@MOLECULE [[[[[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate 59 67 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 0.6596 -0.7559 0.9997 P.3 1 UNL1 0.4499 2 P -1.5145 2.5894 1.8455 P.3 1 UNL1 0.4475 3 P 1.4222 2.0496 1.8535 P.3 1 UNL1 0.4886 4 P -1.2667 2.5889 -1.1668 P.3 1 UNL1 0.4391 5 P 1.6078 3.3582 -0.8888 P.3 1 UNL1 0.4796 6 O 2.8181 0.2587 -1.1660 O.2 1 UNL1 -0.3928 7 O -1.5728 -1.7531 -0.6930 O.2 1 UNL1 -0.2681 8 O 4.3036 -0.1947 -4.2562 O.2 1 UNL1 -0.2195 9 O -2.6919 -3.4348 2.2138 O.2 1 UNL1 -0.2526 10 O 1.3351 0.4351 -4.3417 O.2 1 UNL1 -0.2473 11 O -1.9007 -5.2199 -0.0615 O.2 1 UNL1 -0.3323 12 O 0.6453 -0.6617 -0.6454 O.3 1 UNL1 -0.3597 13 O -0.2571 -3.5488 -3.2041 O.2 1 UNL1 -0.1764 14 O 0.5877 0.7036 1.4901 O.3 1 UNL1 -0.1013 15 O -1.6868 2.6370 0.3139 O.3 1 UNL1 -0.0725 16 O -0.7479 -1.3226 1.4860 O.3 1 UNL1 -0.2563 17 O -1.9090 0.9771 2.1718 O.3 1 UNL1 -0.2377 18 O 1.6717 -1.7485 1.2791 O.2 1 UNL1 -0.2524 19 O -2.0525 3.4666 2.8613 O.2 1 UNL1 -0.1549 20 O 4.3803 -1.1856 3.4512 O.2 1 UNL1 -0.2625 21 O -6.9660 1.4582 0.0767 O.2 1 UNL1 -0.2475 22 O 1.8758 2.7323 0.5127 O.3 1 UNL1 -0.2425 23 O 0.0950 3.4221 -1.2254 O.3 1 UNL1 -0.2389 24 O 2.5612 2.1009 2.7225 O.2 1 UNL1 -0.1558 25 O -2.1069 2.8060 -2.3234 O.2 1 UNL1 -0.1417 26 O 0.0377 2.5963 2.3399 O.3 1 UNL1 -0.0454 27 O -0.6270 1.0212 -1.3604 O.3 1 UNL1 -0.3341 28 O 2.3721 4.5455 -1.1472 O.2 1 UNL1 -0.1192 29 O 2.1040 2.2522 -1.9768 O.3 1 UNL1 -0.3062 30 N 4.3240 -1.4638 -1.4144 N.2 1 UNL1 -0.3542 31 N -2.9053 -0.7210 0.8507 N.ar 1 UNL1 -0.4780 32 N 3.6738 -3.1670 -0.0145 N.2 1 UNL1 -0.3571 33 N -4.5075 -1.7935 -0.6607 N.ar 1 UNL1 -0.4345 34 N 4.6543 0.2034 1.0338 N.1 1 UNL1 -0.5281 35 N -4.1742 1.1463 1.3496 N.ar 1 UNL1 -0.3663 36 N 3.7169 -3.1001 2.4269 N.am 1 UNL1 -0.3488 37 N -6.5922 -0.4869 -1.0182 N.ar 1 UNL1 -0.3531 38 N 2.9797 -4.9851 1.2897 N.pl3 1 UNL1 -0.0438 39 N -6.1954 -2.4661 -2.1341 N.pl3 1 UNL1 -0.0863 40 C 3.5128 -0.1269 -3.3745 C.2 1 UNL1 0.3005 41 C -2.2184 -3.1437 1.1693 C.2 1 UNL1 0.3011 42 C 2.0822 0.4320 -3.4205 C.2 1 UNL1 0.2781 43 C -1.8402 -4.0249 -0.0282 C.2 1 UNL1 0.4101 44 C 3.6618 -0.5036 -1.9227 C.2 1 UNL1 0.3053 45 C -1.8280 -1.6804 0.7084 C.3 1 UNL1 0.5136 46 C 1.8092 0.9281 -1.9765 C.3 1 UNL1 0.2932 47 C -1.3694 -3.0972 -1.0313 C.2 1 UNL1 -0.2859 48 C 0.4816 0.4590 -1.2969 C.3 1 UNL1 0.6485 49 C -0.7624 -3.3373 -2.1896 C.1 1 UNL1 0.5322 50 C 4.1002 -1.9115 -0.0948 C.2 1 UNL1 0.3179 51 C -4.1226 -0.8344 0.1471 C.ar 1 UNL1 0.2651 52 C 4.8544 1.3870 1.0749 C.1 1 UNL1 0.4680 53 C -2.9484 0.5429 1.5122 C.ar 1 UNL1 0.5978 54 C 4.3403 -1.0979 1.0763 C.3 1 UNL1 0.0434 55 C -4.8902 0.3639 0.5132 C.ar 1 UNL1 -0.1153 56 C 4.1575 -1.7517 2.4036 C.2 1 UNL1 0.4579 57 C -6.1985 0.5397 -0.0992 C.ar 1 UNL1 0.4816 58 C 3.4602 -3.7261 1.2610 C.2 1 UNL1 0.3309 59 C -5.7859 -1.5777 -1.2662 C.ar 1 UNL1 0.3193 @BOND 1 10 42 2 2 8 40 2 3 42 40 1 4 42 46 1 5 40 44 1 6 13 49 2 7 25 4 2 8 49 47 2 9 39 59 1 10 29 46 1 11 29 5 1 12 46 48 1 13 46 6 1 14 44 30 2 15 44 6 1 16 30 50 1 17 27 48 1 18 27 4 1 19 48 12 1 20 59 37 ar 21 59 33 ar 22 23 4 1 23 23 5 1 24 4 15 1 25 28 5 2 26 47 7 1 27 47 43 1 28 37 57 ar 29 5 22 1 30 7 45 1 31 33 51 ar 32 12 1 1 33 57 21 2 34 57 55 ar 35 50 32 2 36 50 54 1 37 11 43 2 38 43 41 1 39 32 58 2 40 51 55 ar 41 51 31 ar 42 15 2 1 43 22 3 1 44 55 35 ar 45 45 31 1 46 45 41 1 47 45 16 1 48 31 53 ar 49 1 18 2 50 1 16 1 51 1 14 1 52 34 52 3 53 34 54 1 54 54 56 1 55 41 9 2 56 58 38 1 57 58 36 1 58 35 53 ar 59 14 3 1 60 53 17 1 61 2 17 1 62 2 26 1 63 2 19 2 64 3 26 1 65 3 24 2 66 56 36 am 67 56 20 2