@MOLECULE [(2s,5r)-5-{6,8-diamino-1-[(2r,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2,5-dihydro-2-furanyl]-1,2-dihydro-9h-purin-9-yl}-4-hydroxy-2,5-dihydro-2-furanyl]methyl trihydrogen diphosphate 58 61 0 0 0 SMALL GASTEIGER @ATOM 1 P -0.7619 3.0635 1.2820 P.3 1 UNL1111111111 0.3764 2 P -0.1882 2.5203 -1.7103 P.3 1 UNL1111111111 0.3917 3 O -3.4389 -0.2009 0.9316 O.3 1 UNL1111111111 -0.4267 4 O4* 3.4084 -2.4536 0.5853 O.3 1 UNL1111111111 -0.3937 5 O2* 3.0451 0.0287 -2.0177 O.2 1 UNL1111111111 -0.4800 6 O -3.1532 -3.6808 1.6550 O.2 1 UNL1111111111 -0.4608 7 O3* 4.0809 1.1087 0.6396 O.2 1 UNL1111111111 -0.4185 8 O -1.5658 1.8698 1.9337 O.3 1 UNL1111111111 -0.2344 9 O5* 3.7264 0.1150 3.1007 O.3 1 UNL1111111111 -0.5764 10 O -0.6872 2.9264 -0.2848 O.3 1 UNL1111111111 -0.2843 11 O 0.7457 2.9524 1.7875 O.3 1 UNL1111111111 -0.3803 12 O -1.4450 4.2923 1.6333 O.2 1 UNL1111111111 -0.1295 13 O 0.9398 3.5647 -2.0818 O.3 1 UNL1111111111 -0.2538 14 O 0.7044 1.2148 -1.4254 O.3 1 UNL1111111111 -0.5181 15 O -1.2664 2.4340 -2.6698 O.2 1 UNL1111111111 -0.1603 16 N 1.5368 -2.3629 -0.8205 N.pl3 1 UNL1111111111 -0.5714 17 N -2.5301 -1.7404 -0.6144 N.ar 1 UNL1111111111 -0.4649 18 N -0.5762 -2.6428 0.5567 N.2 1 UNL1111111111 -0.6368 19 N -1.5116 -1.1714 -2.6029 N.ar 1 UNL1111111111 -0.4100 20 N 1.4052 -1.7875 -3.1386 N.pl3 1 UNL1111111111 -0.5693 21 N -3.8743 -0.5770 -2.3210 N.pl3 1 UNL1111111111 -0.5748 22 C1* 2.9912 -2.0798 -0.7318 C.3 1 UNL1111111111 0.2972 23 C -3.4693 -1.5513 0.4682 C.3 1 UNL1111111111 0.2655 24 C -1.1748 -2.0913 -0.4743 C.ar 1 UNL1111111111 0.4122 25 C -0.5617 -1.7448 -1.7331 C.ar 1 UNL1111111111 -0.3545 26 C 0.8081 -1.9583 -1.9116 C.2 1 UNL1111111111 0.5140 27 C 0.8447 -2.9231 0.4069 C.3 1 UNL1111111111 0.1632 28 C -2.6760 -0.1151 2.1457 C.3 1 UNL1111111111 0.1208 29 C4* 3.9162 -1.3035 1.2856 C.3 1 UNL1111111111 0.0329 30 C2* 3.2957 -0.6037 -0.8561 C.2 1 UNL1111111111 0.0029 31 C -3.0191 -2.3471 1.6944 C.2 1 UNL1111111111 0.2403 32 C -2.6349 -1.1076 -1.9139 C.ar 1 UNL1111111111 0.4371 33 C3* 3.7833 -0.1541 0.3147 C.2 1 UNL1111111111 0.1259 34 C -2.5883 -1.5231 2.6622 C.2 1 UNL1111111111 -0.3506 35 C -1.2866 0.4649 1.8191 C.3 1 UNL1111111111 -0.0617 36 C5* 3.0759 -1.0276 2.5415 C.3 1 UNL1111111111 -0.0309 37 H1* 3.5391 -2.7669 -1.4187 H 1 UNL1111111111 0.1659 38 H -4.5135 -1.7134 0.1164 H 1 UNL1111111111 0.1798 39 H 1.3574 -2.5269 1.3148 H 1 UNL1111111111 0.1451 40 H 0.9881 -4.0347 0.3476 H 1 UNL1111111111 0.1474 41 H -3.2798 0.5758 2.7769 H 1 UNL1111111111 0.1678 42 H4* 4.9674 -1.5577 1.5432 H 1 UNL1111111111 0.1737 43 H -2.2054 -1.7582 3.6292 H 1 UNL1111111111 0.1744 44 H -0.9471 0.1209 0.8260 H 1 UNL1111111111 0.1456 45 H -0.5395 0.1798 2.5817 H 1 UNL1111111111 0.1213 46 H5*1 3.1256 -1.8531 3.2715 H 1 UNL1111111111 0.1428 47 H5*2 2.0231 -0.7937 2.3044 H 1 UNL1111111111 0.1432 48 H 0.7887 -1.4205 -3.8650 H 1 UNL1111111111 0.3310 49 H 2.3650 -1.4759 -3.2024 H 1 UNL1111111111 0.3198 50 H -4.1990 0.1448 -1.6818 H 1 UNL1111111111 0.2947 51 H -3.8607 -0.2466 -3.2803 H 1 UNL1111111111 0.2963 52 H2* 2.3213 0.7184 -1.8708 H 1 UNL1111111111 0.3764 53 H -2.2555 -4.1030 1.7960 H 1 UNL1111111111 0.3589 54 H3* 4.1722 1.1702 1.6420 H 1 UNL1111111111 0.3536 55 H5* 3.1300 0.5522 3.7497 H 1 UNL1111111111 0.3394 56 H 1.2340 2.2237 1.2746 H 1 UNL1111111111 0.3145 57 H 1.5893 3.6332 -1.2765 H 1 UNL1111111111 0.3131 58 H 0.1192 0.3847 -1.4197 H 1 UNL1111111111 0.3568 @BOND 1 1 8 1 2 1 10 1 3 1 11 1 4 1 12 2 5 2 10 1 6 2 13 1 7 2 14 1 8 2 15 2 9 3 23 1 10 3 28 1 11 4 22 1 12 4 29 1 13 5 30 1 14 5 52 1 15 6 31 1 16 6 53 1 17 7 33 1 18 7 54 1 19 8 35 1 20 9 36 1 21 9 55 1 22 11 56 1 23 13 57 1 24 14 58 1 25 16 22 1 26 16 26 1 27 16 27 1 28 17 23 1 29 17 24 ar 30 17 32 ar 31 18 24 2 32 18 27 1 33 19 25 ar 34 19 32 ar 35 20 26 1 36 20 48 1 37 20 49 1 38 21 32 1 39 21 50 1 40 21 51 1 41 22 30 1 42 22 37 1 43 23 31 1 44 23 38 1 45 24 25 ar 46 25 26 2 47 27 39 1 48 27 40 1 49 28 34 1 50 28 35 1 51 28 41 1 52 29 33 1 53 29 36 1 54 29 42 1 55 30 33 2 56 31 34 2 57 34 43 1 58 35 44 1 59 35 45 1 60 36 46 1 61 36 47 1