@MOLECULE [(2s,3s,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-3-hydroxytetrahydro-2-furanyl]methylene bis[dihydrogen (phosphate)] 43 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -1.0319 -1.7255 -1.2326 P.3 1 UNL1 0.4074 2 P -4.2241 -0.0340 0.6835 P.3 1 UNL1 0.3964 3 O 0.3926 1.6210 1.0282 O.3 1 UNL1 -0.4535 4 O -1.7000 3.6122 -0.6842 O.3 1 UNL1 -0.5713 5 O -0.7730 -0.3388 -0.4857 O.3 1 UNL1 -0.3765 6 O -2.8414 0.4884 0.0682 O.3 1 UNL1 -0.3612 7 O 0.3206 -1.7734 -2.0486 O.3 1 UNL1 -0.2368 8 O -0.7701 -2.7335 -0.0110 O.3 1 UNL1 -0.4670 9 O -3.7502 -1.2627 1.5883 O.3 1 UNL1 -0.4079 10 O -4.8939 -0.6758 -0.5881 O.3 1 UNL1 -0.2731 11 O -2.2299 -1.9376 -2.0172 O.2 1 UNL1 -0.2565 12 O -5.0092 1.0158 1.2972 O.2 1 UNL1 -0.2478 13 O 6.0436 -1.1591 0.0746 O.2 1 UNL1 -0.3798 14 N 2.4903 1.8337 0.0660 N.ar 1 UNL1 -0.3818 15 N 2.0083 -0.5598 0.6064 N.ar 1 UNL1 -0.5332 16 N 4.7242 1.6215 -0.3016 N.ar 1 UNL1 -0.2561 17 N 3.9986 -1.9323 0.6924 N.ar 1 UNL1 -0.6329 18 N 1.9434 -2.7629 1.4697 N.pl3 1 UNL1 -0.6029 19 C -0.9593 1.7020 0.5885 C.3 1 UNL1 0.0023 20 C -0.9883 2.3962 -0.7894 C.3 1 UNL1 0.1551 21 C 1.2042 2.4983 0.2537 C.3 1 UNL1 0.3220 22 C 0.4713 2.7743 -1.0700 C.3 1 UNL1 -0.3755 23 C -1.5416 0.2499 0.5494 C.3 1 UNL1 0.3745 24 C 2.8224 0.5068 0.2776 C.ar 1 UNL1 0.2520 25 C 3.7092 2.4823 -0.2912 C.ar 1 UNL1 0.0601 26 C 4.2156 0.3852 0.0508 C.ar 1 UNL1 -0.1912 27 C 4.8836 -0.9041 0.2501 C.ar 1 UNL1 0.6183 28 C 2.7213 -1.7561 0.9054 C.ar 1 UNL1 0.5732 29 H -1.4888 2.3003 1.3660 H 1 UNL1 0.1700 30 H -1.4508 1.7869 -1.5945 H 1 UNL1 0.1650 31 H 1.3591 3.4154 0.8808 H 1 UNL1 0.1533 32 H 0.8827 2.1798 -1.9069 H 1 UNL1 0.1815 33 H 0.5470 3.8374 -1.3717 H 1 UNL1 0.1843 34 H -1.4182 -0.3030 1.5075 H 1 UNL1 0.1409 35 H -2.6564 3.4258 -0.5526 H 1 UNL1 0.3368 36 H 3.7532 3.5315 -0.5211 H 1 UNL1 0.1944 37 H 1.0522 -0.3816 0.9048 H 1 UNL1 0.3533 38 H 1.0761 -1.4189 -1.4301 H 1 UNL1 0.3219 39 H -1.3630 -3.5510 -0.1012 H 1 UNL1 0.3388 40 H -4.3437 -1.3162 2.4163 H 1 UNL1 0.3273 41 H -4.1692 -1.2135 -1.1099 H 1 UNL1 0.3429 42 H 2.3958 -3.6636 1.5583 H 1 UNL1 0.3193 43 H 0.9701 -2.8030 1.2181 H 1 UNL1 0.3142 @BOND 1 7 38 1 2 7 1 1 3 11 1 2 4 32 22 1 5 30 20 1 6 33 22 1 7 1 5 1 8 1 8 1 9 41 10 1 10 22 20 1 11 22 21 1 12 20 4 1 13 20 19 1 14 4 35 1 15 10 2 1 16 36 25 1 17 5 23 1 18 16 25 ar 19 16 26 ar 20 25 14 ar 21 39 8 1 22 26 27 ar 23 26 24 ar 24 14 21 1 25 14 24 ar 26 6 23 1 27 6 2 1 28 13 27 2 29 27 17 ar 30 21 31 1 31 21 3 1 32 24 15 ar 33 23 19 1 34 23 34 1 35 19 3 1 36 19 29 1 37 15 37 1 38 15 28 ar 39 2 12 2 40 2 9 1 41 17 28 ar 42 28 18 1 43 43 18 1 44 18 42 1 45 9 40 1