@MOLECULE (1r,2r,3s,4r,5r,6s)-3,5,6-trihydroxy-1,2,4-cyclohexanetriyl tris[dihydrogen (phosphate)] 39 39 0 0 0 SMALL USER_CHARGES @ATOM 1 P -0.3908 2.7310 0.0621 P.3 1 UNL111111 0.3819 2 P 3.9069 -0.2479 0.0583 P.3 1 UNL111111 0.3802 3 P -3.5098 -0.6063 -0.1759 P.3 1 UNL111111 0.3738 4 O -0.5954 1.1571 -0.1815 O.3 1 UNL111111 -0.2924 5 O 2.4224 -0.8604 -0.0932 O.3 1 UNL111111 -0.4264 6 O -2.0065 -1.0305 0.1994 O.3 1 UNL111111 -0.3527 7 O 0.5667 -1.4420 -2.3449 O.3 1 UNL111111 -0.5578 8 O -0.2856 -0.9749 2.2212 O.3 1 UNL111111 -0.5493 9 O -0.8174 -3.4084 1.0411 O.3 1 UNL111111 -0.5373 10 O 0.4133 2.6885 1.4397 O.3 1 UNL111111 -0.4011 11 O -1.8870 3.0842 0.4432 O.3 1 UNL111111 -0.2936 12 O 3.9780 0.7154 -1.2131 O.3 1 UNL111111 -0.3905 13 O 4.7388 -1.4978 -0.4470 O.3 1 UNL111111 -0.2222 14 O -3.4531 0.3370 -1.4430 O.3 1 UNL111111 -0.2882 15 O -3.6432 0.4480 1.0297 O.3 1 UNL111111 -0.3935 16 O 0.1614 3.5606 -0.9900 O.2 1 UNL111111 -0.2878 17 O 4.3140 0.2718 1.3443 O.2 1 UNL111111 -0.2330 18 O -4.4927 -1.6626 -0.2737 O.2 1 UNL111111 -0.2355 19 C 0.4585 0.3251 -0.6906 C.3 1 UNL111111 0.0423 20 C 1.2554 -0.2771 0.5019 C.3 1 UNL111111 0.0662 21 C -1.1182 -1.7287 -0.6758 C.3 1 UNL111111 0.0638 22 C -0.3278 -0.7141 -1.5331 C.3 1 UNL111111 0.0779 23 C 0.5907 -1.4668 1.2395 C.3 1 UNL111111 0.0759 24 C -0.1384 -2.4363 0.2935 C.3 1 UNL111111 0.0648 25 H 1.1607 0.8469 -1.3938 H 1 UNL111111 0.1545 26 H 1.4568 0.5104 1.2792 H 1 UNL111111 0.1764 27 H -1.6117 -2.4941 -1.3214 H 1 UNL111111 0.1562 28 H -0.9801 -0.2048 -2.2825 H 1 UNL111111 0.1625 29 H 1.3445 -2.0238 1.8504 H 1 UNL111111 0.1670 30 H 0.5961 -3.0358 -0.2988 H 1 UNL111111 0.1560 31 H 1.4336 -1.5588 -1.8979 H 1 UNL111111 0.3342 32 H -0.9498 -0.3737 1.8106 H 1 UNL111111 0.3415 33 H -1.3927 -2.9671 1.7115 H 1 UNL111111 0.3384 34 H 0.8108 3.6099 1.6275 H 1 UNL111111 0.3258 35 H -2.2829 2.3115 1.0084 H 1 UNL111111 0.3340 36 H 3.4597 1.5734 -1.0104 H 1 UNL111111 0.3261 37 H 4.2724 -1.8748 -1.2908 H 1 UNL111111 0.3055 38 H -2.7781 1.0961 -1.2553 H 1 UNL111111 0.3278 39 H -4.0123 -0.0367 1.8496 H 1 UNL111111 0.3288 @BOND 1 7 31 1 2 7 22 1 3 28 22 1 4 22 19 1 5 22 21 1 6 14 38 1 7 14 3 1 8 25 19 1 9 27 21 1 10 37 13 1 11 12 36 1 12 12 2 1 13 16 1 2 14 19 4 1 15 19 20 1 16 21 6 1 17 21 24 1 18 13 2 1 19 30 24 1 20 18 3 2 21 4 1 1 22 3 6 1 23 3 15 1 24 5 2 1 25 5 20 1 26 2 17 2 27 1 11 1 28 1 10 1 29 24 9 1 30 24 23 1 31 11 35 1 32 20 23 1 33 20 26 1 34 15 39 1 35 9 33 1 36 23 29 1 37 23 8 1 38 10 34 1 39 32 8 1