@MOLECULE dodecyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside 81 82 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.7389 0.6820 0.3743 C.3 1 UNL1111111111 0.2850 2 C 6.8948 0.5895 -0.6507 C.3 1 UNL1111111111 0.0267 3 C 7.0293 -0.8513 -1.1710 C.3 1 UNL1111111111 0.0488 4 C 7.1175 -1.8432 0.0051 C.3 1 UNL1111111111 0.0759 5 C 5.9136 -1.6348 0.9421 C.3 1 UNL1111111111 0.0419 6 C 6.0550 -2.4225 2.2505 C.3 1 UNL1111111111 -0.0153 7 O 4.5886 0.4516 -0.4112 O.3 1 UNL1111111111 -0.4856 8 O 6.6849 1.4585 -1.7339 O.3 1 UNL1111111111 -0.5369 9 O 8.2546 -1.0039 -1.8586 O.3 1 UNL1111111111 -0.5688 10 O 6.9823 -3.1657 -0.4672 O.3 1 UNL1111111111 -0.5497 11 O 5.8764 -0.2799 1.3745 O.3 1 UNL1111111111 -0.4466 12 O 4.8554 -2.3371 2.9888 O.3 1 UNL1111111111 -0.5395 13 C 0.6790 1.6189 -0.3639 C.3 1 UNL1111111111 0.2713 14 C 1.5554 2.4026 0.6360 C.3 1 UNL1111111111 0.0306 15 C 3.0517 2.1363 0.3946 C.3 1 UNL1111111111 0.0800 16 C 3.3451 0.6313 0.2436 C.3 1 UNL1111111111 0.0584 17 C 2.3485 -0.0214 -0.7411 C.3 1 UNL1111111111 0.0452 18 C 2.4381 -1.5550 -0.7173 C.3 1 UNL1111111111 -0.0143 19 O -0.6189 1.7370 0.1422 O.3 1 UNL1111111111 -0.4321 20 O 1.4054 3.7862 0.3955 O.3 1 UNL1111111111 -0.5597 21 O 3.7711 2.5325 1.5458 O.3 1 UNL1111111111 -0.5622 22 O 1.0257 0.2416 -0.3135 O.3 1 UNL1111111111 -0.4659 23 O 1.7384 -2.0781 -1.8227 O.3 1 UNL1111111111 -0.5311 24 C -1.5621 0.8383 -0.4480 C.3 1 UNL1111111111 -0.0147 25 C -2.9192 1.3787 0.0056 C.3 1 UNL1111111111 -0.3004 26 C -4.0293 0.4084 -0.4084 C.3 1 UNL1111111111 -0.2677 27 C -5.4005 0.9312 0.0385 C.3 1 UNL1111111111 -0.2694 28 C -6.5025 -0.0711 -0.3273 C.3 1 UNL1111111111 -0.2723 29 C -7.8792 0.4501 0.1042 C.3 1 UNL1111111111 -0.2741 30 C -8.9711 -0.5698 -0.2428 C.3 1 UNL1111111111 -0.2720 31 C -10.3557 -0.0514 0.1658 C.3 1 UNL1111111111 -0.2721 32 C -11.4378 -1.0836 -0.1763 C.3 1 UNL1111111111 -0.2747 33 C -12.8270 -0.5677 0.2185 C.3 1 UNL1111111111 -0.2721 34 C -13.9081 -1.6020 -0.1226 C.3 1 UNL1111111111 -0.2509 35 C -15.2955 -1.0893 0.2639 C.3 1 UNL1111111111 -0.4397 36 H 5.6816 1.6395 0.9393 H 1 UNL1111111111 0.1777 37 H 7.8501 0.9544 -0.2066 H 1 UNL1111111111 0.1696 38 H 6.2063 -1.1171 -1.8722 H 1 UNL1111111111 0.1524 39 H 8.0938 -1.7553 0.5303 H 1 UNL1111111111 0.1454 40 H 4.9574 -1.8828 0.4286 H 1 UNL1111111111 0.1570 41 H 6.1751 -3.5065 2.0535 H 1 UNL1111111111 0.1643 42 H 6.8888 -2.0517 2.8723 H 1 UNL1111111111 0.1285 43 H 5.7486 1.4082 -2.0363 H 1 UNL1111111111 0.3333 44 H 8.3781 -0.2608 -2.4903 H 1 UNL1111111111 0.3394 45 H 7.6083 -3.3137 -1.2128 H 1 UNL1111111111 0.3393 46 H 4.6101 -1.3937 3.1090 H 1 UNL1111111111 0.3225 47 H 0.7274 1.9838 -1.4097 H 1 UNL1111111111 0.1239 