@MOLECULE [(2r,3s,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-3-hydroxytetrahydro-2-furanyl]methyl (2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-2-(hydroxymethyl)tetrahydro-3-furanyl hydrogen phosphate (non-preferred name) 65 70 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 2.0582 -3.0654 0.1282 P.3 2 G2 0.3645 2 O4* -2.1708 -2.1197 -0.8901 O.3 1 A1 -0.4429 3 O4* 4.2192 0.6922 -0.3150 O.3 2 G2 -0.4216 4 O3* 0.6919 -2.2409 0.2343 O.3 1 A1 -0.2963 5 O5* 3.0422 -1.7977 0.0500 O.3 2 G2 -0.2807 6 O3* 6.3517 0.6425 2.0917 O.3 2 G2 -0.5449 7 O5* -2.6404 -5.2248 -1.0981 O.3 1 A1 -0.5312 8 O1P 2.0095 -3.3787 -1.4345 O.3 2 G2 -0.3184 9 O2P 2.3524 -4.1318 1.0577 O.2 2 G2 -0.2724 10 O6 -1.1151 3.7917 -2.0541 O.2 2 G2 -0.3892 11 N9 -3.3761 -0.5750 0.3510 N.ar 1 A1 -0.3932 12 N9 3.0220 2.6865 -0.2680 N.ar 2 G2 -0.4159 13 N3 1.7358 0.8907 -1.4496 N.ar 2 G2 -0.5300 14 N7 1.5021 4.3583 -0.5218 N.ar 2 G2 -0.2571 15 N7 -5.6395 -0.4303 0.5165 N.ar 1 A1 -0.3406 16 N3 -2.8058 1.7782 0.8772 N.ar 1 A1 -0.5069 17 N1 -0.4540 1.6157 -2.1859 N.ar 2 G2 -0.6265 18 N1 -4.7574 3.1484 1.2810 N.ar 1 A1 -0.5724 19 N6 -6.9455 2.3234 1.2920 N.pl3 1 A1 -0.5573 20 N2 0.2420 -0.5938 -2.5413 N.pl3 2 G2 -0.5881 21 C3* -0.5407 -2.7745 0.7382 C.3 1 A1 0.1089 22 C2* -1.2312 -1.4864 1.2209 C.3 1 A1 -0.3739 23 C4* -1.4243 -3.2495 -0.4386 C.3 1 A1 0.0260 24 C1* -2.0362 -1.0221 -0.0051 C.3 1 A1 0.3241 25 C4* 4.4460 -0.1500 0.8106 C.3 2 G2 0.0285 26 C3* 4.9499 0.7396 1.9681 C.3 2 G2 0.1246 27 C1* 4.3134 2.0602 0.0183 C.3 2 G2 0.3133 28 C2* 4.6911 2.1794 1.5055 C.3 2 G2 -0.3696 29 C5* 3.1373 -0.8745 1.1563 C.3 2 G2 -0.0636 30 C5* -2.4016 -4.3534 -0.0167 C.3 1 A1 -0.0439 31 C4 1.9471 2.1660 -0.9754 C.ar 2 G2 0.2669 32 C4 -3.6606 0.7453 0.6815 C.ar 1 A1 0.2909 33 C8 -4.6223 -1.2418 0.2392 C.ar 1 A1 0.1400 34 C8 2.6985 4.0561 -0.0268 C.ar 2 G2 0.0471 35 C5 1.0030 3.2156 -1.1177 C.ar 2 G2 -0.1867 36 C5 -5.0878 0.8198 0.7957 C.ar 1 A1 -0.2036 37 C6 -5.6162 2.0972 1.1224 C.ar 1 A1 0.4690 38 C6 -0.2703 2.9766 -1.8064 C.ar 2 G2 0.6345 39 C2 0.4579 0.6884 -2.0421 C.ar 2 G2 0.5772 40 C2 -3.4220 2.9508 1.1412 C.ar 1 A1 0.3196 41 H3* -0.4268 -3.5345 1.5376 H 1 A1 0.1475 42 H2*1 -0.5047 -0.7110 1.5370 H 1 A1 0.1912 43 H2*2 -1.8664 -1.6707 2.1031 H 1 A1 0.1741 44 H4* -0.8488 -3.5587 -1.3422 H 1 A1 0.1804 45 H1* -1.5352 -0.2005 -0.5923 H 1 A1 0.1887 46 H4* 5.2245 -0.8593 0.4394 H 2 G2 0.1760 47 H3* 4.4899 0.5042 2.9480 H 2 G2 0.1329 48 H1* 5.0850 2.4686 -0.6873 H 2 G2 0.1621 49 H2*1 5.6061 2.7933 1.6441 H 2 G2 0.1930 50 H2*2 3.9025 2.6655 2.1066 H 2 G2 0.1773 51 H5*1 2.2715 -0.1780 1.1407 H 2 G2 0.1550 52 H5*2 3.2051 -1.3578 2.1520 H 2 G2 0.1427 53 H5*1 -1.9698 -5.0292 0.7475 H 1 A1 0.1511 54 H5*2 -3.3571 -3.9406 0.3524 H 1 A1 0.1306 55 H3* 6.6303 -0.2641 2.3309 H 2 G2 0.3207 56 H8 -4.6914 -2.2792 -0.0451 H 1 A1 0.1943 57 H8 3.3657 4.7141 0.4964 H 2 G2 0.1875 58 H5* -3.1220 -4.7581 -1.8141 H 1 A1 0.3191 59 H3 2.4020 0.1456 -1.2879 H 2 G2 0.3537 60 H1P 2.9476 -3.6748 -1.7417 H 2 G2 0.3246 61 H2 -2.7763 3.8427 1.2550 H 1 A1 0.2122 62 H61 -7.2841 3.2427 1.5001 H 1 A1 0.3227 63 H62 -7.6007 1.5813 1.1547 H 1 A1 0.3252 64 H21 0.7628 -1.3489 -2.1311 H 2 G2 0.3065 65 H22 -0.7312 -0.8318 -2.7128 H 2 G2 0.3227 @BOND 1 65 20 1 2 20 64 1 3 20 39 1 4 17 39 ar 5 17 38 ar 6 10 38 2 7 39 13 ar 8 58 7 1 9 38 35 ar 10 60 8 1 11 13 59 1 12 13 31 ar 13 8 1 1 14 44 23 1 15 35 31 ar 16 35 14 ar 17 7 30 1 18 31 12 ar 19 2 23 1 20 2 24 1 21 48 27 1 22 45 24 1 23 14 34 ar 24 23 30 1 25 23 21 1 26 3 27 1 27 3 25 1 28 12 34 ar 29 12 27 1 30 56 33 1 31 34 57 1 32 30 54 1 33 30 53 1 34 24 11 1 35 24 22 1 36 27 28 1 37 5 1 1 38 5 29 1 39 1 4 1 40 1 9 2 41 4 21 1 42 33 11 ar 43 33 15 ar 44 11 32 ar 45 46 25 1 46 15 36 ar 47 32 36 ar 48 32 16 ar 49 21 22 1 50 21 41 1 51 36 37 ar 52 25 29 1 53 25 26 1 54 16 40 ar 55 37 18 ar 56 37 19 1 57 51 29 1 58 40 61 1 59 40 18 ar 60 63 19 1 61 29 52 1 62 22 42 1 63 22 43 1 64 19 62 1 65 28 49 1 66 28 26 1 67 28 50 1 68 26 6 1 69 26 47 1 70 6 55 1