@MOLECULE 6-deoxy-alpha-l-mannopyranosyl-(1->3)-[alpha-d-glucopyranosyl-(1->4)]-(3xi)-d-xylo-hexose 65 66 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0693 -1.0254 0.0316 O.3 1 UNL11 -0.4455 2 O 1.4835 -0.8032 -0.4308 O.3 1 UNL11 -0.5051 3 O -1.8890 0.9232 1.2498 O.3 1 UNL11 -0.4528 4 O 1.9705 0.9541 0.9848 O.3 1 UNL11 -0.4532 5 O -4.3064 -1.8114 1.1827 O.3 1 UNL11 -0.5526 6 O -5.9110 0.6159 0.7004 O.3 1 UNL11 -0.5670 7 O -4.4082 2.6319 -0.6578 O.3 1 UNL11 -0.5453 8 O 3.6555 -1.2413 2.3135 O.3 1 UNL11 -0.5473 9 O 5.7195 -0.8212 0.6950 O.3 1 UNL11 -0.5468 10 O 5.3016 1.9247 0.0222 O.3 1 UNL11 -0.5430 11 O -2.0050 -3.5984 -0.5148 O.3 1 UNL11 -0.5358 12 O -0.7418 0.9396 -2.4707 O.3 1 UNL11 -0.5263 13 O -0.3812 2.9213 -0.2236 O.3 1 UNL11 -0.5759 14 O 0.5581 -4.2202 0.0380 O.3 1 UNL11 -0.5479 15 O 1.8915 1.2090 -2.9234 O.2 1 UNL11 -0.4093 16 C -0.7687 -1.5571 -0.1389 C.3 1 UNL11 0.0296 17 C -2.3351 -0.4001 1.2656 C.3 1 UNL11 0.2633 18 C 0.1388 -0.4362 -0.6935 C.3 1 UNL11 0.0387 19 C -3.8772 -0.4903 1.3833 C.3 1 UNL11 0.0377 20 C -4.5528 0.4337 0.3555 C.3 1 UNL11 0.0488 21 C 1.9622 -0.4251 0.8508 C.3 1 UNL11 0.2954 22 C -3.9389 1.8477 0.4151 C.3 1 UNL11 0.0826 23 C 3.3293 -1.1440 0.9397 C.3 1 UNL11 0.0301 24 C 4.4645 -0.3226 0.3072 C.3 1 UNL11 0.0727 25 C -2.4205 1.7204 0.1922 C.3 1 UNL11 0.0292 26 C 4.3504 1.1547 0.7238 C.3 1 UNL11 0.0499 27 C 2.9738 1.6906 0.2789 C.3 1 UNL11 0.1210 28 C -1.0013 -2.7735 -1.0602 C.3 1 UNL11 0.0883 29 C 0.0782 -0.1616 -2.2121 C.3 1 UNL11 0.0147 30 C -1.6788 3.0525 0.3157 C.3 1 UNL11 -0.0069 31 C 2.7578 3.1289 0.7144 C.3 1 UNL11 -0.4727 32 C 0.2990 -3.5875 -1.2004 C.3 1 UNL11 -0.0576 33 C 1.4941 0.0896 -2.7348 C.2 1 UNL11 0.3158 34 H -0.3598 -1.9148 0.8370 H 1 UNL11 0.1413 35 H -1.7848 -0.8518 2.1152 H 1 UNL11 0.1390 36 H -0.1069 0.5173 -0.1536 H 1 UNL11 0.1807 37 H -4.2151 -0.2573 2.4201 H 1 UNL11 0.1692 38 H -4.5070 0.0090 -0.6730 H 1 UNL11 0.1548 39 H 1.2581 -0.7364 1.6557 H 1 UNL11 0.1391 40 H -4.1959 2.3633 1.3654 H 1 UNL11 0.1455 41 H 3.2711 -2.1601 0.4883 H 1 UNL11 0.1533 42 H 4.4803 -0.4328 -0.8032 H 1 UNL11 0.1652 43 H -2.2078 1.2350 -0.7935 H 1 UNL11 0.1849 44 H 4.5197 1.2920 1.8134 H 1 UNL11 0.1489 45 H 2.8194 1.5558 -0.8147 H 1 UNL11 0.1548 46 H -1.4437 -2.4837 -2.0402 H 1 UNL11 0.1627 47 H -0.4223 -0.9715 -2.7883 H 1 UNL11 0.1584 48 H -1.6165 3.4061 1.3592 H 1 UNL11 0.1321 49 H -2.1516 3.8259 -0.3268 H 1 UNL11 0.1718 50 H 3.6539 3.7307 0.4906 H 1 UNL11 0.1824 51 H 2.5657 3.2027 1.7921 H 1 UNL11 0.1606 52 H 1.9157 3.5986 0.1875 H 1 UNL11 0.1674 53 H 1.1869 -2.9433 -1.3596 H 1 UNL11 0.1649 54 H 0.2294 -4.3320 -2.0092 H 1 UNL11 0.1265 55 H -3.8013 -2.2361 0.4425 H 1 UNL11 0.3497 56 H -6.3378 -0.2587 0.8390 H 1 UNL11 0.3388 57 H -5.3888 2.5578 -0.7136 H 1 UNL11 0.3386 58 H 3.2640 -2.0497 2.7035 H 1 UNL11 0.3267 59 H 5.7365 -0.9852 1.6669 H 1 UNL11 0.3367 60 H 6.1681 1.4574 0.0262 H 1 UNL11 0.3327 61 H 2.1157 -0.7897 -2.9308 H 1 UNL11 0.1161 62 H -1.7854 -3.8493 0.4086 H 1 UNL11 0.3181 63 H -0.3823 1.7677 -2.0473 H 1 UNL11 0.3551 64 H 0.1974 2.3753 0.3607 H 1 UNL11 0.3381 65 H 0.1001 -5.0844 0.0810 H 1 UNL11 0.3191 @BOND 1 1 16 1 2 1 17 1 3 2 18 1 4 2 21 1 5 3 17 1 6 3 25 1 7 4 21 1 8 4 27 1 9 5 19 1 10 5 55 1 11 6 20 1 12 6 56 1 13 7 22 1 14 7 57 1 15 8 23 1 16 8 58 1 17 9 24 1 18 9 59 1 19 10 26 1 20 10 60 1 21 11 28 1 22 11 62 1 23 12 29 1 24 12 63 1 25 13 30 1 26 13 64 1 27 14 32 1 28 14 65 1 29 15 33 2 30 16 18 1 31 16 28 1 32 16 34 1 33 17 19 1 34 17 35 1 35 18 29 1 36 18 36 1 37 19 20 1 38 19 37 1 39 20 22 1 40 20 38 1 41 21 23 1 42 21 39 1 43 22 25 1 44 22 40 1 45 23 24 1 46 23 41 1 47 24 26 1 48 24 42 1 49 25 30 1 50 25 43 1 51 26 27 1 52 26 44 1 53 27 31 1 54 27 45 1 55 28 32 1 56 28 46 1 57 29 33 1 58 29 47 1 59 30 48 1 60 30 49 1 61 31 50 1 62 31 51 1 63 31 52 1 64 32 53 1 65 32 54 1 66 33 61 1