@MOLECULE 3-hydroxy-5-{[hydroxy(thiophosphonooxy)phosphoryl]oxy}-3-methylpentanoic acid 32 31 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.1705 -1.5463 1.3653 S.2 1 UNL111111111 -0.0168 2 P -1.0469 1.9814 -0.0915 P.3 1 UNL111111111 0.3630 3 P -2.4104 -0.8355 -0.1847 P.3 1 UNL111111111 0.3550 4 O 4.7339 -0.0942 -0.7314 O.3 1 UNL111111111 -0.5815 5 O 0.4961 1.7711 -0.3518 O.3 1 UNL111111111 -0.1912 6 O -1.7302 0.5665 0.0097 O.3 1 UNL111111111 -0.4085 7 O 1.0194 -2.2932 0.5516 O.3 1 UNL111111111 -0.5783 8 O 1.4355 -1.5106 -1.4874 O.2 1 UNL111111111 -0.5413 9 O -1.1377 2.4226 1.4348 O.3 1 UNL111111111 -0.3355 10 O -1.5961 2.8422 -1.1180 O.2 1 UNL111111111 -0.1984 11 O -1.2365 -1.7307 -0.7943 O.3 1 UNL111111111 -0.4562 12 O -3.4045 -0.6051 -1.4006 O.3 1 UNL111111111 -0.3509 13 C 3.6525 -0.0381 0.1906 C.3 1 UNL111111111 0.3677 14 C 2.6279 0.9726 -0.3389 C.3 1 UNL111111111 -0.3917 15 C 3.1910 -1.5132 0.2156 C.3 1 UNL111111111 -0.4031 16 C 4.2088 0.3888 1.5541 C.3 1 UNL111111111 -0.5195 17 C 1.4150 1.1583 0.5878 C.3 1 UNL111111111 -0.0220 18 C 1.8335 -1.7385 -0.3698 C.2 1 UNL111111111 0.6726 19 H 2.2791 0.6556 -1.3540 H 1 UNL111111111 0.2045 20 H 3.1130 1.9511 -0.5162 H 1 UNL111111111 0.1547 21 H 3.2399 -1.9197 1.2483 H 1 UNL111111111 0.1851 22 H 3.9351 -2.1144 -0.3697 H 1 UNL111111111 0.2086 23 H 1.6344 1.8578 1.4173 H 1 UNL111111111 0.1272 24 H 1.0600 0.1995 1.0107 H 1 UNL111111111 0.1427 25 H 5.0771 -0.2259 1.8293 H 1 UNL111111111 0.1650 26 H 3.4633 0.2880 2.3495 H 1 UNL111111111 0.1605 27 H 4.5434 1.4319 1.5443 H 1 UNL111111111 0.1545 28 H 5.1385 0.7792 -0.8754 H 1 UNL111111111 0.3202 29 H 0.0633 -2.3485 0.2350 H 1 UNL111111111 0.3889 30 H -2.0117 2.0557 1.8376 H 1 UNL111111111 0.3321 31 H -0.6083 -1.2482 -1.4453 H 1 UNL111111111 0.3628 32 H -3.0244 0.0621 -2.0674 H 1 UNL111111111 0.3299 @BOND 1 1 3 2 2 2 5 1 3 2 6 1 4 2 9 1 5 2 10 2 6 3 6 1 7 3 11 1 8 3 12 1 9 4 13 1 10 4 28 1 11 5 17 1 12 7 18 1 13 7 29 1 14 8 18 2 15 9 30 1 16 11 31 1 17 12 32 1 18 13 14 1 19 13 15 1 20 13 16 1 21 14 17 1 22 14 19 1 23 14 20 1 24 15 18 1 25 15 21 1 26 15 22 1 27 16 25 1 28 16 26 1 29 16 27 1 30 17 23 1 31 17 24 1