@MOLECULE (4as,6r,7r,7ar)-6-(6-{[(2r)-1-phenyl-2-propanyl]amino}-9h-purin-9-yl)tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide 53 57 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 5.1862 0.9085 -0.6311 P.3 1 UNL1 0.3484 2 O 1.5019 -0.2976 1.2823 O.3 1 UNL1 -0.3916 3 O 4.3464 -0.4518 -0.8886 O.3 1 UNL1 -0.2073 4 O 4.2432 1.9429 0.1646 O.3 1 UNL1 -0.2621 5 O 3.0493 -3.2071 0.3617 O.3 1 UNL1 -0.5078 6 O 6.2047 0.4120 0.4945 O.3 1 UNL1 -0.3887 7 O 5.7005 1.4976 -1.8500 O.2 1 UNL1 -0.2019 8 N 0.1142 -1.4894 -0.1626 N.ar 1 UNL1 -0.3775 9 N -1.2394 -0.6785 -1.8139 N.ar 1 UNL1 -0.3316 10 N -1.6527 -2.1013 1.4768 N.ar 1 UNL1 -0.5040 11 N -4.3065 -0.5237 -1.3893 N.pl3 1 UNL1 -0.4777 12 N -3.8781 -1.5278 0.7162 N.ar 1 UNL1 -0.5575 13 C 3.5053 -0.7933 0.2202 C.3 1 UNL1 0.0008 14 C 2.4698 0.3446 0.4634 C.3 1 UNL1 0.0101 15 C 2.5791 -1.9820 -0.1024 C.3 1 UNL1 0.0667 16 C 1.2756 -1.5843 0.6974 C.3 1 UNL1 0.2300 17 C 3.2165 1.5141 1.0925 C.3 1 UNL1 -0.0449 18 C -1.1958 -1.6168 0.2976 C.ar 1 UNL1 0.3054 19 C 0.0199 -0.8842 -1.4508 C.ar 1 UNL1 0.1278 20 C -2.0329 -1.1129 -0.7517 C.ar 1 UNL1 -0.2050 21 C -3.4255 -1.0427 -0.4782 C.ar 1 UNL1 0.4592 22 C -5.5408 0.1321 -0.9150 C.3 1 UNL1 0.1206 23 C -5.2871 1.6495 -0.6830 C.3 1 UNL1 -0.3381 24 C -2.9958 -2.0403 1.6074 C.ar 1 UNL1 0.2954 25 C -6.6281 -0.0682 -1.9754 C.3 1 UNL1 -0.4675 26 C -4.0584 1.8687 0.1457 C.ar 1 UNL1 -0.0037 27 C -4.0793 1.6085 1.5176 C.ar 1 UNL1 -0.1588 28 C -2.8716 2.2885 -0.4599 C.ar 1 UNL1 -0.1721 29 C -2.9142 1.7363 2.2699 C.ar 1 UNL1 -0.1426 30 C -1.7074 2.4151 0.2949 C.ar 1 UNL1 -0.1421 31 C -1.7250 2.1305 1.6588 C.ar 1 UNL1 -0.1566 32 H 4.0994 -1.0406 1.1371 H 1 UNL1 0.1552 33 H 1.9491 0.6739 -0.4693 H 1 UNL1 0.1552 34 H 2.4213 -2.1652 -1.1848 H 1 UNL1 0.1806 35 H 1.0570 -2.2569 1.5667 H 1 UNL1 0.1931 36 H 3.6394 1.2911 2.0889 H 1 UNL1 0.1401 37 H 2.6066 2.4404 1.1604 H 1 UNL1 0.1537 38 H 3.4334 -3.1405 1.2633 H 1 UNL1 0.3171 39 H 0.8927 -0.6652 -2.0488 H 1 UNL1 0.2019 40 H 7.1070 0.8718 0.3521 H 1 UNL1 0.3294 41 H -5.8573 -0.3466 0.0535 H 1 UNL1 0.1788 42 H -3.8992 -0.1467 -2.2438 H 1 UNL1 0.3211 43 H -5.2075 2.1741 -1.6550 H 1 UNL1 0.1541 44 H -6.1756 2.0888 -0.1871 H 1 UNL1 0.1600 45 H -3.4244 -2.4328 2.5465 H 1 UNL1 0.2017 46 H -7.5770 0.3716 -1.6522 H 1 UNL1 0.1503 47 H -6.3596 0.3794 -2.9381 H 1 UNL1 0.1500 48 H -6.8029 -1.1390 -2.1521 H 1 UNL1 0.1659 49 H -5.0009 1.2817 1.9958 H 1 UNL1 0.1568 50 H -2.8464 2.5017 -1.5266 H 1 UNL1 0.1544 51 H -2.9309 1.5170 3.3359 H 1 UNL1 0.1523 52 H -0.7823 2.7272 -0.1856 H 1 UNL1 0.1510 53 H -0.8122 2.2087 2.2450 H 1 UNL1 0.1521 @BOND 1 47 25 1 2 42 11 1 3 48 25 1 4 39 19 1 5 25 46 1 6 25 22 1 7 7 1 2 8 9 19 ar 9 9 20 ar 10 43 23 1 11 50 28 1 12 19 8 ar 13 11 22 1 14 11 21 1 15 34 15 1 16 22 23 1 17 22 41 1 18 3 1 1 19 3 13 1 20 20 21 ar 21 20 18 ar 22 23 44 1 23 23 26 1 24 1 4 1 25 1 6 1 26 21 12 ar 27 33 14 1 28 28 26 ar 29 28 30 ar 30 52 30 1 31 8 18 ar 32 8 16 1 33 15 13 1 34 15 5 1 35 15 16 1 36 26 27 ar 37 4 17 1 38 13 14 1 39 13 32 1 40 30 31 ar 41 18 10 ar 42 40 6 1 43 5 38 1 44 14 17 1 45 14 2 1 46 16 2 1 47 16 35 1 48 12 24 ar 49 17 37 1 50 17 36 1 51 10 24 ar 52 27 49 1 53 27 29 ar 54 24 45 1 55 31 53 1 56 31 29 ar 57 29 51 1