@MOLECULE 6-amino-9-(5-o-phosphonopentofuranosyl)-7h-purin-9-ium 38 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 3.9158 1.3085 -0.0133 P.3 1 UNL1 0.3440 2 O 0.7190 -1.0060 1.1765 O.3 1 UNL1 -0.3653 3 O -0.8635 -3.6299 0.5817 O.3 1 UNL1 -0.5368 4 O 1.3956 -3.6784 -0.6136 O.3 1 UNL1 -0.5334 5 O 2.3892 0.8833 0.0812 O.3 1 UNL1 -0.1772 6 O 4.6770 -0.0932 -0.0559 O.3 1 UNL1 -0.3279 7 O 4.1740 1.7903 -1.5215 O.3 1 UNL1 -0.4328 8 O 4.2316 2.2594 1.0375 O.2 1 UNL1 -0.2629 9 N -1.3028 -0.1105 0.4865 N.pl3 1 UNL1 -0.3777 10 N -1.8400 2.1415 0.4911 N.pl3 1 UNL1 -0.3677 11 N -3.4953 -0.9993 -0.2055 N.ar 1 UNL1 -0.5345 12 N -5.1613 0.7021 -0.6053 N.ar 1 UNL1 -0.5496 13 N -4.8022 2.9904 -0.2633 N.pl3 1 UNL1 -0.5803 14 C -0.6645 -2.4365 -0.1393 C.3 1 UNL1 0.0309 15 C -0.6243 -1.3305 0.9508 C.3 1 UNL1 0.2693 16 C 0.7696 -2.4358 -0.7464 C.3 1 UNL1 0.0638 17 C 1.5321 -1.3536 0.0541 C.3 1 UNL1 0.0237 18 C 1.7953 -0.0998 -0.7892 C.3 1 UNL1 -0.0827 19 C -2.6395 -0.0102 0.1390 C.ar 1 UNL1 0.3510 20 C -0.8365 1.1894 0.7841 C.3 1 UNL1 -0.0654 21 C -2.9940 1.3832 0.1446 C.ar 1 UNL1 -0.2244 22 C -4.2945 1.7109 -0.2586 C.ar 1 UNL1 0.4156 23 C -4.7372 -0.5743 -0.5524 C.ar 1 UNL1 0.2890 24 H -1.4635 -2.2922 -0.8917 H 1 UNL1 0.1655 25 H -1.0243 -1.6647 1.9413 H 1 UNL1 0.1759 26 H 0.7744 -2.2650 -1.8415 H 1 UNL1 0.1517 27 H 2.4583 -1.7517 0.5292 H 1 UNL1 0.1827 28 H 0.8439 0.4153 -1.0648 H 1 UNL1 0.1606 29 H 2.3400 -0.3527 -1.7184 H 1 UNL1 0.1470 30 H 0.1490 1.4161 1.1335 H 1 UNL1 0.2201 31 H -1.3329 -4.2911 0.0288 H 1 UNL1 0.3335 32 H 1.1935 -4.0727 0.2711 H 1 UNL1 0.3381 33 H -1.9600 2.9200 1.1242 H 1 UNL1 0.2912 34 H -5.4676 -1.3543 -0.8276 H 1 UNL1 0.1987 35 H -4.1721 3.7623 -0.3404 H 1 UNL1 0.3049 36 H -5.7301 3.1287 -0.6279 H 1 UNL1 0.3174 37 H 5.6553 0.0792 -0.3156 H 1 UNL1 0.3172 38 H 3.9194 2.7709 -1.6128 H 1 UNL1 0.3267 @BOND 1 26 16 1 2 29 18 1 3 38 7 1 4 7 1 1 5 28 18 1 6 24 14 1 7 34 23 1 8 18 17 1 9 18 5 1 10 16 4 1 11 16 14 1 12 16 17 1 13 36 13 1 14 4 32 1 15 12 23 ar 16 12 22 ar 17 23 11 ar 18 35 13 1 19 37 6 1 20 13 22 1 21 22 21 ar 22 11 19 ar 23 14 3 1 24 14 15 1 25 6 1 1 26 1 5 1 27 1 8 2 28 31 3 1 29 17 27 1 30 17 2 1 31 19 21 ar 32 19 9 1 33 21 10 1 34 9 20 1 35 9 15 1 36 10 20 1 37 10 33 1 38 20 30 1 39 15 2 1 40 15 25 1