@MOLECULE (1s,2s,3s,4s,5r,6r)-3,5,6-trihydroxy-1,2,4-cyclohexanetriyl tris[dihydrogen (phosphate)] 39 39 0 0 0 SMALL USER_CHARGES @ATOM 1 P -0.9155 -2.7881 0.1982 P.3 1 UNL111111 0.3701 2 P 4.0759 0.3018 -0.0498 P.3 1 UNL111111 0.3723 3 P -3.3025 1.3769 0.2418 P.3 1 UNL111111 0.3642 4 O -0.6985 -1.2321 -0.0992 O.3 1 UNL111111 -0.2809 5 O 2.5553 0.1098 -0.5026 O.3 1 UNL111111 -0.3162 6 O -1.9056 0.7739 -0.2464 O.3 1 UNL111111 -0.2829 7 O -0.8328 -0.0142 -2.7032 O.3 1 UNL111111 -0.5425 8 O 0.2307 0.7093 2.2071 O.3 1 UNL111111 -0.5396 9 O 0.8755 3.1114 -0.3285 O.3 1 UNL111111 -0.5516 10 O -1.2735 -3.3499 -1.2519 O.3 1 UNL111111 -0.3998 11 O -2.3228 -2.6522 0.9198 O.3 1 UNL111111 -0.2904 12 O 4.7268 -1.1351 0.1010 O.3 1 UNL111111 -0.3117 13 O 3.9135 0.8144 1.4565 O.3 1 UNL111111 -0.4253 14 O -3.7810 0.1080 1.0935 O.3 1 UNL111111 -0.3665 15 O -4.1930 1.1990 -1.0650 O.3 1 UNL111111 -0.3160 16 O 0.0778 -3.5091 0.9718 O.2 1 UNL111111 -0.2870 17 O 4.7622 1.1364 -1.0136 O.2 1 UNL111111 -0.2113 18 O -3.3337 2.6611 0.9091 O.2 1 UNL111111 -0.2891 19 C 0.4568 -0.7102 -0.7652 C.3 1 UNL111111 0.0584 20 C 1.4251 -0.1598 0.3315 C.3 1 UNL111111 0.0436 21 C -0.8364 1.5325 -0.8320 C.3 1 UNL111111 0.0411 22 C -0.0647 0.4591 -1.6333 C.3 1 UNL111111 0.0914 23 C 0.9370 1.1192 1.0584 C.3 1 UNL111111 0.0591 24 C 0.0685 2.1256 0.2736 C.3 1 UNL111111 0.0521 25 H 0.9980 -1.4314 -1.4277 H 1 UNL111111 0.1611 26 H 1.6144 -0.9374 1.1122 H 1 UNL111111 0.1605 27 H -1.1689 2.3438 -1.5238 H 1 UNL111111 0.1601 28 H 0.8101 0.9393 -2.1485 H 1 UNL111111 0.1675 29 H 1.7962 1.6842 1.5105 H 1 UNL111111 0.1789 30 H -0.5282 2.7288 1.0085 H 1 UNL111111 0.1818 31 H -1.6519 -0.4460 -2.3678 H 1 UNL111111 0.3430 32 H -0.5550 0.1914 1.9425 H 1 UNL111111 0.3261 33 H 1.6450 2.7123 -0.7814 H 1 UNL111111 0.3269 34 H -0.9638 -4.3237 -1.3207 H 1 UNL111111 0.3281 35 H -2.9450 -2.0741 0.3231 H 1 UNL111111 0.3300 36 H 4.1444 -1.7129 0.7183 H 1 UNL111111 0.3138 37 H 4.6883 1.4312 1.7001 H 1 UNL111111 0.3328 38 H -2.9795 -0.2668 1.6147 H 1 UNL111111 0.3297 39 H -5.1733 1.3693 -0.7958 H 1 UNL111111 0.3180 @BOND 1 7 31 1 2 7 22 1 3 28 22 1 4 22 21 1 5 22 19 1 6 27 21 1 7 25 19 1 8 34 10 1 9 10 1 1 10 15 39 1 11 15 3 1 12 17 2 2 13 21 6 1 14 21 24 1 15 33 9 1 16 19 4 1 17 19 20 1 18 5 2 1 19 5 20 1 20 9 24 1 21 6 3 1 22 4 1 1 23 2 12 1 24 2 13 1 25 12 36 1 26 1 11 1 27 1 16 2 28 3 18 2 29 3 14 1 30 24 30 1 31 24 23 1 32 35 11 1 33 20 23 1 34 20 26 1 35 23 29 1 36 23 8 1 37 14 38 1 38 13 37 1 39 32 8 1