@MOLECULE tetradecyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside 87 88 0 0 0 SMALL GASTEIGER @ATOM 1 C 16.9625 -0.9980 -0.3811 C.3 1 UNL1111111111 -0.4398 2 C 15.6334 -1.3564 0.2836 C.3 1 UNL1111111111 -0.2510 3 C 14.4740 -0.5714 -0.3452 C.3 1 UNL1111111111 -0.2721 4 C 13.1414 -0.9593 0.3077 C.3 1 UNL1111111111 -0.2747 5 C 11.9790 -0.1676 -0.3054 C.3 1 UNL1111111111 -0.2720 6 C 10.6476 -0.5912 0.3289 C.3 1 UNL1111111111 -0.2717 7 C 9.4828 0.2211 -0.2516 C.3 1 UNL1111111111 -0.2726 8 C 8.1504 -0.2239 0.3656 C.3 1 UNL1111111111 -0.2728 9 C 6.9874 0.6102 -0.1871 C.3 1 UNL1111111111 -0.2738 10 C 5.6538 0.1479 0.4143 C.3 1 UNL1111111111 -0.2724 11 C 4.4936 0.9968 -0.1215 C.3 1 UNL1111111111 -0.2693 12 C 3.1580 0.5159 0.4610 C.3 1 UNL1111111111 -0.2676 13 C 2.0029 1.3731 -0.0639 C.3 1 UNL1111111111 -0.2996 14 C 0.6719 0.8620 0.4908 C.3 1 UNL1111111111 -0.0164 15 O -0.2990 1.6996 -0.1423 O.3 1 UNL1111111111 -0.4300 16 C -1.5935 1.5734 0.3683 C.3 1 UNL1111111111 0.2703 17 C -2.4712 2.3600 -0.6285 C.3 1 UNL1111111111 0.0312 18 O -2.3254 3.7429 -0.3817 O.3 1 UNL1111111111 -0.5601 19 C -3.9660 2.0893 -0.3875 C.3 1 UNL1111111111 0.0799 20 O -4.6881 2.4956 -1.5333 O.3 1 UNL1111111111 -0.5624 21 O -1.9349 0.1949 0.3102 O.3 1 UNL1111111111 -0.4652 22 C -3.2586 -0.0769 0.7299 C.3 1 UNL1111111111 0.0448 23 C -3.3429 -1.6104 0.6882 C.3 1 UNL1111111111 -0.0140 24 O -2.6631 -2.1440 1.8012 O.3 1 UNL1111111111 -0.5314 25 C -4.2562 0.5828 -0.2493 C.3 1 UNL1111111111 0.0579 26 O -5.5000 0.3985 0.4041 O.3 1 UNL1111111111 -0.4845 27 C -6.6485 0.6442 -0.3797 C.3 1 UNL1111111111 0.2839 28 O -6.7997 -0.3178 -1.3779 O.3 1 UNL1111111111 -0.4464 29 C -6.8541 -1.6702 -0.9404 C.3 1 UNL1111111111 0.0418 30 C -7.0025 -2.4630 -2.2449 C.3 1 UNL1111111111 -0.0153 31 O -5.8085 -2.3798 -2.9925 O.3 1 UNL1111111111 -0.5394 32 C -8.0634 -1.8595 -0.0062 C.3 1 UNL1111111111 0.0761 33 O -7.9449 -3.1822 0.4701 O.3 1 UNL1111111111 -0.5500 34 C -7.9656 -0.8660 1.1674 C.3 1 UNL1111111111 0.0487 35 O -9.1968 -0.9972 1.8488 O.3 1 UNL1111111111 -0.5686 36 C -7.8053 0.5715 0.6456 C.3 1 UNL1111111111 0.0267 37 O -7.5795 1.4368 1.7287 O.3 1 UNL1111111111 -0.5370 38 H 16.9507 -1.2318 -1.4514 H 1 UNL1111111111 0.1424 39 H 17.1866 0.0696 -0.2794 H 1 UNL1111111111 0.1423 40 H 17.7932 -1.5531 0.0682 H 1 UNL1111111111 0.1401 41 H 15.4472 -2.4432 0.1924 H 1 UNL1111111111 0.1336 42 H 15.6855 -1.1481 1.3689 H 1 UNL1111111111 0.1334 43 H 14.6498 0.5146 -0.2361 H 1 UNL1111111111 0.1364 44 H 14.4338 -0.7636 -1.4334 H 1 UNL1111111111 0.1366 45 H 12.9641 -2.0444 0.1873 H 1 UNL1111111111 0.1364 46 H 13.1876 -0.7785 1.3978 H 1 UNL1111111111 0.1362 47 H 12.1413 0.9167 -0.1614 H 1 UNL1111111111 0.1364 48 H 11.9458 -0.3273 -1.3991 H 1 UNL1111111111 0.1366 49 H 10.4770 -1.6712 0.1622 H 1 UNL1111111111 0.1365 50 H 10.6919 -0.4567 1.4258 H 1 UNL1111111111 0.1363 51 H 9.6452 