@MOLECULE [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2r,3s,4r,5r)-5-(4-carbamoyl-1,3-selenazol-2-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate (non-preferred name) 43 47 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 SE 6.0457 -0.9412 2.0134 Se 1 UNL1 0.4387 2 P -1.2526 -1.8478 -2.8619 P.3 1 UNL1 0.4140 3 P -1.0883 0.9578 -1.5865 P.3 1 UNL1 0.4155 4 O -4.9600 -0.9471 0.1722 O.3 1 UNL1 -0.0368 5 O 3.8983 0.2358 0.1862 O.3 1 UNL1 -0.1275 6 O -4.7682 -4.4681 0.5657 O.2 1 UNL1 -0.3524 7 O -7.1609 -3.1657 1.8102 O.2 1 UNL1 -0.2769 8 O 2.7525 2.9168 -1.8239 O.2 1 UNL1 -0.3234 9 O 5.6890 2.7548 -1.4917 O.2 1 UNL1 -0.2472 10 O -2.0824 -2.3042 -1.1382 O.3 1 UNL1 -0.0387 11 O 0.4698 0.2530 -0.3371 O.3 1 UNL1 -0.0801 12 O -1.0894 -0.4000 -2.3271 O.3 1 UNL1 -0.3200 13 O -0.0979 -2.6461 -2.5499 O.3 1 UNL1 -0.1822 14 O -0.3241 1.9030 -2.3460 O.2 1 UNL1 -0.1456 15 O -2.3868 -1.9412 -3.7373 O.2 1 UNL1 -0.1823 16 O -1.9664 0.9590 -0.4503 O.3 1 UNL1 -0.1764 17 O 10.6999 -0.4454 1.3204 O.2 1 UNL1 -0.3337 18 N -6.8886 -0.1518 1.2009 N.ar 1 UNL1 -0.4443 19 N -8.5807 1.1857 2.0035 N.ar 1 UNL1 -0.4495 20 N 7.4543 0.5794 0.1026 N.ar 1 UNL1 -0.2466 21 N -5.5393 1.6918 0.2220 N.ar 1 UNL1 -0.3196 22 N -6.5053 3.9368 0.5401 N.ar 1 UNL1 -0.3361 23 N -8.5399 4.2952 1.6872 N.pl3 1 UNL1 -0.0435 24 N 10.2467 0.8344 -0.4887 N.am 1 UNL1 -0.0982 25 C -5.0447 -3.3051 0.5592 C.2 1 UNL1 0.3997 26 C -6.2802 -2.6393 1.1937 C.2 1 UNL1 0.3035 27 C -4.2991 -2.1907 -0.0124 C.3 1 UNL1 -0.3592 28 C -6.0946 -1.2293 0.8751 C.3 1 UNL1 0.0505 29 C 3.3554 2.0900 -1.2096 C.2 1 UNL1 0.3881 30 C 2.8554 0.9390 -0.4588 C.3 1 UNL1 -0.3537 31 C 4.8863 2.0096 -1.0140 C.2 1 UNL1 0.3095 32 C 5.0714 0.8555 -0.1333 C.3 1 UNL1 -0.0181 33 C -3.1237 -2.1989 -0.6316 C.3 1 UNL1 0.5485 34 C 1.6011 0.5147 -0.3787 C.3 1 UNL1 0.5273 35 C 6.2164 0.3131 0.4618 C.ar 1 UNL1 -0.0269 36 C -6.5488 1.1728 0.8582 C.ar 1 UNL1 0.2235 37 C -8.1383 -0.2170 1.9071 C.ar 1 UNL1 0.6004 38 C -7.7398 1.9901 1.4510 C.ar 1 UNL1 0.1238 39 C -7.6877 3.4555 1.2737 C.ar 1 UNL1 0.1667 40 C 8.4142 -0.0871 0.8939 C.ar 1 UNL1 -0.1532 41 C 7.8545 -0.8402 1.8561 C.ar 1 UNL1 -0.0431 42 C -5.6873 3.0656 0.1635 C.ar 1 UNL1 0.3490 43 C 9.8512 0.0751 0.6175 C.2 1 UNL1 0.4563 @BOND 1 15 2 2 2 2 13 1 3 2 12 1 4 2 10 1 5 14 3 2 6 12 3 1 7 8 29 2 8 3 16 1 9 3 11 1 10 9 31 2 11 29 31 1 12 29 30 1 13 10 33 1 14 31 32 1 15 33 27 1 16 24 43 am 17 30 34 1 18 30 5 1 19 34 11 1 20 32 5 1 21 32 35 1 22 27 4 1 23 27 25 1 24 20 35 ar 25 20 40 ar 26 42 21 ar 27 42 22 ar 28 4 28 1 29 21 36 ar 30 35 1 ar 31 22 39 ar 32 25 6 2 33 25 26 1 34 43 40 1 35 43 17 2 36 36 18 ar 37 36 38 ar 38 28 26 1 39 28 18 1 40 40 41 ar 41 26 7 2 42 18 37 ar 43 39 38 ar 44 39 23 1 45 38 19 ar 46 41 1 ar 47 37 19 ar