48 H 1.2624 2.1775 1.6874 H 1 UNL1111111111 0.1644 49 H 3.4330 2.7226 -0.4730 H 1 UNL1111111111 0.1531 50 H 3.3595 0.1293 1.2363 H 1 UNL1111111111 0.1660 51 H 2.4951 0.3642 -1.7758 H 1 UNL1111111111 0.1491 52 H 3.4774 -1.9049 -0.8790 H 1 UNL1111111111 0.1597 53 H 2.0324 -1.9798 0.2189 H 1 UNL1111111111 0.1390 54 H 0.4636 4.0471 0.5011 H 1 UNL1111111111 0.3377 55 H 3.5536 3.4651 1.7708 H 1 UNL1111111111 0.3386 56 H 0.7914 -1.8291 -1.7658 H 1 UNL1111111111 0.3184 57 H -1.3599 -0.1734 -0.0531 H 1 UNL1111111111 0.1353 58 H -1.4523 0.8407 -1.5446 H 1 UNL1111111111 0.1174 59 H -3.0939 2.3831 -0.4230 H 1 UNL1111111111 0.1488 60 H -2.9150 1.5220 1.1046 H 1 UNL1111111111 0.1565 61 H -3.8463 -0.5898 0.0344 H 1 UNL1111111111 0.1406 62 H -4.0213 0.2626 -1.5051 H 1 UNL1111111111 0.1376 63 H -5.6067 1.9108 -0.4315 H 1 UNL1111111111 0.1372 64 H -5.4008 1.1124 1.1297 H 1 UNL1111111111 0.1392 65 H -6.3011 -1.0474 0.1526 H 1 UNL1111111111 0.1376 66 H -6.4958 -0.2614 -1.4168 H 1 UNL1111111111 0.1362 67 H -8.0914 1.4166 -0.3892 H 1 UNL1111111111 0.1367 68 H -7.8847 0.6561 1.1907 H 1 UNL1111111111 0.1374 69 H -8.7633 -1.5313 0.2629 H 1 UNL1111111111 0.1368 70 H -8.9549 -0.7874 -1.3271 H 1 UNL1111111111 0.1363 71 H -10.5695 0.9054 -0.3457 H 1 UNL1111111111 0.1365 72 H -10.3736 0.1722 1.2487 H 1 UNL1111111111 0.1368 73 H -11.2267 -2.0374 0.3419 H 1 UNL1111111111 0.1365 74 H -11.4132 -1.3135 -1.2578 H 1 UNL1111111111 0.1363 75 H -13.0393 0.3855 -0.3002 H 1 UNL1111111111 0.1365 76 H -12.8536 -0.3364 1.2995 H 1 UNL1111111111 0.1366 77 H -13.6981 -2.5544 0.3997 H 1 UNL1111111111 0.1337 78 H -13.8799 -1.8364 -1.2034 H 1 UNL1111111111 0.1335 79 H -16.0703 -1.8285 0.0323 H 1 UNL1111111111 0.1403 80 H -15.3580 -0.8714 1.3358 H 1 UNL1111111111 0.1424 81 H -15.5473 -0.1693 -0.2749 H 1 UNL1111111111 0.1422 @BOND 1 1 2 1 2 1 7 1 3 1 11 1 4 1 36 1 5 2 3 1 6 2 8 1 7 2 37 1 8 3 4 1 9 3 9 1 10 3 38 1 11 4 5 1 12 4 10 1 13 4 39 1 14 5 6 1 15 5 11 1 16 5 40 1 17 6 12 1 18 6 41 1 19 6 42 1 20 7 16 1 21 8 43 1 22 9 44 1 23 10 45 1 24 12 46 1 25 13 14 1 26 13 19 1 27 13 22 1 28 13 47 1 29 14 15 1 30 14 20 1 31 14 48 1 32 15 16 1 33 15 21 1 34 15 49 1 35 16 17 1 36 16 50 1 37 17 18 1 38 17 22 1 39 17 51 1 40 18 23 1 41 18 52 1 42 18 53 1 43 19 24 1 44 20 54 1 45 21 55 1 46 23 56 1 47 24 25 1 48 24 57 1 49 24 58 1 50 25 26 1 51 25 59 1 52 25 60 1 53 26 27 1 54 26 61 1 55 26 62 1 56 27 28 1 57 27 63 1 58 27 64 1 59 28 29 1 60 28 65 1 61 28 66 1 62 29 30 1 63 29 67 1 64 29 68 1 65 30 31 1 66 30 69 1 67 30 70 1 68 31 32 1 69 31 71 1 70 31 72 1 71 32 33 1 72 32 73 1 73 32 74 1 74 33 34 1 75 33 75 1 76 33 76 1 77 34 35 1 78 34 77 1 79 34 78 1 80 35 79 1 81 35 80 1 82 35 81 1