@MOLECULE 3-(2-deoxy-5-o-phosphonopentofuranosyl)-9-{2-[(diaminomethylene)ammonio]ethoxy}-3h-pyrimido[5,4-b][1,4]benzoxazin-2(10h)-one 34 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 6.7652 0.2770 2.1964 P.3 1 UNL1 0.3845 2 O 3.1928 -0.5077 -0.9896 O.2 1 UNL1 -0.2166 3 O 5.9524 -1.9990 -2.6555 O.2 1 UNL1 -0.3615 4 O 5.7699 -1.0529 1.1634 O.3 1 UNL1 -0.0547 5 O -0.4154 2.1885 -0.9096 O.3 1 UNL1 -0.1335 6 O -1.7833 -3.3371 0.8690 O.2 1 UNL1 -0.2122 7 O 6.1683 -0.2353 3.3943 O.3 1 UNL1 -0.2030 8 O 6.4536 1.4898 1.4039 O.2 1 UNL1 -0.1704 9 O -4.9778 1.5110 0.7355 O.3 1 UNL1 -0.2783 10 O 8.0797 -0.0007 1.5703 O.3 1 UNL1 -0.1348 11 N 1.4619 -0.1834 -2.5594 N.pl3 1 UNL1 -0.2246 12 N -0.9176 -1.3524 -0.1455 N.2 1 UNL1 -0.5346 13 N -2.4456 0.4145 0.1128 N.2 1 UNL1 -0.4170 14 N -7.3235 -0.8719 0.9626 N.1 1 UNL1 -0.2049 15 N -10.2767 -2.2080 1.8998 N.pl3 1 UNL1 -0.0600 16 N -9.7062 -2.9334 -0.3975 N.1 1 UNL1 -0.0804 17 C 4.9147 -1.4960 -2.3368 C.2 1 UNL1 0.4730 18 C 4.5070 -1.0233 -0.9819 C.3 1 UNL1 -0.3047 19 C 3.7084 -1.1717 -3.0723 C.2 1 UNL1 -0.0715 20 C 2.7424 -0.6198 -2.3291 C.2 1 UNL1 0.2622 21 C 5.1793 -1.0208 0.1570 C.3 1 UNL1 0.5114 22 C 0.6737 0.3290 -1.7699 C.3 1 UNL1 0.2494 23 C -1.4946 -2.3060 0.4219 C.1 1 UNL1 0.6359 24 C -0.3138 0.8012 -1.0260 C.3 1 UNL1 -0.0726 25 C -1.2941 -0.0349 -0.3212 C.2 1 UNL1 0.4484 26 C -2.7070 1.7670 -0.0988 C.ar 1 UNL1 0.0410 27 C -1.6730 2.6183 -0.5974 C.ar 1 UNL1 0.1086 28 C -3.9887 2.3156 0.2004 C.ar 1 UNL1 0.1462 29 C -2.0616 3.9272 -0.6841 C.ar 1 UNL1 -0.0247 30 C -4.2121 3.6656 0.0404 C.ar 1 UNL1 0.0560 31 C -3.2080 4.4607 -0.4012 C.ar 1 UNL1 -0.0146 32 C -5.5359 0.6895 -0.1341 C.3 1 UNL1 0.3799 33 C -6.5226 -0.1399 0.5631 C.1 1 UNL1 -0.0624 34 C -9.9831 -2.5671 0.7513 C.1 1 UNL1 0.1403 @BOND 1 19 17 1 2 19 20 2 3 3 17 2 4 11 20 1 5 11 22 1 6 17 18 1 7 20 2 1 8 22 24 1 9 24 5 1 10 24 25 1 11 2 18 1 12 18 21 1 13 5 27 1 14 29 27 ar 15 29 31 ar 16 27 26 ar 17 31 30 ar 18 16 34 3 19 25 12 1 20 25 13 2 21 12 23 2 22 32 33 1 23 32 9 1 24 26 13 1 25 26 28 ar 26 30 28 ar 27 21 4 1 28 28 9 1 29 23 6 2 30 33 14 3 31 34 15 1 32 4 1 1 33 8 1 2 34 10 1 1 35 1 7 1