@MOLECULE nonyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside 72 73 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.1217 -2.2665 0.6325 C.3 1 UNL1111111111 0.0309 2 O -4.6263 0.1801 1.3812 O.3 1 UNL1111111111 -0.4474 3 C -1.6352 -2.1058 0.4108 C.3 1 UNL1111111111 0.0809 4 O -6.0455 2.8316 -0.5941 O.3 1 UNL1111111111 -0.5491 5 C -2.0353 -0.6252 0.2627 C.3 1 UNL1111111111 0.0577 6 O -5.3044 -1.8071 -1.6083 O.3 1 UNL1111111111 -0.5369 7 C -1.0985 0.0948 -0.7337 C.3 1 UNL1111111111 0.0448 8 O -7.0989 0.4827 -1.8533 O.3 1 UNL1111111111 -0.5686 9 C -5.5854 -0.9003 -0.5731 C.3 1 UNL1111111111 0.0265 10 O 0.2438 -0.0717 -0.3178 O.3 1 UNL1111111111 -0.4652 11 C 0.6879 -1.4208 -0.3737 C.3 1 UNL1111111111 0.2706 12 O -3.7841 2.4380 2.8422 O.3 1 UNL1111111111 -0.5390 13 C -5.8602 0.4886 -1.1733 C.3 1 UNL1111111111 0.0489 14 O -3.2975 -0.5405 -0.3759 O.3 1 UNL1111111111 -0.4839 15 C -6.0344 1.5298 -0.0509 C.3 1 UNL1111111111 0.0756 16 C -4.8001 1.4963 0.8695 C.3 1 UNL1111111111 0.0421 17 C -4.4162 -0.8253 0.4378 C.3 1 UNL1111111111 0.2835 18 C -4.9985 2.3480 2.1291 C.3 1 UNL1111111111 -0.0156 19 O 1.9898 -1.4473 0.1323 O.3 1 UNL1111111111 -0.4302 20 C 2.8964 -0.5491 -0.5127 C.3 1 UNL1111111111 -0.0167 21 C 4.2517 -0.9190 0.0920 C.3 1 UNL1111111111 -0.2993 22 C 5.3454 0.0076 -0.4462 C.3 1 UNL1111111111 -0.2674 23 C 6.6956 -0.3397 0.1942 C.3 1 UNL1111111111 -0.2687 24 C 7.8067 0.5686 -0.3463 C.3 1 UNL1111111111 -0.2719 25 C 9.1488 0.2296 0.3150 C.3 1 UNL1111111111 -0.2758 26 C 10.2699 1.1069 -0.2554 C.3 1 UNL1111111111 -0.2725 27 O 0.1216 -3.6355 0.3856 O.3 1 UNL1111111111 -0.5600 28 O -2.3087 -2.5506 1.5718 O.3 1 UNL1111111111 -0.5632 29 C -1.2954 1.6185 -0.7107 C.3 1 UNL1111111111 -0.0137 30 O -0.5921 2.1931 -1.7882 O.3 1 UNL1111111111 -0.5308 31 C 11.6142 0.7733 0.4053 C.3 1 UNL1111111111 -0.2508 32 C 12.7378 1.6217 -0.1903 C.3 1 UNL1111111111 -0.4396 33 H 0.1673 -2.0240 1.6812 H 1 UNL1111111111 0.1647 34 H -1.9863 -2.7185 -0.4512 H 1 UNL1111111111 0.1528 35 H -6.6930 2.8724 -1.3351 H 1 UNL1111111111 0.3393 36 H -2.0729 -0.1238 1.2547 H 1 UNL1111111111 0.1656 37 H -4.3754 -1.6952 -1.9168 H 1 UNL1111111111 0.3331 38 H -1.2268 -0.3021 -1.7662 H 1 UNL1111111111 0.1486 39 H -7.1518 -0.3017 -2.4436 H 1 UNL1111111111 0.3395 40 H -6.4982 -1.3265 -0.0952 H 1 UNL1111111111 0.1695 41 H 0.6579 -1.7860 -1.4197 H 1 UNL1111111111 0.1236 42 H -3.4318 