@MOLECULE undecyl-beta-d-maltoside 78 79 0 0 0 SMALL GASTEIGER @ATOM 1 C -6.4452 -0.6648 -0.6371 C.3 1 UNL1111111111 0.0267 2 C -6.7180 1.7725 -0.0338 C.3 1 UNL1111111111 0.0756 3 C -5.5152 1.6102 0.9144 C.3 1 UNL1111111111 0.0423 4 C -5.6835 2.4219 2.2049 C.3 1 UNL1111111111 -0.0155 5 O -6.2162 -1.5560 -1.6981 O.3 1 UNL1111111111 -0.5369 6 O -6.6107 3.0890 -0.5292 O.3 1 UNL1111111111 -0.5493 7 C -5.2907 -0.7132 0.3925 C.3 1 UNL1111111111 0.2847 8 C -6.5981 0.7616 -1.1909 C.3 1 UNL1111111111 0.0492 9 O -4.1455 -0.4740 -0.3985 O.3 1 UNL1111111111 -0.4861 10 O -7.8166 0.8783 -1.8971 O.3 1 UNL1111111111 -0.5686 11 O -5.4487 0.2652 1.3733 O.3 1 UNL1111111111 -0.4466 12 O -4.4836 2.3913 2.9469 O.3 1 UNL1111111111 -0.5392 13 C -0.2246 -1.5902 -0.3709 C.3 1 UNL1111111111 0.2720 14 C -1.0867 -2.3910 0.6281 C.3 1 UNL1111111111 0.0304 15 C -2.5869 -2.1376 0.3999 C.3 1 UNL1111111111 0.0801 16 C -2.8984 -0.6359 0.2535 C.3 1 UNL1111111111 0.0582 17 C -1.9124 0.0336 -0.7305 C.3 1 UNL1111111111 0.0450 18 C -2.0185 1.5660 -0.6967 C.3 1 UNL1111111111 -0.0144 19 O 1.0768 -1.6988 0.1272 O.3 1 UNL1111111111 -0.4332 20 O -3.2930 -2.5424 1.5565 O.3 1 UNL1111111111 -0.5626 21 O -0.5859 -0.2172 -0.3072 O.3 1 UNL1111111111 -0.4662 22 O -1.2719 2.1083 -1.7617 O.3 1 UNL1111111111 -0.5305 23 O -0.9256 -3.7712 0.3749 O.3 1 UNL1111111111 -0.5596 24 C 2.0049 -0.7722 -0.4432 C.3 1 UNL1111111111 -0.0141 25 C 3.3682 -1.2996 0.0068 C.3 1 UNL1111111111 -0.3004 26 C 4.4658 -0.3021 -0.3733 C.3 1 UNL1111111111 -0.2675 27 C 5.8402 -0.8159 0.0748 C.3 1 UNL1111111111 -0.2695 28 C 6.9319 0.2038 -0.2723 C.3 1 UNL1111111111 -0.2725 29 C 8.3125 -0.3016 0.1643 C.3 1 UNL1111111111 -0.2730 30 C 9.3938 0.7285 -0.1863 C.3 1 UNL1111111111 -0.2724 31 C 10.7819 0.2218 0.2234 C.3 1 UNL1111111111 -0.2746 32 C 11.8595 1.2531 -0.1340 C.3 1 UNL1111111111 -0.2721 33 C 13.2514 0.7436 0.2623 C.3 1 UNL1111111111 -0.2510 34 C 14.3293 1.7655 -0.0990 C.3 1 UNL1111111111 -0.4397 35 H -7.3962 -1.0344 -0.1887 H 1 UNL1111111111 0.1695 36 H -7.6950 1.6708 0.4872 H 1 UNL1111111111 0.1450 37 H -4.5617 1.8699 0.4018 H 1 UNL1111111111 0.1573 38 H -5.8360 3.4974 1.9837 H 1 UNL1111111111 0.1647 39 H -6.5072 2.0398 2.8332 H 1 UNL1111111111 0.1283 40 H -5.2766 -1.5049 -1.9905 H 1 UNL1111111111 0.3331 41 H -7.2367 3.2091 -1.2798 H 1 UNL1111111111 0.3393 42 H -5.2143 -1.6574 0.9770 H 1 UNL1111111111 0.1779 43 H -5.7704 1.0280 -1.8864 H 1 UNL1111111111 0.1524 44 H -7.9152 0.1238 -2.5197 H 1 UNL1111111111 0.3395 45 H -4.2135 1.4595 3.0975 H 1 UNL1111111111 0.3219 46 H -0.2755 -1.9473 -1.4194 H 1 UNL1111111111 0.1242 47 H -0.7882 -2.1719 1.6793 H 1 UNL1111111111 0.1645 48 H -2.9700 -2.7263 -0.4657 H 1 UNL1111111111 0.1531 49 H -2.9187 -0.1370 1.2477 H 1 UNL1111111111 0.1662 50 H -2.0568 -0.3473 -1.7671 H 1 UNL1111111111 0.1487 51 H -3.0531 1.9056 -0.9038 H 1 UNL1111111111 0.1593 52 H -1.6610 1.9857 0.2613 H 1 UNL1111111111 0.1387 53 H -3.0650 -3.4733 1.7784 H 1 UNL1111111111 0.3387 54 H -0.3316 1.8401 -1.6776 H 1 UNL1111111111 0.3190 55 H 0.0194 -4.0240 0.4714 H 1 UNL1111111111 0.3376 56 H 1.7842 0.2288 -0.0308 H 1 UNL1111111111 0.1351 57 H 1.8985 -0.7564 -1.5399 H 1 UNL1111111111 0.1176 58 H 3.5628 -2.2902 -0.4450 H 1 UNL1111111111 0.1488 59 H 3.3581 -1.4703 1.1020 H 1 UNL1111111111 0.1565 60 H 4.2635 0.6824 0.0912 H 1 UNL1111111111 0.1406 61 H 4.4659 -0.1305 -1.4664 H 1 UNL1111111111 0.1378 62 H 6.0593 -1.7865 -0.4073 H 1 UNL1111111111 0.1372 63 H 5.8370 -1.0117 1.1635 H 1 UNL1111111111 0.1391 64 H 6.7137 1.1724 0.2155 H 1 UNL1111111111 0.1376 65 H 6.9305 0.4047 -1.3600 H 1 UNL1111111111 0.1363 66 H 8.5362 -1.2681 -0.3243 H 1 UNL1111111111 0.1366 67 H 8.3181 -0.5024 1.2518 H 1 UNL1111111111 0.1373 68 H 9.1780 1.6896 0.3168 H 1 UNL1111111111 0.1369 69 H 9.3752 0.9428 -1.2712 H 1 UNL1111111111 0.1365 70 H 10.9976 -0.7401 -0.2777 H 1 UNL1111111111 0.1364 71 H 10.8040 0.0106 1.3086 H 1 UNL1111111111 0.1367 72 H 11.6496 2.2133 0.3727 H 1 UNL1111111111 0.1367 73 H 11.8320 1.4710 -1.2179 H 1 UNL1111111111 0.1365 74 H 13.4594 -0.2191 -0.2417 H 1 UNL1111111111 0.1335 75 H 13.2813 0.5301 1.3474 H 1 UNL1111111111 0.1337 76 H 15.3262 1.4059 0.1785 H 1 UNL1111111111 0.1403 77 H 14.3413 1.9718 -1.1749 H 1 UNL1111111111 0.1423 78 H 14.1672 2.7181 0.4175 H 1 UNL1111111111 0.1425 @BOND 1 1 5 1 2 1 7 1 3 1 8 1 4 1 35 1 5 2 3 1 6 2 6 1 7 2 8 1 8 2 36 1 9 3 4 1 10 3 11 1 11 3 37 1 12 4 12 1 13 4 38 1 14 4 39 1 15 5 40 1 16 6 41 1 17 7 9 1 18 7 11 1 19 7 42 1 20 8 10 1 21 8 43 1 22 9 16 1 23 10 44 1 24 12 45 1 25 13 14 1 26 13 19 1 27 13 21 1 28 13 46 1 29 14 15 1 30 14 23 1 31 14 47 1 32 15 16 1 33 15 20 1 34 15 48 1 35 16 17 1 36 16 49 1 37 17 18 1 38 17 21 1 39 17 50 1 40 18 22 1 41 18 51 1 42 18 52 1 43 19 24 1 44 20 53 1 45 22 54 1 46 23 55 1 47 24 25 1 48 24 56 1 49 24 57 1 50 25 26 1 51 25 58 1 52 25 59 1 53 26 27 1 54 26 60 1 55 26 61 1 56 27 28 1 57 27 62 1 58 27 63 1 59 28 29 1 60 28 64 1 61 28 65 1 62 29 30 1 63 29 66 1 64 29 67 1 65 30 31 1 66 30 68 1 67 30 69 1 68 31 32 1 69 31 70 1 70 31 71 1 71 32 33 1 72 32 72 1 73 32 73 1 74 33 34 1 75 33 74 1 76 33 75 1 77 34 76 1 78 34 77 1 79 34 78 1