@MOLECULE (4r,5s,6r,7r)-5,6,7,8-tetrahydroxy-2-oxo-4-(phosphonooxy)octanoic acid 35 34 0 0 0 SMALL GASTEIGER @ATOM 1 P -0.9568 -2.4179 -0.0765 P.3 1 UNL1111111111 0.3662 2 O -0.0947 -1.0583 0.0216 O.3 1 UNL1111111111 -0.3317 3 O 0.9285 1.9271 1.5695 O.3 1 UNL1111111111 -0.5502 4 O 2.5473 -0.4745 1.0841 O.3 1 UNL1111111111 -0.5921 5 O 3.0437 1.9373 -1.4556 O.3 1 UNL1111111111 -0.5486 6 O 4.7938 -0.2311 -0.6355 O.3 1 UNL1111111111 -0.5514 7 O -1.8839 0.5739 -1.3047 O.2 1 UNL1111111111 -0.3769 8 O -1.1630 -2.4629 -1.6494 O.3 1 UNL1111111111 -0.3108 9 O 0.2628 -3.4284 0.1241 O.3 1 UNL1111111111 -0.3255 10 O -2.1122 -2.5929 0.7804 O.2 1 UNL1111111111 -0.3012 11 O -3.2130 3.0475 -0.7603 O.3 1 UNL1111111111 -0.5264 12 O -4.5202 1.6483 0.3979 O.2 1 UNL1111111111 -0.4693 13 C 0.7487 1.0229 0.5085 C.3 1 UNL1111111111 0.0671 14 C 2.0765 0.3907 0.0670 C.3 1 UNL1111111111 0.0566 15 C -0.2804 -0.0481 1.0111 C.3 1 UNL1111111111 0.1346 16 C 3.1645 1.4745 -0.1294 C.3 1 UNL1111111111 0.0716 17 C -1.6613 0.6229 1.0935 C.3 1 UNL1111111111 -0.4258 18 C 4.5757 0.9352 0.1289 C.3 1 UNL1111111111 -0.0454 19 C -2.2496 0.9596 -0.2326 C.2 1 UNL1111111111 0.4524 20 C -3.4758 1.8797 -0.1435 C.2 1 UNL1111111111 0.5184 21 H 0.3295 1.6555 -0.3090 H 1 UNL1111111111 0.1740 22 H 1.9377 -0.1911 -0.8767 H 1 UNL1111111111 0.1572 23 H 0.0192 -0.4200 2.0214 H 1 UNL1111111111 0.1372 24 H 2.9593 2.3915 0.4726 H 1 UNL1111111111 0.1645 25 H -1.5658 1.5416 1.7225 H 1 UNL1111111111 0.1987 26 H -2.3845 -0.0214 1.6587 H 1 UNL1111111111 0.2119 27 H 5.3525 1.6328 -0.2418 H 1 UNL1111111111 0.1517 28 H 4.7433 0.7230 1.1994 H 1 UNL1111111111 0.1348 29 H 1.5096 1.5345 2.2589 H 1 UNL1111111111 0.3267 30 H 2.0347 -1.3146 1.0647 H 1 UNL1111111111 0.3484 31 H 3.5267 1.3381 -2.0701 H 1 UNL1111111111 0.3302 32 H 4.2124 -0.9537 -0.3083 H 1 UNL1111111111 0.3285 33 H -1.3291 -1.4831 -1.9585 H 1 UNL1111111111 0.3450 34 H -0.1133 -4.3835 0.0367 H 1 UNL1111111111 0.3223 35 H -3.9712 3.6916 -0.7557 H 1 UNL1111111111 0.3573 @BOND 1 1 2 1 2 1 8 1 3 1 9 1 4 1 10 2 5 2 15 1 6 3 13 1 7 3 29 1 8 4 14 1 9 4 30 1 10 5 16 1 11 5 31 1 12 6 18 1 13 6 32 1 14 7 19 2 15 8 33 1 16 9 34 1 17 11 20 1 18 11 35 1 19 12 20 2 20 13 14 1 21 13 15 1 22 13 21 1 23 14 16 1 24 14 22 1 25 15 17 1 26 15 23 1 27 16 18 1 28 16 24 1 29 17 19 1 30 17 25 1 31 17 26 1 32 18 27 1 33 18 28 1 34 19 20 1