@MOLECULE [[(2s,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]amino] (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate 44 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 2.5855 1.7960 -0.9752 P.3 1 UNL1 0.3685 2 P 3.3404 -0.9688 0.0250 P.3 1 UNL1 0.3972 3 P 0.8206 -1.6004 1.6611 P.3 1 UNL1 0.4126 4 O -1.6355 1.8662 -0.9692 O.3 1 UNL1 -0.4759 5 O -3.8982 1.8550 1.7256 O.3 1 UNL1 -0.4874 6 O -2.4764 3.9326 1.0931 O.3 1 UNL1 -0.5499 7 O 0.9889 1.5864 -0.9818 O.3 1 UNL1 -0.1021 8 O -4.9515 -0.3114 -0.5231 O.2 1 UNL1 -0.4495 9 O 3.3101 0.6070 -0.2141 O.3 1 UNL1 -0.0856 10 O 2.7595 1.3821 -2.5158 O.3 1 UNL1 -0.3791 11 O 3.2048 3.0230 -0.5181 O.2 1 UNL1 -0.2268 12 O 1.8853 -1.0917 0.6399 O.3 1 UNL1 -0.2504 13 O 3.2091 -1.7692 -1.3341 O.3 1 UNL1 -0.3195 14 O 4.5364 -1.2785 0.7727 O.2 1 UNL1 -0.1711 15 O 1.5093 -1.7899 3.0718 O.3 1 UNL1 -0.2572 16 O 0.4365 -3.0898 1.2425 O.3 1 UNL1 -0.3962 17 O -0.2561 -0.6141 1.6287 O.2 1 UNL1 -0.3276 18 N -2.6740 -0.1776 -0.6680 N.ar 1 UNL1 -0.5038 19 N 0.4279 1.9959 0.2637 N.4 1 UNL1 -0.3494 20 N -3.8511 -2.2679 -1.0228 N.ar 1 UNL1 -0.6210 21 N -2.6680 -4.1904 -1.5210 N.pl3 1 UNL1 -0.5982 22 C -2.6552 1.5664 1.1807 C.3 1 UNL1 0.0607 23 C -1.6803 2.7782 1.2381 C.3 1 UNL1 0.0334 24 C -2.7470 1.2590 -0.3469 C.3 1 UNL1 0.2431 25 C -0.8439 2.6412 -0.0635 C.3 1 UNL1 0.1956 26 C -1.4970 -0.7523 -1.0401 C.ar 1 UNL1 0.2454 27 C -3.9385 -0.9296 -0.7245 C.ar 1 UNL1 0.7035 28 C -1.4476 -2.0879 -1.3794 C.ar 1 UNL1 -0.5428 29 C -2.6696 -2.8276 -1.3153 C.ar 1 UNL1 0.4964 30 H -2.2991 0.6970 1.7774 H 1 UNL1 0.1858 31 H -1.0787 2.8131 2.1641 H 1 UNL1 0.1540 32 H -3.6639 1.7008 -0.8191 H 1 UNL1 0.1801 33 H -0.6912 3.5929 -0.6216 H 1 UNL1 0.1709 34 H 0.3009 1.1102 0.7814 H 1 UNL1 0.2952 35 H -4.2322 2.7227 1.3867 H 1 UNL1 0.3321 36 H -2.1394 4.6701 1.6380 H 1 UNL1 0.3307 37 H -0.5913 -0.1210 -1.0771 H 1 UNL1 0.2023 38 H -0.5273 -2.5517 -1.7012 H 1 UNL1 0.1852 39 H -3.5486 -4.6715 -1.5675 H 1 UNL1 0.3157 40 H -1.9013 -4.6176 -1.9978 H 1 UNL1 0.2999 41 H 2.5483 2.1917 -3.1043 H 1 UNL1 0.3145 42 H 2.3836 -1.4411 -1.8479 H 1 UNL1 0.3199 43 H 1.7549 -2.7993 3.1662 H 1 UNL1 0.3127 44 H -0.4073 -3.0625 0.6552 H 1 UNL1 0.3380 @BOND 1 41 10 1 2 10 1 1 3 40 21 1 4 42 13 1 5 38 28 1 6 39 21 1 7 21 29 1 8 28 29 ar 9 28 26 ar 10 13 2 1 11 29 20 ar 12 37 26 1 13 26 18 ar 14 20 27 ar 15 7 1 1 16 7 19 1 17 1 11 2 18 1 9 1 19 4 24 1 20 4 25 1 21 32 24 1 22 27 18 ar 23 27 8 2 24 18 24 1 25 33 25 1 26 24 22 1 27 9 2 1 28 25 19 1 29 25 23 1 30 2 12 1 31 2 14 2 32 19 34 1 33 12 3 1 34 44 16 1 35 6 23 1 36 6 36 1 37 22 23 1 38 22 5 1 39 22 30 1 40 23 31 1 41 16 3 1 42 35 5 1 43 17 3 2 44 3 15 1 45 15 43 1