0383 -0.0986 -2.5592 C.3 1 UNL11111111111 -0.0151 16 O -4.1460 3.0423 1.1536 O.3 1 UNL11111111111 -0.5644 17 C -0.6555 -1.9443 0.6724 C.2 1 UNL11111111111 0.4877 18 C 2.7789 -1.3490 -0.0485 C.2 1 UNL11111111111 -0.0452 19 C 3.6757 -0.2028 -0.2382 C.ar 1 UNL11111111111 0.0014 20 C 5.0500 -0.3996 -0.0509 C.ar 1 UNL11111111111 -0.1718 21 C 5.8993 0.6816 -0.2317 C.ar 1 UNL11111111111 0.0249 22 C 5.4454 1.9448 -0.5923 C.ar 1 UNL11111111111 -0.1574 23 C 4.0760 2.1251 -0.7773 C.ar 1 UNL11111111111 -0.1269 24 C 3.1948 1.0593 -0.6018 C.ar 1 UNL11111111111 -0.1291 25 H -3.1315 -1.0516 1.1895 H 1 UNL11111111111 0.1844 26 H -0.3968 0.0976 0.5190 H 1 UNL11111111111 0.3293 27 H -1.9031 1.8530 1.0379 H 1 UNL11111111111 0.1491 28 H 1.0363 -3.1482 0.3652 H 1 UNL11111111111 0.3317 29 H -1.9464 0.5549 3.0650 H 1 UNL11111111111 0.3366 30 H -4.8901 1.1597 1.5346 H 1 UNL11111111111 0.1573 31 H -3.0755 -1.8084 -2.4045 H 1 UNL11111111111 0.3276 32 H -3.7659 2.2592 -1.1574 H 1 UNL11111111111 0.1473 33 H -6.0116 2.5488 -0.4942 H 1 UNL11111111111 0.3373 34 H -4.7139 -0.6788 -0.5555 H 1 UNL11111111111 0.1604 35 H -3.2472 0.5010 -3.0433 H 1 UNL11111111111 0.1281 36 H -5.0288 0.1573 -2.9849 H 1 UNL11111111111 0.1637 37 H -3.9699 3.2382 2.1006 H 1 UNL11111111111 0.3390 38 H 3.2451 -2.3429 -0.1117 H 1 UNL11111111111 0.1644 39 H 5.4389 -1.3777 0.2335 H 1 UNL11111111111 0.1763 40 H 6.1373 2.7760 -0.7297 H 1 UNL11111111111 0.1744 41 H 3.6918 3.1048 -1.0620 H 1 UNL11111111111 0.1619 42 H 2.1240 1.2078 -0.7516 H 1 UNL11111111111 0.1703 @BOND 1 1 25 1 2 2 1 1 3 2 17 1 4 2 26 1 5 4 21 1 6 5 1 1 7 5 8 1 8 5 7 1 9 5 27 1 10 6 17 1 11 6 28 1 12 7 29 1 13 8 30 1 14 9 6 1 15 10 15 1 16 10 31 1 17 11 8 1 18 11 12 1 19 11 13 1 20 11 32 1 21 12 33 1 22 13 34 1 23 14 1 1 24 14 13 1 25 15 13 1 26 15 35 1 27 15 36 1 28 16 8 1 29 16 37 1 30 17 3 2 31 18 9 2 32 18 38 1 33 19 18 1 34 20 19 ar 35 20 39 1 36 21 20 ar 37 22 21 ar 38 22 23 ar 39 22 40 1 40 23 24 ar 41 23 41 1 42 24 19 ar 43 24 42 1