@MOLECULE (2s,3r,4r,5r,6s)-2,3,4,5,6-pentahydroxy-7-oxo-8-(phosphonooxy)octyl dihydrogen phosphate 42 41 0 0 0 SMALL GASTEIGER @ATOM 1 P -5.0678 1.8694 0.1027 P.3 1 UNL111111 0.3597 2 P 5.1640 1.6750 -0.1639 P.3 1 UNL111111 0.3459 3 O -0.4344 -2.8301 -1.5630 O.3 1 UNL111111 -0.5594 4 O -2.8415 -3.1671 -0.2113 O.3 1 UNL111111 -0.5423 5 O 0.2051 -1.1057 1.4944 O.3 1 UNL111111 -0.5758 6 O -2.0854 -0.7281 -1.5678 O.3 1 UNL111111 -0.6226 7 O 2.2098 -2.9236 1.2112 O.3 1 UNL111111 -0.5027 8 O -3.8231 0.8903 -0.0429 O.3 1 UNL111111 -0.3318 9 O 2.6260 0.0108 1.1616 O.2 1 UNL111111 -0.4936 10 O 5.1519 0.0775 0.0139 O.3 1 UNL111111 -0.2240 11 O -6.1992 1.2616 -0.8550 O.3 1 UNL111111 -0.4284 12 O -5.7279 1.6263 1.5244 O.3 1 UNL111111 -0.2785 13 O -4.5796 3.2164 -0.1137 O.2 1 UNL111111 -0.1931 14 O 4.7800 1.8473 -1.7050 O.3 1 UNL111111 -0.3905 15 O 3.9080 2.3024 0.5752 O.3 1 UNL111111 -0.4045 16 O 6.4586 2.1567 0.2648 O.2 1 UNL111111 -0.1744 17 C -0.4930 -2.6193 -0.1738 C.3 1 UNL111111 0.0807 18 C -1.9191 -2.2268 0.2739 C.3 1 UNL111111 0.0730 19 C 0.5173 -1.5091 0.1744 C.3 1 UNL111111 0.0476 20 C -2.3266 -0.8086 -0.1710 C.3 1 UNL111111 0.0911 21 C 1.9674 -2.0303 0.1569 C.3 1 UNL111111 -0.0196 22 C -3.8211 -0.5418 0.0942 C.3 1 UNL111111 -0.0539 23 C 2.9206 -0.8413 0.3489 C.2 1 UNL111111 0.4268 24 C 4.1565 -0.7932 -0.5065 C.3 1 UNL111111 -0.1383 25 H -0.2016 -3.6098 0.2491 H 1 UNL111111 0.1718 26 H -2.0148 -2.3163 1.3850 H 1 UNL111111 0.1693 27 H 0.3949 -0.6417 -0.5166 H 1 UNL111111 0.1462 28 H -1.6944 -0.0323 0.3283 H 1 UNL111111 0.1585 29 H 2.1825 -2.6246 -0.7606 H 1 UNL111111 0.1784 30 H -4.4560 -1.0419 -0.6618 H 1 UNL111111 0.1471 31 H -4.1165 -0.8739 1.1063 H 1 UNL111111 0.1365 32 H -0.8800 -2.0808 -2.0297 H 1 UNL111111 0.3456 33 H -2.6730 -3.3480 -1.1657 H 1 UNL111111 0.3358 34 H 0.8404 -0.3986 1.7750 H 1 UNL111111 0.3558 35 H -2.3951 0.1341 -1.9145 H 1 UNL111111 0.3547 36 H 3.8926 -0.6192 -1.5744 H 1 UNL111111 0.1697 37 H 4.7047 -1.7700 -0.4514 H 1 UNL111111 0.1796 38 H 1.6878 -2.6419 2.0114 H 1 UNL111111 0.3383 39 H -6.0019 1.5058 -1.8221 H 1 UNL111111 0.3296 40 H -6.3185 0.7840 1.4769 H 1 UNL111111 0.3079 41 H 4.3957 2.7843 -1.8471 H 1 UNL111111 0.3275 42 H 3.3383 1.5455 0.9789 H 1 UNL111111 0.3561 @BOND 1 1 8 1 2 1 11 1 3 1 12 1 4 1 13 2 5 2 10 1 6 2 14 1 7 2 15 1 8 2 16 2 9 3 17 1 10 3 32 1 11 4 18 1 12 4 33 1 13 5 19 1 14 5 34 1 15 6 20 1 16 6 35 1 17 7 21 1 18 7 38 1 19 8 22 1 20 9 23 2 21 10 24 1 22 11 39 1 23 12 40 1 24 14 41 1 25 15 42 1 26 17 18 1 27 17 19 1 28 17 25 1 29 18 20 1 30 18 26 1 31 19 21 1 32 19 27 1 33 20 22 1 34 20 28 1 35 21 23 1 36 21 29 1 37 22 30 1 38 22 31 1 39 23 24 1 40 24 36 1 41 24 37 1