@MOLECULE 2-acetamido-2-deoxy-beta-d-glucopyranosyl-(1->2)-alpha-d-mannopyranosyl-(1->3)-[alpha-d-mannopyranosyl-(1->3)-[alpha-d-mannopyranosyl-(1->6)]-alpha-d-mannopyranosyl-(1->6)]-beta-d-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-d-glucopyranose 162 168 0 0 0 SMALL GASTEIGER @ATOM 1 O 6.3162 1.6669 -2.6871 O.2 1 UNL1111111111 -0.6076 2 C 5.9037 1.3102 -3.7832 C.2 1 UNL1111111111 0.6410 3 C 6.7933 0.7429 -4.8465 C.3 1 UNL1111111111 -0.5299 4 N 4.5779 1.4684 -4.1182 N.am 1 UNL1111111111 -0.5694 5 C 3.6423 2.0497 -3.1716 C.3 1 UNL1111111111 -0.0457 6 C 2.3496 1.2012 -3.0314 C.3 1 UNL1111111111 0.1202 7 O 2.6383 -0.0974 -2.6371 O.3 1 UNL1111111111 -0.5470 8 C 3.2391 3.4669 -3.6530 C.3 1 UNL1111111111 0.3405 9 O 2.6057 3.2860 -4.8868 O.3 1 UNL1111111111 -0.5963 10 O 2.3811 4.0565 -2.7172 O.3 1 UNL1111111111 -0.4852 11 C 1.1672 3.3599 -2.4608 C.3 1 UNL1111111111 0.0348 12 C 0.5019 4.2280 -1.3805 C.3 1 UNL1111111111 -0.0193 13 O 0.1564 5.4806 -1.9263 O.3 1 UNL1111111111 -0.5378 14 C 1.4522 1.9163 -1.9861 C.3 1 UNL1111111111 0.0029 15 O 0.1972 1.2519 -2.0360 O.3 1 UNL1111111111 -0.3558 16 C -0.3756 0.9904 -0.7849 C.3 1 UNL1111111111 0.2212 17 C -1.7965 0.4605 -1.1093 C.3 1 UNL1111111111 0.0523 18 O -1.7298 -0.5896 -2.0354 O.3 1 UNL1111111111 -0.5311 19 C -2.4068 -0.0214 0.2282 C.3 1 UNL1111111111 0.0114 20 O -3.6419 -0.6858 0.0554 O.3 1 UNL1111111111 -0.4352 21 C -4.7586 0.1645 -0.0953 C.3 1 UNL1111111111 0.2724 22 O -4.7390 0.7991 -1.3348 O.3 1 UNL1111111111 -0.4376 23 C -4.7820 -0.0857 -2.4489 C.3 1 UNL1111111111 -0.0009 24 C -4.6252 0.8355 -3.6645 C.3 1 UNL1111111111 -0.0287 25 O -3.6182 0.3292 -4.5135 O.3 1 UNL1111111111 -0.5559 26 C -6.0956 -0.8883 -2.4467 C.3 1 UNL1111111111 0.0475 27 O -6.0545 -1.8516 -3.4785 O.3 1 UNL1111111111 -0.5296 28 C -6.1922 -1.7007 -1.1367 C.3 1 UNL1111111111 0.1238 29 O -7.4382 -2.3233 -1.0050 O.3 1 UNL1111111111 -0.5125 30 C -5.9756 -0.7662 0.0824 C.3 1 UNL1111111111 -0.0325 31 O -7.1267 0.0678 0.0528 O.3 1 UNL1111111111 -0.3454 32 C -7.4708 0.6840 1.2570 C.3 1 UNL1111111111 0.2671 33 O -7.9353 -0.3581 2.1037 O.3 1 UNL1111111111 -0.4601 34 C -8.4798 0.0793 3.3333 C.3 1 UNL1111111111 0.0186 35 C -8.8893 -1.2418 4.0076 C.3 