@MOLECULE [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2r,3s,4s)-2,3,4-trihydroxy-5-(6-hydroxy-7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-3-id-10-yl)pentyl] phosphate 54 60 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 1.4956 0.5074 2.1747 P.3 1 UNL1 0.4147 2 O 0.6686 1.8925 3.0021 O.3 1 UNL1 -0.0164 3 C 0.0858 2.8574 2.6892 C.3 1 UNL1 0.2644 4 C -0.4108 3.8280 1.7258 C.2 1 UNL1 0.2598 5 O 0.7933 0.8875 0.7848 O.3 1 UNL1 -0.3896 6 N -2.8178 0.2199 0.8264 N.ar 1 UNL1 -0.2139 7 C -2.8453 -1.1984 1.0370 C.ar 1 UNL1 0.3837 8 C -3.1621 0.6655 -0.4920 C.ar 1 UNL1 -0.0736 9 C -2.4540 1.0517 1.7885 C.3 1 UNL1 0.1733 10 C -3.2973 -2.0313 -0.1249 C.ar 1 UNL1 -0.0136 11 N -2.5776 -1.6766 2.2102 N.2 1 UNL1 -0.4335 12 C -3.4531 -0.2557 -1.5487 C.ar 1 UNL1 0.0190 13 C -3.0873 1.9576 -0.8676 C.ar 1 UNL1 0.1143 14 N -3.5547 -1.5847 -1.3308 N.ar 1 UNL1 -0.1780 15 C -3.4854 -3.5040 0.1721 C.2 1 UNL1 0.5315 16 C -2.7045 -3.0870 2.4650 C.1 1 UNL1 0.6250 17 C -3.6131 0.2743 -2.9466 C.ar 1 UNL1 0.5031 18 C -3.1338 2.6035 -2.0915 C.ar 1 UNL1 -0.4735 19 O -3.6088 2.9926 2.3653 O.2 1 UNL1 -0.3409 20 N -2.7167 -3.8789 1.2900 N.am 1 UNL1 -0.3816 21 O -4.1797 -4.2537 -0.4475 O.2 1 UNL1 -0.2796 22 O -2.7241 -3.5391 3.5713 O.2 1 UNL1 -0.3004 23 C -3.0746 1.6363 -3.1892 C.ar 1 UNL1 -0.5782 24 C -3.1812 3.9458 -2.2020 C.2 1 UNL1 0.5905 25 O -2.0536 4.0272 0.0384 O.2 1 UNL1 -0.3593 26 C -2.4700 1.9014 -4.3457 C.2 1 UNL1 0.5346 27 O 0.1142 4.9013 1.5774 O.2 1 UNL1 -0.2619 28 O 2.8502 0.9845 2.1854 O.2 1 UNL1 -0.1886 29 O -0.5190 2.2415 -0.9511 O.2 1 UNL1 -0.1876 30 C -2.6975 2.5023 1.7387 C.2 1 UNL1 0.2074 31 C -1.7366 3.4813 1.0603 C.2 1 UNL1 0.3265 32 O 1.5617 -5.9026 -0.1839 O.2 1 UNL1 -0.1384 33 C 1.4890 -4.7667 -0.3532 C.1 1 UNL1 0.5415 34 C 1.3853 -3.4597 -0.5623 C.2 1 UNL1 -0.3506 35 O 2.5837 -2.7013 -0.6598 O.2 1 UNL1 -0.0946 36 C 0.1933 -2.6062 -0.6888 C.2 1 UNL1 0.5466 37 C 2.1512 -1.4084 -0.8971 C.2 1 UNL1 0.3327 38 C 0.7868 -1.2873 -0.9753 C.2 1 UNL1 -0.1365 39 O -0.9600 -2.9207 -0.5732 O.2 1 UNL1 -0.4676 40 O -0.0216 -0.2301 -1.3113 O.2 1 UNL1 -0.0571 41 P 0.3982 1.1642 -0.6670 P.3 1 UNL1 0.4122 42 O 1.8006 1.5619 -1.4383 O.3 1 UNL1 -0.1766 43 O 0.6925 -0.5547 2.7126 O.3 1 UNL1 -0.0889 44 N 3.1394 -0.4473 -0.9882 N.ar 1 UNL1 -0.3754 45 C 4.5070 -0.6247 -0.7332 C.ar 1 UNL1 0.2498 46 C 2.9381 0.9801 -1.1763 C.ar 1 UNL1 0.5385 47 C 5.0897 0.7363 -0.8636 C.ar 1 UNL1 -0.0096 48 N 5.1894 -1.7260 -0.4379 N.ar 1 UNL1 -0.3753 49 N 4.1235 1.6483 -1.1242 N.ar 1 UNL1 -0.3284 50 C 6.5282 0.9375 -0.6543 C.ar 1 UNL1 0.2239 51 C 6.5101 -1.3617 -0.2867 C.ar 1 UNL1 0.3320 52 N 7.2324 -0.3478 -0.3462 N.ar 1 UNL1 -0.3714 53 N 7.1972 1.9932 -0.6885 N.pl3 1 UNL1 -0.1320 54 O -4.1182 -0.3742 -3.8246 O.2 1 UNL1 -0.3525 @BOND 1 26 23 2 2 54 17 2 3 23 17 ar 4 23 18 ar 5 17 12 ar 6 24 18 2 7 18 13 ar 8 12 14 ar 9 12 8 ar 10 42 46 1 11 42 41 1 12 14 10 ar 13 40 38 1 14 40 41 1 15 46 49 ar 16 46 44 ar 17 49 47 ar 18 44 37 1 19 44 45 ar 20 38 37 2 21 38 36 1 22 29 41 2 23 37 35 1 24 13 8 ar 25 47 45 ar 26 47 50 ar 27 45 48 ar 28 36 39 2 29 36 34 1 30 53 50 1 31 41 5 1 32 35 34 1 33 50 52 ar 34 34 33 2 35 8 6 ar 36 21 15 2 37 48 51 ar 38 33 32 2 39 52 51 ar 40 10 15 1 41 10 7 ar 42 25 31 2 43 15 20 am 44 5 1 1 45 6 7 ar 46 6 9 1 47 7 11 1 48 31 4 1 49 31 30 1 50 20 16 am 51 27 4 2 52 4 3 1 53 30 9 1 54 30 19 2 55 1 28 2 56 1 43 1 57 1 2 1 58 11 16 2 59 16 22 2 60 3 2 1