@MOLECULE (1s,2r,3s,4s,5r,6s)-2,3,5-trihydroxy-6-(thiophosphonooxy)-1,4-cyclohexanediyl bis[dihydrogen (phosphate)] 39 39 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.6593 3.9301 -0.8470 S.2 1 UNL1111111111 -0.1177 2 P 1.1865 2.5465 0.3088 P.3 1 UNL1111111111 0.3194 3 P -4.1027 -0.2043 0.0948 P.3 1 UNL1111111111 0.3810 4 P 3.2426 -1.2324 -0.2862 P.3 1 UNL1111111111 0.3741 5 O 0.6815 1.0129 0.1729 O.3 1 UNL1111111111 -0.3834 6 O -2.5604 -0.3228 -0.3562 O.3 1 UNL1111111111 -0.4238 7 O 1.7160 -1.4373 0.1393 O.3 1 UNL1111111111 -0.2806 8 O -0.8831 -0.9739 -2.3958 O.3 1 UNL1111111111 -0.5670 9 O -0.0024 -0.9720 2.1453 O.3 1 UNL1111111111 -0.5504 10 O 0.0386 -3.4696 0.8541 O.3 1 UNL1111111111 -0.5405 11 O 2.7254 2.1500 0.5156 O.3 1 UNL1111111111 -0.3897 12 O 0.8013 2.8101 1.8357 O.3 1 UNL1111111111 -0.3367 13 O -4.6946 -0.8057 -1.2615 O.3 1 UNL1111111111 -0.3427 14 O -4.4565 1.3304 -0.0487 O.3 1 UNL1111111111 -0.2722 15 O 3.7015 -2.7186 -0.6066 O.3 1 UNL1111111111 -0.2887 16 O 3.8089 -1.0026 1.1881 O.3 1 UNL1111111111 -0.3062 17 O -4.4789 -0.7812 1.3667 O.2 1 UNL1111111111 -0.2417 18 O 3.5579 -0.1967 -1.2621 O.2 1 UNL1111111111 -0.3753 19 C -0.4374 0.5519 -0.5729 C.3 1 UNL1111111111 0.0647 20 C -1.4422 -0.0087 0.4845 C.3 1 UNL1111111111 0.0757 21 C 0.6623 -1.7832 -0.7757 C.3 1 UNL1111111111 0.0454 22 C 0.1287 -0.5367 -1.5175 C.3 1 UNL1111111111 0.0803 23 C -0.9684 -1.3057 1.1817 C.3 1 UNL1111111111 0.0712 24 C -0.4346 -2.3387 0.1727 C.3 1 UNL1111111111 0.0668 25 H -0.9672 1.3130 -1.2004 H 1 UNL1111111111 0.1514 26 H -1.6379 0.7681 1.2643 H 1 UNL1111111111 0.1601 27 H 0.9466 -2.5777 -1.5061 H 1 UNL1111111111 0.1541 28 H 0.8903 -0.1072 -2.2116 H 1 UNL1111111111 0.1689 29 H -1.7708 -1.7632 1.8124 H 1 UNL1111111111 0.1702 30 H -1.2706 -2.7490 -0.4463 H 1 UNL1111111111 0.1580 31 H -1.7559 -1.0072 -1.9499 H 1 UNL1111111111 0.3414 32 H 0.8127 -0.6436 1.7067 H 1 UNL1111111111 0.3375 33 H 0.7665 -3.2069 1.4674 H 1 UNL1111111111 0.3395 34 H 3.0888 1.6892 -0.3379 H 1 UNL1111111111 0.3549 35 H 1.0336 1.9862 2.4017 H 1 UNL1111111111 0.3224 36 H -4.7624 -1.8254 -1.1601 H 1 UNL1111111111 0.3238 37 H -4.1454 1.6587 -0.9763 H 1 UNL1111111111 0.3135 38 H 4.6339 -2.6598 -1.0476 H 1 UNL1111111111 0.3153 39 H 3.5397 -0.0375 1.4535 H 1 UNL1111111111 0.3271 @BOND 1 1 2 2 2 2 5 1 3 2 11 1 4 2 12 1 5 3 6 1 6 3 13 1 7 3 14 1 8 3 17 2 9 4 7 1 10 4 15 1 11 4 16 1 12 4 18 2 13 5 19 1 14 6 20 1 15 7 21 1 16 8 22 1 17 8 31 1 18 9 23 1 19 9 32 1 20 10 24 1 21 10 33 1 22 11 34 1 23 12 35 1 24 13 36 1 25 14 37 1 26 15 38 1 27 16 39 1 28 19 20 1 29 19 22 1 30 19 25 1 31 20 23 1 32 20 26 1 33 21 22 1 34 21 24 1 35 21 27 1 36 22 28 1 37 23 24 1 38 23 29 1 39 24 30 1