1 UNL1111111111 -0.0205 36 O -7.7649 -1.8154 4.6341 O.3 1 UNL1111111111 -0.5314 37 C -9.6879 0.9993 3.0757 C.3 1 UNL1111111111 0.0382 38 O -10.0445 1.6634 4.2723 O.3 1 UNL1111111111 -0.5605 39 C -9.3048 2.1625 2.1345 C.3 1 UNL1111111111 0.0894 40 O -10.4724 2.8220 1.6969 O.3 1 UNL1111111111 -0.5359 41 C -8.6485 1.6192 0.8505 C.3 1 UNL1111111111 0.0097 42 N -8.1138 2.6955 0.0278 N.am 1 UNL1111111111 -0.6199 43 C -8.1105 2.5561 -1.3573 C.2 1 UNL1111111111 0.6291 44 O -8.5146 1.5429 -1.8821 O.2 1 UNL1111111111 -0.5171 45 C -7.5387 3.7232 -2.1121 C.3 1 UNL1111111111 -0.5271 46 O 0.3913 -0.0630 -0.2115 O.3 1 UNL1111111111 -0.4226 47 C -0.0996 -0.4674 1.0594 C.3 1 UNL1111111111 0.0556 48 C -1.4966 -1.0922 0.8652 C.3 1 UNL1111111111 0.0743 49 O -1.9500 -1.3946 2.1659 O.3 1 UNL1111111111 -0.5527 50 C 0.9204 -1.4856 1.5755 C.3 1 UNL1111111111 -0.0227 51 O 1.9814 -0.6493 2.0120 O.3 1 UNL1111111111 -0.4874 52 C 3.1929 -1.2829 2.3322 C.3 1 UNL1111111111 0.2940 53 C 4.1500 -0.0672 2.4875 C.3 1 UNL1111111111 0.0471 54 O 5.3208 -0.5847 3.0675 O.3 1 UNL1111111111 -0.5210 55 C 4.4598 0.5278 1.1027 C.3 1 UNL1111111111 0.0484 56 O 5.5821 1.3877 1.1452 O.3 1 UNL1111111111 -0.4419 57 C 5.3299 2.7283 1.4818 C.3 1 UNL1111111111 0.2837 58 C 6.6504 3.4380 1.0778 C.3 1 UNL1111111111 0.0261 59 O 6.3761 4.8232 0.9902 O.3 1 UNL1111111111 -0.5524 60 C 7.7477 3.3002 2.1493 C.3 1 UNL1111111111 0.0763 61 O 8.7834 4.2244 1.9386 O.3 1 UNL1111111111 -0.5431 62 C 7.1629 3.5097 3.5596 C.3 1 UNL1111111111 0.0550 63 O 8.1170 3.1939 4.5479 O.3 1 UNL1111111111 -0.5557 64 C 6.0229 2.4935 3.7448 C.3 1 UNL1111111111 0.0395 65 C 5.3838 2.5812 5.1310 C.3 1 UNL1111111111 -0.0169 66 O 4.5191 1.4780 5.3149 O.3 1 UNL1111111111 -0.5557 67 O 4.9892 2.8448 2.8325 O.3 1 UNL1111111111 -0.4516 68 C 4.8996 -0.5718 0.1223 C.3 1 UNL1111111111 0.1123 69 O 4.9028 -0.0671 -1.1904 O.3 1 UNL1111111111 -0.6497 70 C 3.8135 -1.6674 0.0674 C.3 1 UNL1111111111 0.0556 71 O 3.6028 -2.1991 1.3651 O.3 1 UNL1111111111 -0.4228 72 C 4.2995 -2.8433 -0.7773 C.3 1 UNL1111111111 -0.0520 73 O 3.1025 -3.5441 -1.1160 O.3 1 UNL1111111111 -0.4334 74 C 3.3302 -4.8042 -1.6739 C.3 1 UNL1111111111 0.2613 75 C 1.9194 -5.3755 -1.9418 C.3 1 UNL1111111111 