@MOLECULE 2-o-octyl-beta-d-glucopyranose 48 48 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.0658 1.3662 -0.1176 C.3 1 UNL1111111111 0.3316 2 O 1.6722 2.3883 -0.9860 O.3 1 UNL1111111111 -0.5564 3 C 1.6122 0.0074 -0.7139 C.3 1 UNL1111111111 -0.0105 4 O 0.3938 -0.3057 -0.0625 O.3 1 UNL1111111111 -0.4084 5 C 2.5122 -1.1989 -0.3961 C.3 1 UNL1111111111 0.1038 6 O 2.4113 -2.0173 -1.5479 O.3 1 UNL1111111111 -0.5541 7 C 3.9910 -0.8204 -0.2118 C.3 1 UNL1111111111 0.0495 8 O 4.5704 -1.9204 0.4555 O.3 1 UNL1111111111 -0.5735 9 C 4.1182 0.4437 0.6553 C.3 1 UNL1111111111 0.0309 10 O 3.4756 1.5076 -0.0108 O.3 1 UNL1111111111 -0.4822 11 C 5.5866 0.8955 0.7714 C.3 1 UNL1111111111 -0.0235 12 O 6.3117 -0.1092 1.4545 O.3 1 UNL1111111111 -0.5495 13 C -0.7566 0.2470 -0.7004 C.3 1 UNL1111111111 -0.0358 14 C -1.9196 -0.2275 0.1745 C.3 1 UNL1111111111 -0.2936 15 C -3.2410 0.3220 -0.3694 C.3 1 UNL1111111111 -0.2703 16 C -4.4310 -0.2584 0.4056 C.3 1 UNL1111111111 -0.2699 17 C -5.7497 0.3156 -0.1277 C.3 1 UNL1111111111 -0.2745 18 C -6.9512 -0.3359 0.5680 C.3 1 UNL1111111111 -0.2735 19 C -8.2657 0.2588 0.0443 C.3 1 UNL1111111111 -0.2512 20 C -9.4709 -0.4136 0.7015 C.3 1 UNL1111111111 -0.4397 21 H 1.5884 1.6054 0.8568 H 1 UNL1111111111 0.1493 22 H 2.3770 2.5959 -1.6394 H 1 UNL1111111111 0.3406 23 H 1.4760 0.0904 -1.8185 H 1 UNL1111111111 0.1677 24 H 2.1257 -1.7697 0.4827 H 1 UNL1111111111 0.1605 25 H 2.9347 -2.8378 -1.4148 H 1 UNL1111111111 0.3309 26 H 4.4976 -0.7013 -1.1961 H 1 UNL1111111111 0.1499 27 H 5.4541 -1.6583 0.8113 H 1 UNL1111111111 0.3499 28 H 3.6645 0.2917 1.6593 H 1 UNL1111111111 0.1386 29 H 6.0894 0.9546 -0.2128 H 1 UNL1111111111 0.1585 30 H 5.6791 1.8671 1.2845 H 1 UNL1111111111 0.1362 31 H 6.1145 -0.0933 2.4146 H 1 UNL1111111111 0.3226 32 H -0.8256 -0.1469 -1.7293 H 1 UNL1111111111 0.1226 33 H -0.6686 1.3476 -0.7265 H 1 UNL1111111111 0.1300 34 H -1.7612 0.0946 1.2211 H 1 UNL1111111111 0.1495 35 H -1.9344 -1.3345 0.2047 H 1 UNL1111111111 0.1532 36 H -3.3417 0.0799 -1.4448 H 1 UNL1111111111 0.1383 37 H -3.2492 1.4267 -0.3034 H 1 UNL1111111111 0.1384 38 H -4.3295 -0.0373 1.4841 H 1 UNL1111111111 0.1368 39 H -4.4357 -1.3614 0.3217 H 1 UNL1111111111 0.1386 40 H -5.8174 0.1572 -1.2204 H 1 UNL1111111111 0.1367 41 H -5.7733 1.4111 0.0223 H 1 UNL1111111111 0.1359 42 H -6.8816 -0.1944 1.6623 H 1 UNL1111111111 0.1365 43 H -6.9389 -1.4294 0.4034 H 1 UNL1111111111 0.1373 44 H -8.3220 0.1429 -1.0546 H 1 UNL1111111111 0.1337 45 H -8.2898 1.3483 0.2358 H 1 UNL1111111111 0.1333 46 H -10.4116 0.0148 0.3386 H 1 UNL1111111111 0.1402 47 H -9.4946 -1.4883 0.4891 H 1 UNL1111111111 0.1426 48 H -9.4525 -0.2929 1.7903 H 1 UNL1111111111 0.1424 @BOND 1 1 2 1 2 1 3 1 3 1 10 1 4 1 21 1 5 2 22 1 6 3 4 1 7 3 5 1 8 3 23 1 9 4 13 1 10 5 6 1 11 5 7 1 12 5 24 1 13 6 25 1 14 7 8 1 15 7 9 1 16 7 26 1 17 8 27 1 18 9 10 1 19 9 11 1 20 9 28 1 21 11 12 1 22 11 29 1 23 11 30 1 24 12 31 1 25 13 14 1 26 13 32 1 27 13 33 1 28 14 15 1 29 14 34 1 30 14 35 1 31 15 16 1 32 15 36 1 33 15 37 1 34 16 17 1 35 16 38 1 36 16 39 1 37 17 18 1 38 17 40 1 39 17 41 1 40 18 19 1 41 18 42 1 42 18 43 1 43 19 20 1 44 19 44 1 45 19 45 1 46 20 46 1 47 20 47 1 48 20 48 1