@MOLECULE [(2r,3s,4r,5r)-5-(6-amino-8-oxo-7h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate 43 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -3.2675 1.0760 -0.1327 P.3 1 UNL1 0.3691 2 P -2.9993 -1.9792 -0.3830 P.3 1 UNL1 0.3841 3 O 1.2949 1.7264 1.5875 O.3 1 UNL1 -0.3680 4 O 2.3470 3.5168 -1.1595 O.3 1 UNL1 -0.5524 5 O 0.3614 4.4012 0.3186 O.3 1 UNL1 -0.5440 6 O -2.2298 1.4051 1.0212 O.3 1 UNL1 -0.1974 7 O 4.5583 1.2567 -1.0028 O.2 1 UNL1 -0.5139 8 O -3.4795 -0.4827 -0.2820 O.3 1 UNL1 -0.2652 9 O -2.4692 1.5114 -1.4442 O.3 1 UNL1 -0.3912 10 O -4.5597 1.6710 0.1399 O.2 1 UNL1 -0.1880 11 O -2.3638 -2.3234 1.0442 O.3 1 UNL1 -0.4263 12 O -1.7194 -2.0740 -1.3145 O.3 1 UNL1 -0.3017 13 O -4.1207 -2.7642 -0.8509 O.2 1 UNL1 -0.1827 14 N 2.6996 0.4552 0.1766 N.ar 1 UNL1 -0.5055 15 N 4.1840 -1.0369 -0.7036 N.ar 1 UNL1 -0.4800 16 N 1.0853 -1.1778 1.1013 N.ar 1 UNL1 -0.4969 17 N 1.6867 -3.4794 0.7199 N.ar 1 UNL1 -0.5379 18 N 3.6063 -4.1542 -0.4112 N.pl3 1 UNL1 -0.5765 19 C 1.5400 2.4723 -0.6855 C.3 1 UNL1 0.0229 20 C 2.2188 1.7985 0.5484 C.3 1 UNL1 0.2612 21 C 0.2349 3.0655 -0.0995 C.3 1 UNL1 0.0971 22 C 0.0053 2.2123 1.1657 C.3 1 UNL1 0.0376 23 C -0.8596 0.9622 0.9463 C.3 1 UNL1 -0.0628 24 C 2.2164 -0.8131 0.4689 C.ar 1 UNL1 0.3899 25 C 3.9198 0.3288 -0.5663 C.ar 1 UNL1 0.6736 26 C 3.1453 -1.7632 -0.0905 C.ar 1 UNL1 -0.2267 27 C 2.8450 -3.1277 0.0729 C.ar 1 UNL1 0.4282 28 C 0.8694 -2.5159 1.1813 C.ar 1 UNL1 0.2845 29 H 1.3396 1.7643 -1.5153 H 1 UNL1 0.1500 30 H 3.0934 2.3783 0.9500 H 1 UNL1 0.1739 31 H -0.6131 3.0588 -0.8170 H 1 UNL1 0.1766 32 H -0.3421 2.8301 2.0224 H 1 UNL1 0.1761 33 H -0.7552 0.2716 1.8192 H 1 UNL1 0.1712 34 H -0.5300 0.4203 0.0406 H 1 UNL1 0.1464 35 H 3.2452 3.1622 -1.3847 H 1 UNL1 0.3548 36 H 1.2156 4.7817 0.0166 H 1 UNL1 0.3420 37 H 4.9340 -1.4270 -1.2295 H 1 UNL1 0.3420 38 H -0.0647 -2.8431 1.6825 H 1 UNL1 0.2230 39 H 4.5230 -3.9975 -0.7635 H 1 UNL1 0.3097 40 H 3.3322 -5.1021 -0.2180 H 1 UNL1 0.3287 41 H -2.9722 1.1776 -2.2695 H 1 UNL1 0.3290 42 H -3.0021 -2.0345 1.7848 H 1 UNL1 0.3353 43 H -0.8733 -1.8885 -0.7627 H 1 UNL1 0.3105 @BOND 1 41 9 1 2 29 19 1 3 9 1 1 4 35 4 1 5 12 43 1 6 12 2 1 7 37 15 1 8 4 19 1 9 7 25 2 10 13 2 2 11 31 21 1 12 39 18 1 13 15 25 ar 14 15 26 ar 15 19 21 1 16 19 20 1 17 25 14 ar 18 18 40 1 19 18 27 1 20 2 8 1 21 2 11 1 22 8 1 1 23 1 10 2 24 1 6 1 25 21 5 1 26 21 22 1 27 26 27 ar 28 26 24 ar 29 36 5 1 30 34 23 1 31 27 17 ar 32 14 24 ar 33 14 20 1 34 24 16 ar 35 20 30 1 36 20 3 1 37 17 28 ar 38 23 6 1 39 23 22 1 40 23 33 1 41 11 42 1 42 16 28 ar 43 22 3 1 44 22 32 1 45 28 38 1