0.0353 76 O 2.0436 -6.5921 -2.6388 O.3 1 UNL1111111111 -0.5454 77 C 1.1906 -5.6286 -0.6101 C.3 1 UNL1111111111 0.0564 78 O -0.0005 -6.3447 -0.8193 O.3 1 UNL1111111111 -0.5520 79 C 2.0793 -6.4330 0.3643 C.3 1 UNL1111111111 0.0465 80 O 1.5138 -6.4111 1.6577 O.3 1 UNL1111111111 -0.5534 81 C 3.4422 -5.7275 0.5079 C.3 1 UNL1111111111 0.0370 82 O 4.0232 -5.6497 -0.7894 O.3 1 UNL1111111111 -0.4536 83 C 4.4478 -6.5128 1.3497 C.3 1 UNL1111111111 -0.0216 84 O 5.3763 -5.6576 1.9804 O.3 1 UNL1111111111 -0.5441 85 H 6.6337 -0.3404 -4.9629 H 1 UNL1111111111 0.1853 86 H 6.6477 1.2166 -5.8262 H 1 UNL1111111111 0.1763 87 H 7.8534 0.8822 -4.5722 H 1 UNL1111111111 0.1928 88 H 4.1952 1.1610 -5.0017 H 1 UNL1111111111 0.3292 89 H 4.1344 2.1460 -2.1604 H 1 UNL1111111111 0.1875 90 H 1.8083 1.0656 -3.9975 H 1 UNL1111111111 0.1728 91 H 3.4107 -0.1402 -2.0207 H 1 UNL1111111111 0.3527 92 H 4.0720 4.1954 -3.7411 H 1 UNL1111111111 0.1436 93 H 2.0758 4.0637 -5.1496 H 1 UNL1111111111 0.3452 94 H 0.5547 3.3490 -3.3918 H 1 UNL1111111111 0.1577 95 H -0.4682 3.8109 -1.0619 H 1 UNL1111111111 0.1450 96 H 1.1656 4.3828 -0.5081 H 1 UNL1111111111 0.1308 97 H 0.9541 5.9085 -2.3075 H 1 UNL1111111111 0.3249 98 H 1.9078 1.8675 -0.9780 H 1 UNL1111111111 0.1495 99 H -0.3565 1.8736 -0.1163 H 1 UNL1111111111 0.1110 100 H -2.4359 1.2268 -1.6038 H 1 UNL1111111111 0.1718 101 H -0.8490 -1.0384 -1.9785 H 1 UNL1111111111 0.3491 102 H -2.5475 0.8390 0.9218 H 1 UNL1111111111 0.1290 103 H -4.7343 1.0183 0.6162 H 1 UNL1111111111 0.1271 104 H -3.9140 -0.7938 -2.3753 H 1 UNL1111111111 0.1812 105 H -5.5199 0.8638 -4.3136 H 1 UNL1111111111 0.1535 106 H -4.3672 1.8679 -3.3606 H 1 UNL1111111111 0.1332 107 H -2.7952 0.1603 -3.9960 H 1 UNL1111111111 0.3361 108 H -6.9996 -0.2564 -2.6035 H 1 UNL1111111111 0.1696 109 H -5.5300 -1.5196 -4.2425 H 1 UNL1111111111 0.3223 110 H -5.4741 -2.5539 -1.1397 H 1 UNL1111111111 0.1730 111 H -8.1417 -1.6386 -0.8888 H 1 UNL1111111111 0.3307 112 H -5.9207 -1.3540 1.0202 H 1 UNL1111111111 0.1577 113 H -6.6175 1.1976 1.7364 H 1 UNL1111111111 0.1074 114 H -7.6975 0.6031 3.9278 H 1 UNL1111111111 0.1498 115 H -9.6003 -1.0902 4.8376 H 1 UNL1111111111 0.1386 116 H -9.3106 -1.9568 3.2732 H 1 UNL1111111111 