@MOLECULE (4ar,6r,7r,7as)-6-(6,8-diamino-9h-purin-9-yl)tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide 36 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.3848 0.6411 0.8059 C.3 1 UNL1 0.2561 2 C -1.7155 0.2937 -0.3107 C.3 1 UNL1 0.0219 3 C -0.4843 1.2168 -0.3900 C.3 1 UNL1 0.0589 4 C -1.7858 0.0507 1.2224 C.3 1 UNL1 0.0251 5 C 4.5022 1.9179 0.0526 C.ar 1 UNL1 0.2886 6 H -0.1061 3.1348 -0.1909 H 1 UNL1 0.3244 7 H -0.2039 -2.1013 0.6146 H 1 UNL1 0.3111 8 H 0.7906 -3.3512 0.0161 H 1 UNL1 0.3110 9 H 6.9035 -0.9832 -0.9236 H 1 UNL1 0.3230 10 H 5.6834 -2.2099 -0.8757 H 1 UNL1 0.3287 11 C 1.6662 -1.5170 0.0664 C.ar 1 UNL1 0.4529 12 C 5.0177 -0.3259 -0.4243 C.ar 1 UNL1 0.4537 13 O -5.4730 0.7388 -0.5952 O.2 1 UNL1 -0.1982 14 C -2.7873 -1.0687 1.4849 C.3 1 UNL1 -0.0532 15 O -0.8641 2.5195 -0.0513 O.3 1 UNL1 -0.5027 16 O -3.9566 -1.2071 -1.5041 O.3 1 UNL1 -0.3951 17 H -4.8510 -1.6128 -1.7837 H 1 UNL1 0.3275 18 O -0.4343 -0.2594 1.5658 O.3 1 UNL1 -0.4415 19 O -2.9174 0.9188 -0.7840 O.3 1 UNL1 -0.1466 20 O -4.0678 -0.6663 0.9516 O.3 1 UNL1 -0.2710 21 N 0.5734 -2.3655 0.0270 N.pl3 1 UNL1 -0.5832 22 N 5.9515 -1.2502 -0.7713 N.pl3 1 UNL1 -0.5559 23 N 2.9318 -1.8487 -0.2414 N.ar 1 UNL1 -0.4366 24 N 3.1855 1.7209 0.2926 N.ar 1 UNL1 -0.5132 25 N 5.4135 0.9777 -0.2904 N.ar 1 UNL1 -0.5592 26 C 2.7977 0.4287 0.1685 C.ar 1 UNL1 0.2761 27 C 3.6570 -0.6544 -0.1959 C.ar 1 UNL1 -0.1621 28 N 1.5230 -0.1181 0.3278 N.ar 1 UNL1 -0.4291 29 P -4.2240 0.0109 -0.5045 P.3 1 UNL1 0.3358 30 H 0.7224 1.4489 1.5063 H 1 UNL1 0.1808 31 H -1.4741 -0.6395 -0.8895 H 1 UNL1 0.1650 32 H 0.0364 1.1960 -1.3633 H 1 UNL1 0.1518 33 H -2.0516 0.9789 1.7889 H 1 UNL1 0.1737 34 H -2.4781 -2.0518 1.0864 H 1 UNL1 0.1314 35 H -3.0417 -1.1823 2.5606 H 1 UNL1 0.1509 36 H 4.8765 2.9520 0.1441 H 1 UNL1 0.1993 @BOND 1 17 16 1 2 16 29 1 3 32 3 1 4 9 22 1 5 31 2 1 6 10 22 1 7 19 29 1 8 19 2 1 9 22 12 1 10 13 29 2 11 29 20 1 12 12 25 ar 13 12 27 ar 14 3 2 1 15 3 15 1 16 3 1 1 17 2 4 1 18 25 5 ar 19 23 27 ar 20 23 11 ar 21 27 26 ar 22 6 15 1 23 8 21 1 24 21 11 1 25 21 7 1 26 5 36 1 27 5 24 ar 28 11 28 ar 29 26 24 ar 30 26 28 ar 31 28 1 1 32 1 30 1 33 1 18 1 34 20 14 1 35 34 14 1 36 4 14 1 37 4 18 1 38 4 33 1 39 14 35 1