@MOLECULE (6e)-9-[5-o-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-d-ribofuranosyl]-1-(5-o-phosphono-d-ribofuranosyl)-1,9-dihydro-6h-purin-6-imine 45 48 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 2.7907 -1.4747 1.9993 P.3 1 UNL1 0.4745 2 P -7.0441 1.4860 -0.8318 P.3 1 UNL1 0.3799 3 P 1.0377 -2.4861 -0.2408 P.3 1 UNL1 0.4973 4 P 2.6741 -1.3448 -2.5033 P.3 1 UNL1 0.4835 5 O4* 3.4261 1.0414 0.2129 O.2 1 UNL1 -0.0888 6 O -3.7465 -0.0516 0.2021 O.3 1 UNL1 0.2024 7 O2* 4.4274 4.4060 0.5171 O.2 1 UNL1 -0.2312 8 O3* 6.6644 2.4838 0.1055 O.2 1 UNL1 -0.3693 9 O -1.7163 -2.3827 1.7917 O.2 1 UNL1 -0.2292 10 O -4.4906 -3.3518 1.2813 O.2 1 UNL1 -0.3706 11 O5* 5.9289 -1.2728 -0.1662 O.2 1 UNL1 -0.1430 12 O -7.0070 -1.4546 0.1650 O.2 1 UNL1 -0.4329 13 O 2.1989 -2.1061 0.7154 O.3 1 UNL1 -0.1915 14 O 1.9222 -1.0632 3.0493 O.2 1 UNL1 -0.1387 15 O -6.1339 0.6439 0.1150 O.3 1 UNL1 -0.3410 16 O -7.7732 0.8058 -1.8605 O.2 1 UNL1 -0.1707 17 O 4.2099 -1.5076 1.7724 O.2 1 UNL1 -0.2065 18 O -6.8771 2.8586 -0.4389 O.2 1 UNL1 -0.1552 19 O 1.5850 -2.0534 -1.6325 O.3 1 UNL1 -0.1456 20 O -0.1973 -1.4352 -0.0036 O.2 1 UNL1 -0.2712 21 O 0.3854 -3.7611 -0.2179 O.2 1 UNL1 -0.0930 22 O 1.9962 -1.1579 -3.7512 O.2 1 UNL1 -0.1638 23 O 4.1223 -1.8820 -2.2547 O.3 1 UNL1 -0.0814 24 O 3.7081 -0.4066 -1.8073 O.3 1 UNL1 -0.0653 25 N 1.9042 2.8076 0.3707 N.2 1 UNL1 -0.4173 26 N -1.4932 0.3741 0.3284 N.pl3 1 UNL1 -0.4407 27 N 0.8940 0.6517 0.1560 N.2 1 UNL1 -0.5468 28 N -0.6876 3.9779 0.3463 N.1 1 UNL1 -0.5189 29 N -2.9316 2.1176 -0.0334 N.2 1 UNL1 -0.5378 30 C1* 3.1071 2.3680 0.3315 C.2 1 UNL1 0.2877 31 C2* 4.3540 3.2306 0.3693 C.2 1 UNL1 0.2960 32 C3* 5.4989 2.2170 0.1749 C.2 1 UNL1 0.3892 33 C4* 4.8363 0.9418 0.1020 C.2 1 UNL1 -0.3852 34 C -2.5479 -0.4695 0.5243 C.3 1 UNL1 0.1998 35 C -2.5909 -1.8740 1.1853 C.2 1 UNL1 0.2895 36 C -4.1026 -2.2581 0.9883 C.2 1 UNL1 0.4213 37 C -4.6761 -1.0822 0.4753 C.3 1 UNL1 -0.5038 38 C5* 5.3720 -0.2775 -0.0233 C.1 1 UNL1 0.6032 39 C 0.7519 2.0311 0.2818 C.2 1 UNL1 0.3897 40 C -6.0389 -0.7503 0.2135 C.2 1 UNL1 0.6799 41 C -0.4963 2.6248 0.2776 C.3 1 UNL1 -0.0716 42 C -1.7130 1.8030 0.1674 C.2 1 UNL1 0.3705 43 C -0.7404 5.1602 0.4212 C.1 1 UNL1 0.3614 44 C -0.1498 -0.1347 0.1611 C.2 1 UNL1 0.6573 45 H -3.2932 3.0499 -0.1088 H 1 UNL1 0.3278 @BOND 1 22 4 2 2 4 23 1 3 4 24 1 4 4 19 1 5 23 24 1 6 16 2 2 7 19 3 1 8 2 18 2 9 2 15 1 10 3 21 2 11 3 20 1 12 3 13 1 13 11 38 2 14 45 29 1 15 29 42 2 16 38 33 2 17 20 44 1 18 33 32 1 19 33 5 1 20 8 32 2 21 15 40 1 22 27 44 2 23 27 39 2 24 44 26 1 25 12 40 2 26 42 41 1 27 42 26 1 28 32 31 1 29 6 37 1 30 6 34 1 31 5 30 1 32 40 37 1 33 41 39 1 34 41 28 1 35 39 25 1 36 26 34 1 37 30 31 1 38 30 25 2 39 28 43 3 40 31 7 2 41 37 36 1 42 34 35 1 43 13 1 1 44 36 35 1 45 36 10 2 46 35 9 2 47 17 1 2 48 1 14 2