@MOLECULE (2r)-3-[(hydroxy{[(2r,3r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl diformate 49 49 0 0 0 SMALL GASTEIGER @ATOM 1 P -2.3952 2.6721 -0.1018 P.3 1 UNL1111111111 0.3419 2 P 4.9814 -1.1538 0.0175 P.3 1 UNL1111111111 0.3411 3 O -1.0409 2.0783 -0.7420 O.3 1 UNL1111111111 -0.3744 4 O 3.6069 -0.5103 0.5644 O.3 1 UNL1111111111 -0.3700 5 O -0.7112 -0.6399 -1.4207 O.3 1 UNL1111111111 -0.5397 6 O 1.5931 2.7907 -0.9032 O.3 1 UNL1111111111 -0.5719 7 O 1.9668 -1.4464 -1.6792 O.3 1 UNL1111111111 -0.5281 8 O 3.3777 2.2509 1.0856 O.3 1 UNL1111111111 -0.5293 9 O -3.3280 1.5154 0.4472 O.3 1 UNL1111111111 -0.2129 10 O -3.0767 3.0967 -1.4779 O.3 1 UNL1111111111 -0.3014 11 O 5.8612 -1.0626 1.3436 O.3 1 UNL1111111111 -0.2541 12 O 4.6468 -2.7093 0.0547 O.3 1 UNL1111111111 -0.2888 13 O -2.2553 3.6753 0.9337 O.2 1 UNL1111111111 -0.2160 14 O 5.5461 -0.6004 -1.1993 O.2 1 UNL1111111111 -0.2952 15 O -2.3134 -0.9266 1.2726 O.3 1 UNL1111111111 -0.4578 16 O -3.4831 -2.4294 -0.7256 O.3 1 UNL1111111111 -0.4404 17 O -2.9625 -1.9079 3.1843 O.2 1 UNL1111111111 -0.4888 18 O -4.9270 -4.0728 -1.2264 O.2 1 UNL1111111111 -0.4779 19 C -0.0864 1.2770 -0.0399 C.3 1 UNL1111111111 0.0453 20 C 2.7396 0.3101 -0.2156 C.3 1 UNL1111111111 0.0547 21 C 0.3337 0.2388 -1.1123 C.3 1 UNL1111111111 0.0693 22 C 1.1134 2.1950 0.2900 C.3 1 UNL1111111111 0.0476 23 C 1.5535 -0.5886 -0.6438 C.3 1 UNL1111111111 0.0542 24 C 2.3109 1.3801 0.8204 C.3 1 UNL1111111111 0.0923 25 C -3.5929 0.2937 -0.2748 C.3 1 UNL1111111111 -0.0668 26 C -3.6750 -0.7285 0.8744 C.3 1 UNL1111111111 0.0924 27 C -4.2647 -2.0622 0.4113 C.3 1 UNL1111111111 -0.0748 28 C -2.0836 -1.5050 2.4727 C.2 1 UNL1111111111 0.5097 29 C -3.9141 -3.4764 -1.4691 C.2 1 UNL1111111111 0.4998 30 H -0.4714 0.7672 0.8717 H 1 UNL1111111111 0.1436 31 H 3.2016 0.8058 -1.1031 H 1 UNL1111111111 0.1559 32 H 0.5261 0.7353 -2.0929 H 1 UNL1111111111 0.1643 33 H 0.8511 3.0092 1.0023 H 1 UNL1111111111 0.1566 34 H 1.2757 -1.3125 0.1569 H 1 UNL1111111111 0.1591 35 H 2.1039 0.9303 1.8181 H 1 UNL1111111111 0.1586 36 H -1.1406 -1.0116 -0.6175 H 1 UNL1111111111 0.3288 37 H 0.8716 3.2985 -1.3285 H 1 UNL1111111111 0.3391 38 H 2.1678 -0.9476 -2.4993 H 1 UNL1111111111 0.3162 39 H 3.6373 2.7335 0.2685 H 1 UNL1111111111 0.3324 40 H -4.5800 0.4129 -0.7707 H 1 UNL1111111111 0.1463 41 H -2.8501 -0.0086 -1.0427 H 1 UNL1111111111 0.1761 42 H -2.3406 3.3803 -2.1384 H 1 UNL1111111111 0.3173 43 H -4.2375 -0.3173 1.7492 H 1 UNL1111111111 0.1674 44 H 5.5036 -0.2342 1.8599 H 1 UNL1111111111 0.3226 45 H 3.9941 -2.8723 -0.7350 H 1 UNL1111111111 0.3238 46 H -4.1580 -2.8556 1.1766 H 1 UNL1111111111 0.1639 47 H -5.3311 -1.9821 0.1296 H 1 UNL1111111111 0.1551 48 H -1.0060 -1.5249 2.6364 H 1 UNL1111111111 0.1523 49 H -3.1924 -3.6308 -2.2719 H 1 UNL1111111111 0.1604 @BOND 1 1 3 1 2 1 9 1 3 1 10 1 4 1 13 2 5 2 4 1 6 2 11 1 7 2 12 1 8 2 14 2 9 3 19 1 10 4 20 1 11 5 21 1 12 5 36 1 13 6 22 1 14 6 37 1 15 7 23 1 16 7 38 1 17 8 24 1 18 8 39 1 19 9 25 1 20 10 42 1 21 11 44 1 22 12 45 1 23 15 26 1 24 15 28 1 25 16 27 1 26 16 29 1 27 17 28 2 28 18 29 2 29 19 21 1 30 19 22 1 31 19 30 1 32 20 23 1 33 20 24 1 34 20 31 1 35 21 23 1 36 21 32 1 37 22 24 1 38 22 33 1 39 23 34 1 40 24 35 1 41 25 26 1 42 25 40 1 43 25 41 1 44 26 27 1 45 26 43 1 46 27 46 1 47 27 47 1 48 28 48 1 49 29 49 1