@MOLECULE (5xi)-6-o-{(5r)-5-[(1s)-1,2-dihydroxyethyl]-alpha-d-lyxopyranosyl}-alpha-d-xylo-hexopyranose 49 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0580 0.2566 1.1077 O.3 1 UNL1111111111 -0.4502 2 O 0.0912 -0.5710 1.3388 O.3 1 UNL1111111111 -0.4522 3 O 2.8707 0.1165 1.6132 O.3 1 UNL1111111111 -0.4270 4 O -2.4543 -0.9509 -2.3022 O.3 1 UNL1111111111 -0.5618 5 O -2.2117 -3.3685 -0.8121 O.3 1 UNL1111111111 -0.5685 6 O -2.8200 -2.4986 1.6619 O.3 1 UNL1111111111 -0.5441 7 O 1.0423 1.5171 -1.1504 O.3 1 UNL1111111111 -0.5695 8 O 2.7624 -0.4105 -2.4537 O.3 1 UNL1111111111 -0.5573 9 O 5.2814 -0.6699 -1.0049 O.3 1 UNL1111111111 -0.5349 10 O -4.3519 1.1593 -0.2391 O.3 1 UNL1111111111 -0.5627 11 O 4.8511 1.1630 0.9717 O.3 1 UNL1111111111 -0.5914 12 O -3.3927 3.8675 -0.2664 O.3 1 UNL1111111111 -0.5405 13 C -2.0667 0.3489 -0.3094 C.3 1 UNL1111111111 0.0010 14 C -2.5805 -0.9799 -0.8943 C.3 1 UNL1111111111 0.0547 15 C -1.6537 -2.1220 -0.4447 C.3 1 UNL1111111111 0.0772 16 C -1.5737 -2.1633 1.0914 C.3 1 UNL1111111111 0.0604 17 C -1.2660 -0.7576 1.6576 C.3 1 UNL1111111111 0.3030 18 C 1.9013 0.8882 0.9200 C.3 1 UNL1111111111 0.0668 19 C 1.7263 0.4374 -0.5433 C.3 1 UNL1111111111 0.0877 20 C 3.0831 0.2523 -1.2472 C.3 1 UNL1111111111 0.0355 21 C 0.6272 0.6770 1.7538 C.3 1 UNL1111111111 -0.0326 22 C 4.0183 -0.6173 -0.3963 C.3 1 UNL1111111111 -0.0007 23 C -3.0335 1.5087 -0.5955 C.3 1 UNL1111111111 0.0788 24 C 4.1244 -0.0352 1.0304 C.3 1 UNL1111111111 0.3070 25 C -2.6229 2.7724 0.1772 C.3 1 UNL1111111111 -0.0440 26 H -1.0380 0.5814 -0.6724 H 1 UNL1111111111 0.1710 27 H -3.6387 -1.1801 -0.6138 H 1 UNL1111111111 0.1579 28 H -0.6455 -2.0391 -0.9116 H 1 UNL1111111111 0.1531 29 H -0.8235 -2.9115 1.4360 H 1 UNL1111111111 0.1565 30 H -1.4690 -0.6553 2.7457 H 1 UNL1111111111 0.1536 31 H 2.2066 1.9600 0.9619 H 1 UNL1111111111 0.1363 32 H 1.1072 -0.4851 -0.6425 H 1 UNL1111111111 0.1695 33 H 3.5486 1.2264 -1.5161 H 1 UNL1111111111 0.1403 34 H -0.0942 1.4960 1.5744 H 1 UNL1111111111 0.1495 35 H 0.8652 0.5995 2.8324 H 1 UNL1111111111 0.1447 36 H 3.6854 -1.6819 -0.3814 H 1 UNL1111111111 0.1776 37 H -3.1141 1.7158 -1.6880 H 1 UNL1111111111 0.1586 38 H 4.6870 -0.6670 1.7554 H 1 UNL1111111111 0.1730 39 H -2.7594 2.6528 1.2669 H 1 UNL1111111111 0.1331 40 H -1.5820 3.0773 -0.0385 H 1 UNL1111111111 0.1527 41 H -3.1702 -0.4082 -2.6954 H 1 UNL1111111111 0.3307 42 H -2.4435 -3.3536 -1.7681 H 1 UNL1111111111 0.3443 43 H -3.2244 -3.2348 1.1416 H 1 UNL1111111111 0.3450 44 H 0.9482 1.3460 -2.1163 H 1 UNL1111111111 0.3452 45 H 3.5780 -0.7926 -2.8512 H 1 UNL1111111111 0.3406 46 H 5.8177 0.1223 -0.7587 H 1 UNL1111111111 0.3363 47 H -4.3685 0.7641 0.6621 H 1 UNL1111111111 0.3368 48 H 4.3093 1.9262 0.6991 H 1 UNL1111111111 0.3336 49 H -4.3459 3.6263 -0.2588 H 1 UNL1111111111 0.3255 @BOND 1 1 13 1 2 1 17 1 3 2 17 1 4 2 21 1 5 3 18 1 6 3 24 1 7 4 14 1 8 4 41 1 9 5 15 1 10 5 42 1 11 6 16 1 12 6 43 1 13 7 19 1 14 7 44 1 15 8 20 1 16 8 45 1 17 9 22 1 18 9 46 1 19 10 23 1 20 10 47 1 21 11 24 1 22 11 48 1 23 12 25 1 24 12 49 1 25 13 14 1 26 13 23 1 27 13 26 1 28 14 15 1 29 14 27 1 30 15 16 1 31 15 28 1 32 16 17 1 33 16 29 1 34 17 30 1 35 18 19 1 36 18 21 1 37 18 31 1 38 19 20 1 39 19 32 1 40 20 22 1 41 20 33 1 42 21 34 1 43 21 35 1 44 22 24 1 45 22 36 1 46 23 25 1 47 23 37 1 48 24 38 1 49 25 39 1 50 25 40 1