@MOLECULE (5r)-5-[(1s)-1-hydroxy-2-(phosphonooxy)ethyl]-1-o-phosphono-beta-d-lyxopyranose 38 38 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.2780 0.0076 0.9644 C.3 1 UNL11 0.2986 2 O 2.8675 -1.2504 0.7841 O.3 1 UNL11 -0.3037 3 P 2.1124 -2.5658 0.2713 P.3 1 UNL11 0.3842 4 C 3.1550 1.0518 0.2323 C.3 1 UNL11 0.0223 5 O 3.2233 0.8480 -1.1598 O.3 1 UNL11 -0.5592 6 P -4.4412 -0.5491 0.3063 P.3 1 UNL11 0.3584 7 C 2.4912 2.4310 0.4238 C.3 1 UNL11 0.0534 8 O 3.1916 3.4247 -0.2790 O.3 1 UNL11 -0.5438 9 C 1.0468 2.3833 -0.1127 C.3 1 UNL11 0.0501 10 O 0.3422 3.5238 0.3380 O.3 1 UNL11 -0.5609 11 C 0.2521 1.2027 0.4752 C.3 1 UNL11 0.0409 12 O 0.9828 -0.0090 0.3821 O.3 1 UNL11 -0.4934 13 C -1.0005 0.9309 -0.3834 C.3 1 UNL11 0.1037 14 O -0.6276 0.7399 -1.7259 O.3 1 UNL11 -0.5479 15 C -1.7780 -0.2993 0.1304 C.3 1 UNL11 -0.0300 16 O -3.0597 0.2677 0.4331 O.3 1 UNL11 -0.3981 17 O 0.7291 -2.6670 1.0169 O.3 1 UNL11 -0.2892 18 O 1.6908 -2.1491 -1.2193 O.3 1 UNL11 -0.4318 19 O 3.0041 -3.6895 0.4657 O.2 1 UNL11 -0.1888 20 O -4.6685 -0.7559 -1.2500 O.3 1 UNL11 -0.3218 21 O -4.6159 -1.7826 1.0403 O.2 1 UNL11 -0.1979 22 O -5.4060 0.6588 0.7065 O.3 1 UNL11 -0.3224 23 H 2.1987 0.1899 2.0635 H 1 UNL11 0.1285 24 H 4.2097 1.0361 0.5842 H 1 UNL11 0.1637 25 H 2.7759 0.0084 -1.4160 H 1 UNL11 0.3518 26 H 2.5362 2.7868 1.4772 H 1 UNL11 0.1574 27 H 3.4283 3.0993 -1.1810 H 1 UNL11 0.3397 28 H 1.0396 2.3747 -1.2289 H 1 UNL11 0.1620 29 H 0.8233 4.3355 0.0558 H 1 UNL11 0.3388 30 H -0.0132 1.3901 1.5391 H 1 UNL11 0.1490 31 H -1.6497 1.8429 -0.4220 H 1 UNL11 0.1813 32 H 0.0936 0.0737 -1.7835 H 1 UNL11 0.3316 33 H -1.7791 -1.1017 -0.6367 H 1 UNL11 0.1504 34 H -1.3680 -0.6991 1.0814 H 1 UNL11 0.1297 35 H 0.1539 -1.8453 0.7600 H 1 UNL11 0.3281 36 H 2.1263 -2.7938 -1.8814 H 1 UNL11 0.3345 37 H -4.4836 0.1213 -1.7474 H 1 UNL11 0.3114 38 H -4.8348 1.4469 1.0466 H 1 UNL11 0.3195 @BOND 1 1 12 1 2 1 23 1 3 2 1 1 4 2 3 1 5 3 18 1 6 4 1 1 7 4 7 1 8 4 5 1 9 4 24 1 10 5 25 1 11 6 21 2 12 6 22 1 13 6 20 1 14 7 9 1 15 7 26 1 16 8 7 1 17 8 27 1 18 9 11 1 19 9 10 1 20 9 28 1 21 10 29 1 22 11 13 1 23 11 30 1 24 12 11 1 25 13 15 1 26 13 14 1 27 13 31 1 28 14 32 1 29 15 16 1 30 15 33 1 31 15 34 1 32 16 6 1 33 17 3 1 34 17 35 1 35 18 36 1 36 19 3 2 37 20 37 1 38 22 38 1