@MOLECULE adenosine 2',5'-bis(dihydrogen phosphate) 42 44 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.4175 -0.0880 -0.7428 C.3 1 UNL111 0.2453 2 C 0.3014 -1.3060 0.2343 C.3 1 UNL111 0.0433 3 C -1.1672 -1.7831 0.0409 C.3 1 UNL111 0.0743 4 C -1.8788 -0.5534 -0.5638 C.3 1 UNL111 0.0316 5 C 0.5366 2.1064 0.6233 C.ar 1 UNL111 0.1458 6 C 4.5796 1.3605 -1.0877 C.ar 1 UNL111 0.3054 7 C -2.7518 0.2198 0.4364 C.3 1 UNL111 -0.0301 8 H -0.4750 -3.0236 -1.3400 H 1 UNL111 0.3397 9 H 5.1779 4.7876 0.6369 H 1 UNL111 0.3249 10 H 3.5731 4.9320 1.2669 H 1 UNL111 0.3292 11 C 3.9156 3.2306 0.1746 C.ar 1 UNL111 0.4670 12 O 2.0395 -3.5041 1.8276 O.2 1 UNL111 -0.2575 13 O -5.7866 -0.4735 1.0424 O.2 1 UNL111 -0.2405 14 O -1.3158 -2.8481 -0.8595 O.3 1 UNL111 -0.5372 15 O 3.5622 -1.9687 0.4842 O.3 1 UNL111 -0.2693 16 O 2.7528 -3.9956 -0.6562 O.3 1 UNL111 -0.2975 17 O -6.0840 0.7336 -1.2745 O.3 1 UNL111 -0.3404 18 O -5.6526 2.0352 0.7711 O.3 1 UNL111 -0.2923 19 O 1.1590 -2.2791 -0.3164 O.3 1 UNL111 -0.3850 20 O -3.8634 0.6456 -0.3661 O.3 1 UNL111 -0.3521 21 H 3.4462 -1.3105 -0.3171 H 1 UNL111 0.3473 22 H 2.1718 -4.8389 -0.5470 H 1 UNL111 0.3128 23 H -5.6738 0.0363 -1.9067 H 1 UNL111 0.3220 24 H -5.4301 2.7479 0.0614 H 1 UNL111 0.3130 25 O -0.8822 0.3513 -1.0530 O.3 1 UNL111 -0.4168 26 N 4.2531 4.4155 0.7412 N.pl3 1 UNL111 -0.5445 27 N 1.4299 3.0565 0.8882 N.ar 1 UNL111 -0.3449 28 N 3.3946 0.7127 -1.0323 N.ar 1 UNL111 -0.5384 29 N 4.8757 2.5603 -0.5359 N.ar 1 UNL111 -0.5709 30 P 2.3618 -2.9866 0.5141 P.3 1 UNL111 0.3698 31 P -5.3834 0.5982 0.1557 P.3 1 UNL111 0.3560 32 C 2.4248 1.3933 -0.3673 C.ar 1 UNL111 0.2895 33 C 2.6211 2.6570 0.2849 C.ar 1 UNL111 -0.2016 34 N 1.1022 1.0471 -0.1335 N.ar 1 UNL111 -0.3675 35 H 0.9231 -0.3536 -1.7109 H 1 UNL111 0.1840 36 H 0.4865 -1.0079 1.2901 H 1 UNL111 0.1593 37 H -1.6289 -2.1579 0.9775 H 1 UNL111 0.1586 38 H -2.4561 -0.8327 -1.4799 H 1 UNL111 0.1838 39 H -0.5031 2.1060 0.9168 H 1 UNL111 0.2031 40 H -2.9963 -0.3926 1.3267 H 1 UNL111 0.1426 41 H -2.2514 1.1558 0.7678 H 1 UNL111 0.1365 42 H 5.3978 0.8602 -1.6367 H 1 UNL111 0.2020 @BOND 1 23 17 1 2 35 1 1 3 42 6 1 4 38 4 1 5 8 14 1 6 17 31 1 7 6 28 ar 8 6 29 ar 9 25 1 1 10 25 4 1 11 28 32 ar 12 14 3 1 13 1 34 1 14 1 2 1 15 16 22 1 16 16 30 1 17 4 3 1 18 4 7 1 19 29 11 ar 20 32 34 ar 21 32 33 ar 22 20 31 1 23 20 7 1 24 21 15 1 25 19 2 1 26 19 30 1 27 34 5 ar 28 3 2 1 29 3 37 1 30 24 18 1 31 31 18 1 32 31 13 2 33 11 33 ar 34 11 26 1 35 2 36 1 36 33 27 ar 37 7 41 1 38 7 40 1 39 15 30 1 40 30 12 2 41 5 27 ar 42 5 39 1 43 9 26 1 44 26 10 1