0.1478 117 H -7.0832 -2.0209 3.9564 H 1 UNL1111111111 0.3239 118 H -10.5683 0.4450 2.6834 H 1 UNL1111111111 0.1526 119 H -10.3443 1.0307 4.9559 H 1 UNL1111111111 0.3280 120 H -8.6661 2.9042 2.6662 H 1 UNL1111111111 0.1366 121 H -11.0158 3.0835 2.4747 H 1 UNL1111111111 0.3324 122 H -9.4030 1.0232 0.2550 H 1 UNL1111111111 0.2103 123 H -7.9122 3.5719 0.4729 H 1 UNL1111111111 0.3098 124 H -6.5350 3.9935 -1.7611 H 1 UNL1111111111 0.1717 125 H -7.4555 3.4717 -3.1822 H 1 UNL1111111111 0.1894 126 H -8.1822 4.6090 -2.0355 H 1 UNL1111111111 0.1722 127 H -0.1401 0.4108 1.7456 H 1 UNL1111111111 0.1474 128 H -1.4780 -2.0264 0.2617 H 1 UNL1111111111 0.1632 129 H -2.9030 -1.6384 2.1298 H 1 UNL1111111111 0.3370 130 H 0.5277 -2.0506 2.4426 H 1 UNL1111111111 0.1516 131 H 1.2605 -2.1813 0.7859 H 1 UNL1111111111 0.1573 132 H 3.0993 -1.9154 3.2404 H 1 UNL1111111111 0.1497 133 H 3.6903 0.7090 3.1385 H 1 UNL1111111111 0.1375 134 H 5.4377 -0.1952 3.9705 H 1 UNL1111111111 0.3357 135 H 3.5662 1.0706 0.7172 H 1 UNL1111111111 0.1393 136 H 4.4339 3.1441 0.9732 H 1 UNL1111111111 0.1369 137 H 7.0126 3.0580 0.0934 H 1 UNL1111111111 0.1623 138 H 6.0330 5.0462 0.1001 H 1 UNL1111111111 0.3280 139 H 8.2655 2.3126 2.0670 H 1 UNL1111111111 0.1722 140 H 8.4111 5.1123 1.7274 H 1 UNL1111111111 0.3366 141 H 6.8302 4.5576 3.7195 H 1 UNL1111111111 0.1480 142 H 9.0039 3.5215 4.2705 H 1 UNL1111111111 0.3404 143 H 6.3719 1.4559 3.5272 H 1 UNL1111111111 0.1684 144 H 6.1467 2.4524 5.9278 H 1 UNL1111111111 0.1725 145 H 4.8322 3.5234 5.2856 H 1 UNL1111111111 0.1301 146 H 3.7030 1.5956 4.7830 H 1 UNL1111111111 0.3169 147 H 5.9104 -0.9603 0.3756 H 1 UNL1111111111 0.1657 148 H 5.5648 0.6498 -1.3479 H 1 UNL1111111111 0.3872 149 H 2.8440 -1.2630 -0.3228 H 1 UNL1111111111 0.1779 150 H 4.7703 -2.4940 -1.7173 H 1 UNL1111111111 0.1468 151 H 4.9975 -3.4986 -0.2192 H 1 UNL1111111111 0.1610 152 H 3.9884 -4.7616 -2.5652 H 1 UNL1111111111 0.1456 153 H 1.3231 -4.7351 -2.6303 H 1 UNL1111111111 0.1786 154 H 2.7638 -7.1413 -2.2519 H 1 UNL1111111111 0.3295 155 H 0.8486 -4.6738 -0.1439 H 1 UNL1111111111 0.1697 156 H 0.1069 -6.9789 -1.5666 H 1 UNL1111111111 0.3377 157 H 2.1817 -7.4927 0.0516 H 1 UNL1111111111 0.1321 158 H 0.5442 -6.5737 1.5969 H 1 UNL1111111111 0.3382 159 H 3.3016 -4.6966 0.9204 H 1 UNL1111111111 0.1724 160 H 3.9391 -7.1025 2.1375 H 1 UNL1111111111 0.1447 161 H 5.0896 -7.1719 0.7316 H 1 UNL1111111111 0.1549 162 H 4.9545 -4.8231 2.2698 H 1 UNL1111111111 0.3208 @BOND 1 2 1 2 2 3 2 1 3 3 85 1 4 3 86 1 5 3 87 1 6 4 2 am 7 4 5 1 8 4 88 1 9 5 8 1 10 5 89 1 11 6 5 1 12 6 14 1 13 6 90 1 14 7 6 1 15 7 91 1 16 8 10 1 17 8 92 1 18 9 8 1 19 9 93 1 20 11 10 1 21 11 12 1 22 11 94 1 23 12 95 1 24 12 96 1 25 13 12 1 26 13 97 1 27 14 11 1 28 14 98 1 29 15 14 1 30 16 15 1 31 16 99 1 32 17 16 1 33 17 100 1 34 18 17 1 35 18 101 1 36 19 17 1 37 19 102 1 38 20 19 1 39 20 21 1 40 21 22 1 41 21 103 1 42 23 22 1 43 23 24 1 44 23 104 1 45 24 25 1 46 24 105 1 47 24 106 1 48 25 107 1 49 26 23 1 50 26 108 1 51 27 26 1 52 27 109 1 53 28 26 1 54 28 30 1 55 28 110 1 56 29 28 1 57 29 111 1 58 30 21 1 59 30 31 1 60 30 112 1 61 32 31 1 62 32 41 1 63 32 113 1 64 33 32 1 65 34 33 1 66 34 37 1 67 34 114 1 68 35 34 1 69 35 36 1 70 35 115 1 71 35 116 1 72 36 117 1 73 37 39 1 74 37 118 1 75 38 37 1 76 38 119 1 77 39 41 1 78 39 40 1 79 39 120 1 80 40 121 1 81 41 42 1 82 41 122 1 83 42 43 am 84 42 123 1 85 43 45 1 86 44 43 2 87 45 124 1 88 45 125 1 89 45 126 1 90 46 16 1 91 47 46 1 92 47 127 1 93 48 19 1 94 48 47 1 95 48 128 1 96 49 48 1 97 49 129 1 98 50 47 1 99 50 51 1 100 50 130 1 101 50 131 1 102 52 51 1 103 52 53 1 104 52 132 1 105 53 55 1 106 53 133 1 107 54 53 1 108 54 134 1 109 55 56 1 110 55 135 1 111 56 57 1 112 57 67 1 113 57 58 1 114 57 136 1 115 58 60 1 116 58 59 1 117 58 137 1 118 59 138 1 119 60 62 1 120 60 61 1 121 60 139 1 122 61 140 1 123 62 63 1 124 62 141 1 125 63 142 1 126 64 62 1 127 64 65 1 128 64 143 1 129 65 144 1 130 65 145 1 131 66 65 1 132 66 146 1 133 67 64 1 134 68 55 1 135 68 69 1 136 68 147 1 137 69 148 1 138 70 68 1 139 70 149 1 140 71 52 1 141 71 70 1 142 72 70 1 143 72 150 1 144 72 151 1 145 73 72 1 146 74 73 1 147 74 152 1 148 75 74 1 149 75 153 1 150 76 75 1 151 76 154 1 152 77 75 1 153 77 155 1 154 78 77 1 155 78 156 1 156 79 77 1 157 79 81 1 158 79 157 1 159 80 79 1 160 80 158 1 161 81 82 1 162 81 159 1 163 82 74 1 164 83 81 1 165 83 84 1 166 83 160 1 167 83 161 1 168 84 162 1