@MOLECULE (4ar,6r,7r,7as)-6-(6-amino-8-bromo-9h-purin-9-yl)-2-[(4,5-dimethoxy-2-nitrobenzyl)oxy]tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide 57 61 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR -6.2038 1.2741 1.2206 Br 1 UNL1 0.0943 2 P 1.4641 1.7485 -1.5445 P.3 1 UNL1 0.3268 3 O -2.8362 1.1653 -1.4309 O.3 1 UNL1 -0.4002 4 O 0.4979 1.8579 -0.2459 O.3 1 UNL1 -0.2347 5 O 0.5585 1.6181 -2.8683 O.3 1 UNL1 -0.2710 6 O -1.7162 2.7821 1.1550 O.3 1 UNL1 -0.5506 7 O 2.0206 0.2716 -1.2806 O.3 1 UNL1 -0.2407 8 O 2.3705 2.8752 -1.6594 O.2 1 UNL1 -0.2154 9 O 6.0763 2.1892 1.1743 O.3 1 UNL1 -0.2803 10 O 7.0858 -0.1905 2.3462 O.3 1 UNL1 -0.3170 11 O 4.3699 -3.6972 -0.0177 O.2 1 UNL1 -0.4064 12 O 4.1728 -2.8504 -1.9824 O.2 1 UNL1 -0.4227 13 N -3.7723 0.0270 0.3297 N.ar 1 UNL1 -0.3655 14 N -5.5325 -1.3938 0.7215 N.ar 1 UNL1 -0.3135 15 N -2.0986 -1.6945 -0.3516 N.ar 1 UNL1 -0.5156 16 N -2.9821 -3.9479 -0.3167 N.ar 1 UNL1 -0.5643 17 N -5.1797 -4.4624 0.3004 N.pl3 1 UNL1 -0.5433 18 N 4.4100 -2.7501 -0.7872 N.pl3 1 UNL1 0.6399 19 C -0.7265 1.1269 -0.3952 C.3 1 UNL1 -0.0010 20 C -1.5100 1.6381 -1.6348 C.3 1 UNL1 0.0228 21 C -1.7221 1.4438 0.7317 C.3 1 UNL1 0.0755 22 C -3.0966 1.2628 -0.0249 C.3 1 UNL1 0.2539 23 C -0.7920 1.0934 -2.8633 C.3 1 UNL1 -0.0412 24 C -3.3206 -1.2643 0.0439 C.ar 1 UNL1 0.3182 25 C -5.1309 -0.1322 0.7073 C.ar 1 UNL1 0.1771 26 C -4.4305 -2.1409 0.3053 C.ar 1 UNL1 -0.2160 27 C 3.2528 -0.1957 -1.8631 C.3 1 UNL1 -0.0287 28 C -4.2167 -3.5288 0.1006 C.ar 1 UNL1 0.4683 29 C 4.2941 -0.2532 -0.7733 C.ar 1 UNL1 0.0477 30 C -2.0042 -3.0338 -0.5120 C.ar 1 UNL1 0.3050 31 C 4.7952 -1.4552 -0.2590 C.ar 1 UNL1 -0.1111 32 C 4.7834 0.9396 -0.2397 C.ar 1 UNL1 -0.2238 33 C 5.7093 0.9434 0.8079 C.ar 1 UNL1 0.2134 34 C 5.7188 -1.4744 0.7979 C.ar 1 UNL1 -0.1788 35 C 6.1691 -0.2839 1.3408 C.ar 1 UNL1 0.0863 36 C 6.9295 2.3419 2.3034 C.3 1 UNL1 -0.1998 37 C 7.1919 -1.3262 3.1988 C.3 1 UNL1 -0.2016 38 H -0.8465 3.2032 0.9620 H 1 UNL1 0.3476 39 H -4.9892 -5.4342 0.1478 H 1 UNL1 0.3250 40 H -6.0931 -4.1826 0.6049 H 1 UNL1 0.3295 41 H -0.5465 0.0132 -0.4182 H 1 UNL1 0.2034 42 H -1.5923 2.7529 -1.6720 H 1 UNL1 0.1547 43 H -1.6246 0.8126 1.6341 H 1 UNL1 0.1621 44 H -3.7593 2.1504 0.1217 H 1 UNL1 0.1762 45 H -0.7905 -0.0121 -2.9187 H 1 UNL1 0.1531 46 H -1.1728 1.5069 -3.8194 H 1 UNL1 0.1474 47 H 3.6488 0.3480 -2.7476 H 1 UNL1 0.1551 48 H 2.9138 -1.2006 -2.2215 H 1 UNL1 0.1779 49 H -1.0226 -3.4267 -0.8377 H 1 UNL1 0.2074 50 H 4.4499 1.9130 -0.6195 H 1 UNL1 0.2109 51 H 6.0772 -2.4335 1.1828 H 1 UNL1 0.1896 52 H 7.0125 3.4354 2.3762 H 1 UNL1 0.1528 53 H 7.9116 1.8940 2.1143 H 1 UNL1 0.1468 54 H 6.4692 1.9270 3.2050 H 1 UNL1 0.1435 55 H 7.8426 -0.9511 4.0007 H 1 UNL1 0.1515 56 H 7.6734 -2.1594 2.6768 H 1 UNL1 0.1386 57 H 6.2139 -1.6132 3.5970 H 1 UNL1 0.1410 @BOND 1 46 23 1 2 45 23 1 3 5 23 1 4 5 2 1 5 23 20 1 6 47 27 1 7 48 27 1 8 12 18 2 9 27 7 1 10 27 29 1 11 42 20 1 12 8 2 2 13 20 3 1 14 20 19 1 15 2 7 1 16 2 4 1 17 3 22 1 18 49 30 1 19 18 31 1 20 18 11 2 21 29 31 ar 22 29 32 ar 23 50 32 1 24 30 15 ar 25 30 16 ar 26 41 19 1 27 19 4 1 28 19 21 1 29 15 24 ar 30 16 28 ar 31 31 34 ar 32 32 33 ar 33 22 44 1 34 22 13 1 35 22 21 1 36 24 26 ar 37 24 13 ar 38 28 17 1 39 28 26 ar 40 39 17 1 41 17 40 1 42 26 14 ar 43 13 25 ar 44 25 14 ar 45 25 1 1 46 21 6 1 47 21 43 1 48 34 51 1 49 34 35 ar 50 33 9 1 51 33 35 ar 52 38 6 1 53 9 36 1 54 35 10 1 55 53 36 1 56 36 52 1 57 36 54 1 58 10 37 1 59 56 37 1 60 37 57 1 61 37 55 1