@MOLECULE (5r)-5-[(1r)-1,2-dihydroxyethyl]-alpha-d-lyxopyranose 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.1219 0.5942 0.6603 O.3 1 UNL1111111111 -0.5408 2 C -2.9339 0.7825 -0.0756 C.3 1 UNL1111111111 -0.0201 3 C -1.9220 -0.3183 0.2815 C.3 1 UNL1111111111 0.0882 4 O -2.4473 -1.4939 -0.2981 O.3 1 UNL1111111111 -0.5755 5 C -0.5317 -0.0224 -0.3236 C.3 1 UNL1111111111 0.0293 6 O -0.1829 1.2436 0.2138 O.3 1 UNL1111111111 -0.4365 7 C 1.0856 1.7328 -0.0998 C.3 1 UNL1111111111 0.3169 8 O 1.1890 2.0003 -1.4743 O.3 1 UNL1111111111 -0.5968 9 C 2.2437 0.7488 0.1846 C.3 1 UNL1111111111 0.0276 10 O 2.3597 0.5691 1.5816 O.3 1 UNL1111111111 -0.5513 11 C 1.9076 -0.6483 -0.3617 C.3 1 UNL1111111111 0.0844 12 O 2.8397 -1.6081 0.0642 O.3 1 UNL1111111111 -0.5464 13 C 0.5074 -1.0709 0.1200 C.3 1 UNL1111111111 0.0617 14 O 0.1304 -2.2673 -0.5332 O.3 1 UNL1111111111 -0.5840 15 H -4.4498 -0.3229 0.5231 H 1 UNL1111111111 0.3279 16 H -3.1747 0.7787 -1.1535 H 1 UNL1111111111 0.1287 17 H -2.5830 1.7826 0.2401 H 1 UNL1111111111 0.1501 18 H -1.8695 -0.4724 1.3826 H 1 UNL1111111111 0.1461 19 H -1.7368 -2.1640 -0.4178 H 1 UNL1111111111 0.3529 20 H -0.5804 0.0449 -1.4329 H 1 UNL1111111111 0.1552 21 H 1.1270 2.6756 0.4890 H 1 UNL1111111111 0.1390 22 H 0.3857 2.4430 -1.8176 H 1 UNL1111111111 0.3458 23 H 3.2036 1.1270 -0.2305 H 1 UNL1111111111 0.1530 24 H 2.7334 1.3641 2.0120 H 1 UNL1111111111 0.3276 25 H 1.9900 -0.6808 -1.4751 H 1 UNL1111111111 0.1744 26 H 3.0557 -1.4807 1.0174 H 1 UNL1111111111 0.3375 27 H 0.4888 -1.2485 1.2179 H 1 UNL1111111111 0.1524 28 H 0.8628 -2.9232 -0.4844 H 1 UNL1111111111 0.3528 @BOND 1 1 15 1 2 2 1 1 3 2 16 1 4 2 17 1 5 3 2 1 6 3 18 1 7 4 3 1 8 4 19 1 9 5 3 1 10 5 13 1 11 5 20 1 12 6 5 1 13 7 6 1 14 7 9 1 15 7 21 1 16 8 7 1 17 8 22 1 18 9 10 1 19 9 11 1 20 9 23 1 21 10 24 1 22 11 13 1 23 11 12 1 24 11 25 1 25 12 26 1 26 13 14 1 27 13 27 1 28 14 28 1