1.5365 3.0051 H 1 UNL1111111111 0.3215 43 H -5.0707 0.7919 -1.8975 H 1 UNL1111111111 0.1523 44 H -6.9865 1.3703 0.5009 H 1 UNL1111111111 0.1451 45 H -3.8808 1.8013 0.3206 H 1 UNL1111111111 0.1573 46 H -4.2700 -1.7377 1.0590 H 1 UNL1111111111 0.1785 47 H -5.7762 1.9328 2.7940 H 1 UNL1111111111 0.1286 48 H -5.2372 3.3984 1.8685 H 1 UNL1111111111 0.1647 49 H 2.8618 -0.7053 -1.6031 H 1 UNL1111111111 0.1169 50 H 2.5970 0.4855 -0.2698 H 1 UNL1111111111 0.1347 51 H 4.1947 -0.8547 1.1970 H 1 UNL1111111111 0.1563 52 H 4.4900 -1.9765 -0.1304 H 1 UNL1111111111 0.1496 53 H 5.4148 -0.0793 -1.5469 H 1 UNL1111111111 0.1379 54 H 5.0904 1.0642 -0.2379 H 1 UNL1111111111 0.1404 55 H 6.6289 -0.2413 1.2942 H 1 UNL1111111111 0.1393 56 H 6.9461 -1.3994 -0.0007 H 1 UNL1111111111 0.1373 57 H 7.8869 0.4586 -1.4437 H 1 UNL1111111111 0.1362 58 H 7.5534 1.6299 -0.1653 H 1 UNL1111111111 0.1376 59 H 9.0779 0.3689 1.4097 H 1 UNL1111111111 0.1373 60 H 9.3893 -0.8387 0.1599 H 1 UNL1111111111 0.1366 61 H 10.3427 0.9651 -1.3496 H 1 UNL1111111111 0.1365 62 H 10.0307 2.1758 -0.1043 H 1 UNL1111111111 0.1369 63 H 1.0799 -3.8311 0.4808 H 1 UNL1111111111 0.3375 64 H -2.0263 -3.4669 1.7913 H 1 UNL1111111111 0.3390 65 H -2.3501 1.8955 -0.9095 H 1 UNL1111111111 0.1591 66 H -0.9545 2.0669 0.2402 H 1 UNL1111111111 0.1385 67 H 0.3652 1.9965 -1.7023 H 1 UNL1111111111 0.3191 68 H 11.5510 0.9412 1.4970 H 1 UNL1111111111 0.1339 69 H 11.8434 -0.3013 0.2767 H 1 UNL1111111111 0.1337 70 H 12.8514 1.4384 -1.2646 H 1 UNL1111111111 0.1423 71 H 12.5452 2.6921 -0.0572 H 1 UNL1111111111 0.1427 72 H 13.6991 1.3985 0.2854 H 1 UNL1111111111 0.1407 @BOND 1 1 3 1 2 1 33 1 3 2 16 1 4 3 5 1 5 3 28 1 6 3 34 1 7 4 35 1 8 5 14 1 9 5 36 1 10 6 37 1 11 7 5 1 12 7 29 1 13 7 38 1 14 8 39 1 15 9 6 1 16 9 13 1 17 9 40 1 18 10 7 1 19 11 1 1 20 11 10 1 21 11 41 1 22 12 18 1 23 12 42 1 24 13 8 1 25 13 43 1 26 14 17 1 27 15 4 1 28 15 13 1 29 15 44 1 30 16 15 1 31 16 18 1 32 16 45 1 33 17 2 1 34 17 9 1 35 17 46 1 36 18 47 1 37 18 48 1 38 19 11 1 39 20 19 1 40 20 49 1 41 20 50 1 42 21 20 1 43 21 51 1 44 21 52 1 45 22 21 1 46 22 53 1 47 22 54 1 48 23 22 1 49 23 55 1 50 23 56 1 51 24 23 1 52 24 57 1 53 24 58 1 54 25 24 1 55 25 59 1 56 25 60 1 57 26 25 1 58 26 31 1 59 26 61 1 60 26 62 1 61 27 1 1 62 27 63 1 63 28 64 1 64 29 65 1 65 29 66 1 66 30 29 1 67 30 67 1 68 31 32 1 69 31 68 1 70 31 69 1 71 32 72 1 72 32 70 1 73 32 71 1