@MOLECULE allyl 3,6-di-o-methyl-beta-d-glucopyranosyl-(1->4)-6-deoxy-2,3-di-o-methyl-alpha-d-mannopyranosyl-(1->2)-6-deoxy-3-o-methyl-alpha-d-mannopyranoside 86 88 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.5346 -0.7943 -0.7707 C.3 1 UNL1 0.2723 2 C 3.7032 0.7292 -0.5735 C.3 1 UNL1 0.0427 3 C 4.7525 0.9972 0.5240 C.3 1 UNL1 0.0605 4 C 4.3566 0.2336 1.8003 C.3 1 UNL1 0.0642 5 C 4.1671 -1.2702 1.4838 C.3 1 UNL1 0.0918 6 C 1.5655 1.6808 -1.0306 C.3 1 UNL1 0.2729 7 C 0.5288 2.4889 -0.2125 C.3 1 UNL1 -0.0124 8 C -0.3807 1.5424 0.6044 C.3 1 UNL1 0.0456 9 C -0.9701 0.5002 -0.3621 C.3 1 UNL1 0.0468 10 C 0.2039 -0.2898 -0.9895 C.3 1 UNL1 0.0946 11 C -2.9442 -0.7746 -0.1187 C.3 1 UNL1 0.2542 12 C -3.4234 -1.9950 0.6998 C.3 1 UNL1 0.0488 13 C -4.8725 -2.3241 0.3090 C.3 1 UNL1 0.0266 14 C -5.7616 -1.0575 0.3101 C.3 1 UNL1 0.0641 15 C -5.0970 0.1403 -0.4030 C.3 1 UNL1 0.0725 16 C -5.8143 1.4579 -0.0755 C.3 1 UNL1 -0.0641 17 C 4.7806 -2.5965 -1.6730 C.3 1 UNL1 -0.0358 18 C 3.5374 -2.0242 2.6499 C.3 1 UNL1 -0.4674 19 C 5.8580 2.9469 1.3005 C.3 1 UNL1 -0.2018 20 C -0.2558 -1.3094 -2.0227 C.3 1 UNL1 -0.4636 21 C -1.2809 2.7912 2.4013 C.3 1 UNL1 -0.2146 22 C 0.0442 4.4362 -1.4811 C.3 1 UNL1 -0.2085 23 C -5.7565 3.6082 -1.0603 C.3 1 UNL1 -0.1993 24 C -5.1640 -4.4916 1.2414 C.3 1 UNL1 -0.1909 25 H 5.2618 0.0223 3.5537 H 1 UNL1 0.3152 26 H -1.6984 -2.9236 0.4894 H 1 UNL1 0.3312 27 H -7.4093 -2.0785 -0.0568 H 1 UNL1 0.3275 28 O 5.4801 0.3427 2.6590 O.3 1 UNL1 -0.5665 29 O -2.6465 -3.1126 0.3117 O.3 1 UNL1 -0.5633 30 O -6.9284 -1.3161 -0.4448 O.3 1 UNL1 -0.5474 31 O 4.7700 -1.2206 -1.2942 O.3 1 UNL1 -0.4645 32 O 2.4802 1.2218 -0.0608 O.3 1 UNL1 -0.4285 33 O 4.6828 2.3945 0.7348 O.3 1 UNL1 -0.3659 34 O -0.3225 3.1077 -1.1592 O.3 1 UNL1 -0.3391 35 O -1.4804 2.2801 1.0964 O.3 1 UNL1 -0.3238 36 O -1.6927 -0.4430 0.4212 O.3 1 UNL1 -0.4078 37 O -5.4814 -3.1133 1.3176 O.3 1 UNL1 -0.4029 38 O -5.7565 2.2113 -1.2802 O.3 1 UNL1 -0.3714 39 C 6.2070 -2.9094 -1.9881 C.2 1 UNL1 -0.1150 40 O 3.2353 -1.4514 0.4252 O.3 1 UNL1 -0.4382 41 O 1.0185 0.6083 -1.7351 O.3 1 UNL1 -0.4408 42 O -3.7997 0.3245 0.1361 O.3 1 UNL1 -0.4186 43 C 6.5976 -4.1156 -2.3962 C.2 1 UNL1 -0.3503 44 H 2.6838 -1.0730 -1.4312 H 1 UNL1 0.1582 45 H 3.9819 1.2346 -1.5222 H 1 UNL1 0.1506 46 H 5.7669 0.6930 0.1800 H 1 UNL1 0.1501 47 H 3.4677 0.6928 2.2783 H 1 UNL1 0.1495 48 H 5.1387 -1.7190 1.1755 H 1 UNL1 0.1403 49 H 2.5809 -1.5764 2.9476 H 1 UNL1 0.1627 50 H 3.3223 -3.0636 2.3653 H 1 UNL1 0.1625 51 H 4.2009 -2.0471 3.5203 H 1 UNL1 0.1447 52 H 6.0883 2.4849 2.2673 H 1 UNL1 0.1439 53 H 6.7035 2.8451 0.6142 H 1 UNL1 0.1182 54 H 5.5908 4.0016 1.4337 H 1 UNL1 0.1371 55 H 2.0529 2.2722 -1.8360 H 1 UNL1 0.1406 56 H 1.0314 3.2221 0.4501 H 1 UNL1 0.1478 57 H 0.1897 1.0525 1.4235 H 1 UNL1 0.1457 58 H -1.6153 0.9974 -1.1185 H 1 UNL1 0.1722 59 H 0.8248 -0.7604 -0.1909 H 1 UNL1 0.1479 60 H -0.8235 -0.8319 -2.8312 H 1 UNL1 0.1621 61 H 0.6022 -1.8089 -2.4900 H 1 UNL1 0.1530 62 H -0.8865 -2.0827 -1.5675 H 1 UNL1 0.1583 63 H -2.2117 3.3401 2.5868 H 1 UNL1 0.1429 64 H -1.1734 1.9791 3.1272 H 1 UNL1 0.1257 65 H -0.4249 3.4699 2.4392 H 1 UNL1 0.1175 66 H -0.0302 5.0871 -0.6050 H 1 UNL1 0.1241 67 H 1.0451 4.4794 -1.9194 H 1 UNL1 0.1189 68 H -0.7144 4.7168 -2.2249 H 1 UNL1 0.1497 69 H -2.8834 -0.9712 -1.2099 H 1 UNL1 0.1249 70 H -3.3120 -1.8347 1.7929 H 1 UNL1 0.1573 71 H -4.9115 -2.8464 -0.6726 H 1 UNL1 0.1536 72 H -6.0598 -0.8013 1.3514 H 1 UNL1 0.1437 73 H -5.0457 -0.0205 -1.5044 H 1 UNL1 0.1604 74 H -6.8823 1.2969 0.1592 H 1 UNL1 0.1377 75 H -5.3093 1.9775 0.7607 H 1 UNL1 0.1432 76 H -6.6813 3.9273 -0.5704 H 1 UNL1 0.1153 77 H -4.8780 3.9156 -0.4824 H 1 UNL1 0.1280 78 H -5.6998 4.0163 -2.0772 H 1 UNL1 0.1422 79 H -5.6100 -4.9350 0.3449 H 1 UNL1 0.1190 80 H -4.0801 -4.6545 1.2541 H 1 UNL1 0.1477 81 H -5.6278 -4.8997 2.1477 H 1 UNL1 0.1382 82 H 4.3926 -3.2148 -0.8386 H 1 UNL1 0.1448 83 H 4.1213 -2.7149 -2.5551 H 1 UNL1 0.1327 84 H 6.8969 -2.0736 -1.8579 H 1 UNL1 0.1645 85 H 7.6219 -4.3600 -2.6291 H 1 UNL1 0.1485 86 H 5.9332 -4.9550 -2.5314 H 1 UNL1 0.1449 @BOND 1 60 20 1 2 85 43 1 3 83 17 1 4 86 43 1 5 61 20 1 6 43 39 2 7 68 22 1 8 78 23 1 9 20 62 1 10 20 10 1 11 39 84 1 12 39 17 1 13 67 22 1 14 55 6 1 15 41 6 1 16 41 10 1 17 17 31 1 18 17 82 1 19 45 2 1 20 73 15 1 21 22 34 1 22 22 66 1 23 44 1 1 24 31 1 1 25 38 23 1 26 38 16 1 27 69 11 1 28 34 7 1 29 58 9 1 30 23 76 1 31 23 77 1 32 6 7 1 33 6 32 1 34 10 9 1 35 10 59 1 36 1 2 1 37 1 40 1 38 71 13 1 39 2 32 1 40 2 3 1 41 30 27 1 42 30 14 1 43 15 16 1 44 15 42 1 45 15 14 1 46 9 36 1 47 9 8 1 48 7 56 1 49 7 8 1 50 11 42 1 51 11 36 1 52 11 12 1 53 16 74 1 54 16 75 1 55 46 3 1 56 13 14 1 57 13 12 1 58 13 37 1 59 14 72 1 60 29 26 1 61 29 12 1 62 79 24 1 63 40 5 1 64 3 33 1 65 3 4 1 66 8 35 1 67 8 57 1 68 53 19 1 69 12 70 1 70 33 19 1 71 35 21 1 72 48 5 1 73 24 80 1 74 24 37 1 75 24 81 1 76 19 54 1 77 19 52 1 78 5 4 1 79 5 18 1 80 4 47 1 81 4 28 1 82 50 18 1 83 21 65 1 84 21 63 1 85 21 64 1 86 18 49 1 87 18 51 1 88 28 25 1