@MOLECULE beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-alpha-d-glucopyranose 66 68 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3283 0.4801 -0.8804 O.3 1 UNL11 -0.4086 2 O 1.2748 -1.1556 -0.4582 O.3 1 UNL11 -0.5022 3 O 2.2511 0.8573 -0.3242 O.3 1 UNL11 -0.4054 4 O -4.0197 -0.4655 0.2562 O.3 1 UNL11 -0.5268 5 O 6.2536 1.3239 0.1311 O.3 1 UNL11 -0.4479 6 O -0.2799 1.9684 0.5621 O.3 1 UNL11 -0.5539 7 O -2.0766 -2.3238 0.0338 O.3 1 UNL11 -0.5724 8 O 4.0813 -1.1428 -1.3379 O.3 1 UNL11 -0.5588 9 O -4.1181 2.6485 -1.6154 O.3 1 UNL11 -0.5542 10 O 3.2458 2.2460 1.9938 O.3 1 UNL11 -0.5339 11 O -6.8335 1.6012 -1.7073 O.3 1 UNL11 -0.5612 12 O -7.4321 0.4010 0.8627 O.3 1 UNL11 -0.5473 13 O 5.5484 0.8858 2.2874 O.3 1 UNL11 -0.6193 14 O 1.8086 -3.8920 -0.1839 O.3 1 UNL11 -0.5332 15 O 7.9221 -0.9530 -0.8734 O.3 1 UNL11 -0.5461 16 O -4.4890 -2.1010 2.4783 O.3 1 UNL11 -0.5328 17 C -1.2987 -0.0484 -0.0474 C.3 1 UNL11 0.0303 18 C -0.0751 0.8487 -0.2734 C.3 1 UNL11 0.0587 19 C -1.0914 -1.4974 -0.5428 C.3 1 UNL11 0.0711 20 C 1.1943 0.1035 0.1930 C.3 1 UNL11 0.2717 21 C 0.2572 -2.0610 -0.0562 C.3 1 UNL11 0.0584 22 C 3.5176 0.5846 0.2630 C.3 1 UNL11 0.0068 23 C -3.5101 0.7840 -0.1996 C.3 1 UNL11 0.2810 24 C 4.4287 0.1518 -0.9026 C.3 1 UNL11 0.0663 25 C -4.4761 1.3285 -1.2708 C.3 1 UNL11 0.0305 26 C 4.0016 1.9164 0.8607 C.3 1 UNL11 0.0568 27 C -5.8890 1.4447 -0.6692 C.3 1 UNL11 0.0690 28 C -6.3196 0.1391 0.0367 C.3 1 UNL11 0.0727 29 C 5.8760 0.0473 -0.3806 C.3 1 UNL11 0.0809 30 C -5.2190 -0.3461 1.0050 C.3 1 UNL11 0.0670 31 C 5.5051 1.7901 1.2120 C.3 1 UNL11 0.3112 32 C 0.6362 -3.3695 -0.7644 C.3 1 UNL11 -0.0133 33 C 6.8781 -0.2267 -1.5045 C.3 1 UNL11 -0.0188 34 C -5.4746 -1.7656 1.5292 C.3 1 UNL11 -0.0203 35 H -1.5923 -0.0349 1.0291 H 1 UNL11 0.1662 36 H 0.0034 1.2017 -1.3249 H 1 UNL11 0.1637 37 H -1.1942 -1.5529 -1.6503 H 1 UNL11 0.1520 38 H 1.2610 -0.0303 1.2933 H 1 UNL11 0.1338 39 H 0.2764 -2.1906 1.0490 H 1 UNL11 0.1546 40 H 3.4566 -0.2104 1.0385 H 1 UNL11 0.1621 41 H -3.3278 1.4632 0.6589 H 1 UNL11 0.1421 42 H 4.3360 0.8439 -1.7677 H 1 UNL11 0.1459 43 H -4.4640 0.7042 -2.1921 H 1 UNL11 0.1630 44 H 3.8131 2.7687 0.1679 H 1 UNL11 0.1679 45 H -5.9667 2.3256 0.0105 H 1 UNL11 0.1551 46 H -6.6032 -0.6357 -0.7103 H 1 UNL11 0.1517 47 H 5.9690 -0.7235 0.4204 H 1 UNL11 0.1686 48 H -5.0697 0.3639 1.8494 H 1 UNL11 0.1559 49 H 6.0036 2.7415 1.4930 H 1 UNL11 0.1478 50 H 0.7897 -3.2279 -1.8488 H 1 UNL11 0.1273 51 H -0.1262 -4.1545 -0.5840 H 1 UNL11 0.1681 52 H 0.5790 2.4129 0.7548 H 1 UNL11 0.3436 53 H -2.9474 -1.8616 0.0062 H 1 UNL11 0.3525 54 H 6.4271 -0.8602 -2.2935 H 1 UNL11 0.1449 55 H 7.2820 0.7083 -1.9331 H 1 UNL11 0.1323 56 H -6.4243 -1.8104 2.1012 H 1 UNL11 0.1688 57 H -5.4866 -2.5148 0.7188 H 1 UNL11 0.1289 58 H 3.0979 -1.2162 -1.4050 H 1 UNL11 0.3485 59 H -3.1504 2.6995 -1.7905 H 1 UNL11 0.3411 60 H 3.5258 1.7061 2.7701 H 1 UNL11 0.3376 61 H -6.5799 2.3619 -2.2782 H 1 UNL11 0.3407 62 H -8.1322 0.8509 0.3347 H 1 UNL11 0.3391 63 H 6.4430 0.5031 2.4037 H 1 UNL11 0.3574 64 H 2.5502 -3.2554 -0.2876 H 1 UNL11 0.3241 65 H 8.6426 -1.1330 -1.5061 H 1 UNL11 0.3136 66 H -3.6062 -2.1538 2.0475 H 1 UNL11 0.3252 @BOND 1 1 17 1 2 1 23 1 3 2 20 1 4 2 21 1 5 3 20 1 6 3 22 1 7 4 23 1 8 4 30 1 9 5 29 1 10 5 31 1 11 6 18 1 12 6 52 1 13 7 19 1 14 7 53 1 15 8 24 1 16 8 58 1 17 9 25 1 18 9 59 1 19 10 26 1 20 10 60 1 21 11 27 1 22 11 61 1 23 12 28 1 24 12 62 1 25 13 31 1 26 13 63 1 27 14 32 1 28 14 64 1 29 15 33 1 30 15 65 1 31 16 34 1 32 16 66 1 33 17 18 1 34 17 19 1 35 17 35 1 36 18 20 1 37 18 36 1 38 19 21 1 39 19 37 1 40 20 38 1 41 21 32 1 42 21 39 1 43 22 24 1 44 22 26 1 45 22 40 1 46 23 25 1 47 23 41 1 48 24 29 1 49 24 42 1 50 25 27 1 51 25 43 1 52 26 31 1 53 26 44 1 54 27 28 1 55 27 45 1 56 28 30 1 57 28 46 1 58 29 33 1 59 29 47 1 60 30 34 1 61 30 48 1 62 31 49 1 63 32 50 1 64 32 51 1 65 33 54 1 66 33 55 1 67 34 56 1 68 34 57 1