1.2992 -0.0669 H 1 UNL1111111111 0.1365 52 H 9.4489 0.1029 -1.3506 H 1 UNL1111111111 0.1368 53 H 7.9792 -1.2969 0.1593 H 1 UNL1111111111 0.1368 54 H 8.1932 -0.1295 1.4666 H 1 UNL1111111111 0.1363 55 H 7.1520 1.6815 0.0334 H 1 UNL1111111111 0.1367 56 H 6.9538 0.5290 -1.2896 H 1 UNL1111111111 0.1374 57 H 5.4837 -0.9195 0.1795 H 1 UNL1111111111 0.1375 58 H 5.6935 0.2134 1.5175 H 1 UNL1111111111 0.1361 59 H 4.6573 2.0615 0.1292 H 1 UNL1111111111 0.1373 60 H 4.4655 0.9461 -1.2262 H 1 UNL1111111111 0.1393 61 H 2.9954 -0.5471 0.1983 H 1 UNL1111111111 0.1403 62 H 3.1925 0.5561 1.5660 H 1 UNL1111111111 0.1377 63 H 2.1462 2.4351 0.2111 H 1 UNL1111111111 0.1494 64 H 1.9748 1.3552 -1.1716 H 1 UNL1111111111 0.1563 65 H 0.4691 -0.1837 0.1992 H 1 UNL1111111111 0.1351 66 H 0.6013 0.9670 1.5856 H 1 UNL1111111111 0.1168 67 H -1.6453 1.9321 1.4158 H 1 UNL1111111111 0.1232 68 H -2.1772 2.1406 -1.6808 H 1 UNL1111111111 0.1647 69 H -1.3836 4.0059 -0.4787 H 1 UNL1111111111 0.3376 70 H -4.3467 2.6669 0.4864 H 1 UNL1111111111 0.1530 71 H -4.4702 3.4299 -1.7516 H 1 UNL1111111111 0.3389 72 H -3.4098 0.2963 1.7684 H 1 UNL1111111111 0.1490 73 H -4.3839 -1.9659 0.8249 H 1 UNL1111111111 0.1597 74 H -2.9172 -2.0233 -0.2447 H 1 UNL1111111111 0.1393 75 H -1.7176 -1.8857 1.7689 H 1 UNL1111111111 0.3182 76 H -4.2711 0.0886 -1.2459 H 1 UNL1111111111 0.1660 77 H -6.5806 1.5993 -0.9476 H 1 UNL1111111111 0.1783 78 H -5.9026 -1.9277 -0.4227 H 1 UNL1111111111 0.1571 79 H -7.1205 -3.5462 -2.0428 H 1 UNL1111111111 0.1641 80 H -7.8408 -2.0955 -2.8625 H 1 UNL1111111111 0.1282 81 H -5.5594 -1.4373 -3.1087 H 1 UNL1111111111 0.3226 82 H -9.0368 -1.7610 -0.5346 H 1 UNL1111111111 0.1455 83 H -8.5724 -3.3205 1.2160 H 1 UNL1111111111 0.3391 84 H -7.1499 -1.1438 1.8727 H 1 UNL1111111111 0.1525 85 H -9.3080 -0.2549 2.4836 H 1 UNL1111111111 0.3392 86 H -8.7539 0.9533 0.2009 H 1 UNL1111111111 0.1697 87 H -6.6422 1.3740 2.0260 H 1 UNL1111111111 0.3332 @BOND 1 1 38 1 2 1 39 1 3 1 40 1 4 2 1 1 5 2 41 1 6 2 42 1 7 3 2 1 8 3 43 1 9 3 44 1 10 4 3 1 11 4 45 1 12 4 46 1 13 5 4 1 14 5 47 1 15 5 48 1 16 6 5 1 17 6 49 1 18 6 50 1 19 7 6 1 20 7 51 1 21 7 52 1 22 8 7 1 23 8 53 1 24 8 54 1 25 9 8 1 26 9 55 1 27 9 56 1 28 10 9 1 29 10 57 1 30 10 58 1 31 11 10 1 32 11 59 1 33 11 60 1 34 12 11 1 35 12 61 1 36 12 62 1 37 13 12 1 38 13 63 1 39 13 64 1 40 14 13 1 41 14 65 1 42 14 66 1 43 15 14 1 44 16 15 1 45 16 67 1 46 17 18 1 47 17 16 1 48 17 68 1 49 18 69 1 50 19 17 1 51 19 70 1 52 20 19 1 53 20 71 1 54 21 16 1 55 22 21 1 56 22 72 1 57 23 22 1 58 23 24 1 59 23 73 1 60 23 74 1 61 24 75 1 62 25 19 1 63 25 22 1 64 25 76 1 65 26 25 1 66 27 26 1 67 27 77 1 68 28 27 1 69 29 30 1 70 29 32 1 71 29 28 1 72 29 78 1 73 30 79 1 74 30 80 1 75 31 30 1 76 31 81 1 77 32 34 1 78 32 82 1 79 33 32 1 80 33 83 1 81 34 35 1 82 34 36 1 83 34 84 1 84 35 85 1 85 36 27 1 86 36 86 1 87 37 36 1 88 37 87 1