@MOLECULE 4-sec-butylphenyl 6-chloro-6-deoxy-beta-d-glucopyranoside 45 46 0 0 0 SMALL GASTEIGER @ATOM 1 CL 0.3209 3.0468 0.1309 Cl 1 UNL1111111111 -0.1422 2 O 1.3226 0.2539 -0.4087 O.3 1 UNL1111111111 -0.4157 3 O 0.4185 -1.7908 -0.4539 O.3 1 UNL1111111111 -0.3223 4 O 5.0526 -1.2564 -0.3260 O.3 1 UNL1111111111 -0.5169 5 O 4.6228 1.5808 0.2936 O.3 1 UNL1111111111 -0.5398 6 O 2.8587 -2.9184 0.5126 O.3 1 UNL1111111111 -0.4888 7 C 3.8968 -0.7270 0.2834 C.3 1 UNL1111111111 0.0319 8 C 3.6542 0.7096 -0.2280 C.3 1 UNL1111111111 0.0360 9 C 2.7576 -1.6842 -0.1360 C.3 1 UNL1111111111 0.0714 10 C 2.2314 1.1816 0.1460 C.3 1 UNL1111111111 0.0447 11 C 1.3973 -1.0305 0.2057 C.3 1 UNL1111111111 0.2364 12 C 1.8811 2.5012 -0.5229 C.3 1 UNL1111111111 -0.1985 13 C -0.8745 -1.3707 -0.2031 C.ar 1 UNL1111111111 0.2102 14 C -4.9686 -0.2932 0.3876 C.3 1 UNL1111111111 -0.0935 15 C -3.5348 -0.6964 0.1682 C.ar 1 UNL1111111111 -0.0204 16 C -5.2604 1.0759 -0.2601 C.3 1 UNL1111111111 -0.2557 17 C -1.3760 -1.2885 1.0940 C.ar 1 UNL1111111111 -0.2367 18 C -1.6745 -1.1437 -1.3227 C.ar 1 UNL1111111111 -0.1965 19 C -2.7149 -0.9527 1.2707 C.ar 1 UNL1111111111 -0.1402 20 C -3.0092 -0.8075 -1.1228 C.ar 1 UNL1111111111 -0.1327 21 C -5.9055 -1.3718 -0.1778 C.3 1 UNL1111111111 -0.4495 22 C -4.3975 2.1832 0.3432 C.3 1 UNL1111111111 -0.4394 23 H 4.0560 -0.7467 1.3839 H 1 UNL1111111111 0.1223 24 H 3.8409 0.7727 -1.3257 H 1 UNL1111111111 0.1792 25 H 2.8273 -1.9651 -1.2145 H 1 UNL1111111111 0.1961 26 H 2.1014 1.2328 1.2522 H 1 UNL1111111111 0.1357 27 H 1.1947 -0.9477 1.2926 H 1 UNL1111111111 0.1155 28 H 2.6198 3.2953 -0.3203 H 1 UNL1111111111 0.1694 29 H 1.7465 2.3897 -1.6135 H 1 UNL1111111111 0.1763 30 H 5.7792 -0.5931 -0.3075 H 1 UNL1111111111 0.3238 31 H 4.5496 1.6769 1.2644 H 1 UNL1111111111 0.3158 32 H 2.9709 -2.8190 1.4799 H 1 UNL1111111111 0.3010 33 H -5.1704 -0.2019 1.4850 H 1 UNL1111111111 0.1384 34 H -5.0945 1.0248 -1.3520 H 1 UNL1111111111 0.1379 35 H -6.3318 1.3191 -0.1289 H 1 UNL1111111111 0.1329 36 H -0.7425 -1.4933 1.9506 H 1 UNL1111111111 0.1571 37 H -1.2517 -1.2250 -2.3207 H 1 UNL1111111111 0.1729 38 H -3.1209 -0.8866 2.2809 H 1 UNL1111111111 0.1516 39 H -3.6476 -0.6202 -1.9854 H 1 UNL1111111111 0.1559 40 H -6.9507 -1.1503 0.0482 H 1 UNL1111111111 0.1425 41 H -5.6718 -2.3537 0.2485 H 1 UNL1111111111 0.1497 42 H -5.8086 -1.4583 -1.2652 H 1 UNL1111111111 0.1475 43 H -3.3313 2.0329 0.1238 H 1 UNL1111111111 0.1552 44 H -4.4982 2.2244 1.4347 H 1 UNL1111111111 0.1409 45 H -4.6753 3.1641 -0.0557 H 1 UNL1111111111 0.1404 @BOND 1 1 12 1 2 2 10 1 3 2 11 1 4 3 11 1 5 3 13 1 6 4 7 1 7 4 30 1 8 5 8 1 9 5 31 1 10 6 9 1 11 6 32 1 12 7 8 1 13 7 9 1 14 7 23 1 15 8 10 1 16 8 24 1 17 9 11 1 18 9 25 1 19 10 12 1 20 10 26 1 21 11 27 1 22 12 28 1 23 12 29 1 24 13 17 ar 25 13 18 ar 26 14 15 1 27 14 16 1 28 14 21 1 29 14 33 1 30 15 19 ar 31 15 20 ar 32 16 22 1 33 16 34 1 34 16 35 1 35 17 19 ar 36 17 36 1 37 18 20 ar 38 18 37 1 39 19 38 1 40 20 39 1 41 21 40 1 42 21 41 1 43 21 42 1 44 22 43 1 45 22 44 1 46 22 45 1