@MOLECULE 4-ammonio-2-oxo-1-{5-o-[(phosphonatooxy)phosphinato]pentofuranosyl}-1,2-dihydropyrimidin-1-iumato 25 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -3.9093 0.0517 0.7952 P.3 1 UNL1 0.4047 2 P -2.6573 2.4156 -0.8245 P.3 1 UNL1 0.3445 3 O 0.9139 -1.1700 -0.1434 O.2 1 UNL1 -0.1885 4 O -0.9747 -4.1625 -0.2223 O.2 1 UNL1 -0.3514 5 O 1.9071 -4.5808 -0.1209 O.2 1 UNL1 0.1655 6 O -2.5489 -0.7502 -0.3167 O.3 1 UNL1 -0.0473 7 O 4.0672 3.7165 1.5592 O.2 1 UNL1 -0.2662 8 O -3.6935 1.2783 -0.0150 O.3 1 UNL1 -0.0661 9 O -3.5003 -0.3519 2.1631 O.3 1 UNL1 -0.1566 10 O -4.9814 -0.9589 0.6347 O.2 1 UNL1 -0.1214 11 O -3.9691 2.9613 -1.1597 O.3 1 UNL1 -0.1483 12 O -1.7055 1.6680 -1.6917 O.2 1 UNL1 -0.2265 13 O -1.6149 2.9776 0.0770 O.3 1 UNL1 -0.1540 14 N 3.1664 -1.9089 -0.0306 N.2 1 UNL1 -0.3677 15 N 5.6074 2.3016 0.4242 N.2 1 UNL1 -0.5000 16 N 6.7633 0.8552 -0.9671 N.2 1 UNL1 -0.1885 17 C -0.1548 -3.2968 -0.1744 C.2 1 UNL1 0.5037 18 C 1.3297 -3.4736 -0.1095 C.2 1 UNL1 -0.2700 19 C -0.3160 -1.8412 -0.1849 C.3 1 UNL1 -0.2840 20 C 1.9104 -2.1452 -0.0888 C.2 1 UNL1 0.4361 21 C -1.4777 -1.2042 -0.2440 C.3 1 UNL1 0.5284 22 C 3.8666 -0.7922 -0.0783 C.1 1 UNL1 0.2129 23 C 4.6949 2.9168 0.9861 C.1 1 UNL1 0.5876 24 C 4.6930 0.1052 -0.1303 C.1 1 UNL1 -0.2434 25 C 5.7153 1.0778 -0.2498 C.2 1 UNL1 0.3964 @BOND 1 12 2 2 2 11 2 1 3 16 25 2 4 2 8 1 5 2 13 1 6 6 21 1 7 6 1 1 8 25 24 1 9 25 15 1 10 21 19 1 11 4 17 2 12 19 17 1 13 19 3 1 14 17 18 1 15 3 20 1 16 24 22 3 17 5 18 2 18 18 20 1 19 20 14 2 20 22 14 1 21 8 1 1 22 15 23 2 23 10 1 2 24 1 9 1 25 23 7 2