@MOLECULE 2-o-(4-o-phosphono-d-glucopyranosyl)-d-ribitol 48 48 0 0 0 SMALL GASTEIGER @ATOM 1 P -4.9429 -0.0181 -0.4847 P.3 1 UNL1111111111 0.3569 2 O -0.1018 0.8602 0.4970 O.3 1 UNL1111111111 -0.5013 3 O 1.6894 -0.3861 0.9300 O.3 1 UNL1111111111 -0.4178 4 O -3.3628 0.2252 -0.7362 O.3 1 UNL1111111111 -0.3747 5 O -2.6454 -2.2531 0.8798 O.3 1 UNL1111111111 -0.5638 6 O 0.2012 -2.6992 0.2675 O.3 1 UNL1111111111 -0.5422 7 O -0.6777 3.4271 -0.3439 O.3 1 UNL1111111111 -0.5379 8 O 4.2298 -1.4302 1.0378 O.3 1 UNL1111111111 -0.5585 9 O 4.6347 0.7850 -1.6968 O.3 1 UNL1111111111 -0.5727 10 O 2.2093 2.2475 1.8122 O.3 1 UNL1111111111 -0.5539 11 O -5.2488 -0.7321 -1.8775 O.3 1 UNL1111111111 -0.3189 12 O -5.1118 -1.2012 0.5491 O.3 1 UNL1111111111 -0.3092 13 O -5.6800 1.1810 -0.1472 O.2 1 UNL1111111111 -0.2306 14 O 7.2340 -0.2933 -1.4459 O.3 1 UNL1111111111 -0.5671 15 C -2.3624 0.0857 0.2624 C.3 1 UNL1111111111 0.0615 16 C -1.8031 -1.3569 0.1797 C.3 1 UNL1111111111 0.0406 17 C -0.3751 -1.5010 0.7392 C.3 1 UNL1111111111 0.0306 18 C -1.2954 1.1067 -0.2214 C.3 1 UNL1111111111 0.0530 19 C 0.5219 -0.3779 0.1723 C.3 1 UNL1111111111 0.3076 20 C 2.7667 0.3932 0.3895 C.3 1 UNL1111111111 0.0107 21 C -1.6562 2.5501 0.1631 C.3 1 UNL1111111111 -0.0130 22 C 3.8055 -0.6482 -0.0591 C.3 1 UNL1111111111 0.0807 23 C 5.0876 0.0185 -0.5976 C.3 1 UNL1111111111 0.1186 24 C 3.2039 1.2766 1.5659 C.3 1 UNL1111111111 -0.0118 25 C 6.0921 -1.0459 -1.0623 C.3 1 UNL1111111111 -0.0532 26 H -2.6811 0.3239 1.3031 H 1 UNL1111111111 0.1451 27 H -1.8604 -1.7497 -0.8676 H 1 UNL1111111111 0.1807 28 H -0.3482 -1.5139 1.8506 H 1 UNL1111111111 0.1506 29 H -1.1119 1.0214 -1.3148 H 1 UNL1111111111 0.1523 30 H 0.7148 -0.4532 -0.9158 H 1 UNL1111111111 0.1322 31 H 2.4412 1.0235 -0.4692 H 1 UNL1111111111 0.1671 32 H -2.5923 2.8787 -0.3323 H 1 UNL1111111111 0.1699 33 H -1.7402 2.6816 1.2562 H 1 UNL1111111111 0.1273 34 H 3.3572 -1.3269 -0.8233 H 1 UNL1111111111 0.1419 35 H -2.6831 -2.0422 1.8399 H 1 UNL1111111111 0.3281 36 H -0.4452 -3.4372 0.3479 H 1 UNL1111111111 0.3332 37 H 5.5557 0.7060 0.1420 H 1 UNL1111111111 0.1487 38 H 3.3656 0.6861 2.4857 H 1 UNL1111111111 0.1378 39 H 4.1053 1.8734 1.3327 H 1 UNL1111111111 0.1536 40 H 5.7304 -1.6037 -1.9433 H 1 UNL1111111111 0.1292 41 H 6.3449 -1.7436 -0.2434 H 1 UNL1111111111 0.1430 42 H 0.2037 3.2056 0.0352 H 1 UNL1111111111 0.3296 43 H 3.4355 -1.8168 1.4750 H 1 UNL1111111111 0.3413 44 H 5.4067 1.0847 -2.2277 H 1 UNL1111111111 0.3449 45 H 1.3230 1.8214 1.8107 H 1 UNL1111111111 0.3319 46 H -5.2199 -0.0157 -2.6149 H 1 UNL1111111111 0.3178 47 H -4.3201 -1.8645 0.4398 H 1 UNL1111111111 0.3391 48 H 8.0049 -0.8770 -1.5702 H 1 UNL1111111111 0.3212 @BOND 1 1 4 1 2 1 11 1 3 1 12 1 4 1 13 2 5 2 18 1 6 2 19 1 7 3 19 1 8 3 20 1 9 4 15 1 10 5 16 1 11 5 35 1 12 6 17 1 13 6 36 1 14 7 21 1 15 7 42 1 16 8 22 1 17 8 43 1 18 9 23 1 19 9 44 1 20 10 24 1 21 10 45 1 22 11 46 1 23 12 47 1 24 14 25 1 25 14 48 1 26 15 16 1 27 15 18 1 28 15 26 1 29 16 17 1 30 16 27 1 31 17 19 1 32 17 28 1 33 18 21 1 34 18 29 1 35 19 30 1 36 20 22 1 37 20 24 1 38 20 31 1 39 21 32 1 40 21 33 1 41 22 23 1 42 22 34 1 43 23 25 1 44 23 37 1 45 24 38 1 46 24 39 1 47 25 40 1 48 25 41 1