@MOLECULE [(3s,5r)-5-(4-amino-5-bromo-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate 39 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR 5.1928 -2.6119 2.7975 Br 1 UNL1 0.2009 2 P -1.2013 4.0182 0.1061 P.3 1 UNL1 0.4319 3 O -2.2614 1.1658 3.2004 O.2 1 UNL1 -0.4993 4 O 3.0918 1.2300 -0.0402 O.2 1 UNL1 -0.2473 5 O -1.6988 2.5583 -0.3430 O.3 1 UNL1 -0.3460 6 O 0.5798 3.5334 0.5503 O.3 1 UNL1 -0.0411 7 O 2.7417 3.6622 -2.5592 O.2 1 UNL1 -0.2936 8 O -4.9708 2.4546 2.0287 O.2 2 UNL2 -0.3771 9 O -0.9021 4.7004 -1.1229 O.2 1 UNL1 -0.1740 10 O -1.5149 4.3666 1.4642 O.3 1 UNL1 -0.1772 11 O 7.0374 0.2754 -2.7340 O.2 2 UNL2 -0.2213 12 O -7.9003 -4.1548 -1.6542 O.2 1 UNL1 -0.2617 13 N -4.1014 -1.4665 -1.0332 N.ar 1 UNL1 -0.4194 14 N 4.8930 -0.1120 -0.6766 N.2 1 UNL1 -0.2682 15 N -6.1431 -0.8627 0.1947 N.ar 1 UNL1 -0.3482 16 N -4.9300 -3.3912 -1.9798 N.ar 1 UNL1 -0.4216 17 N 6.4405 -2.0351 -2.7726 N.2 2 UNL2 -0.4644 18 N -8.0660 -2.4066 -0.2266 N.ar 1 UNL1 -0.5544 19 N -8.1567 -0.7504 1.3575 N.pl3 1 UNL1 0.1341 20 N 4.9791 -3.7280 -1.6641 N.1 2 UNL2 -0.2548 21 C -2.0741 1.6133 0.4900 C.3 1 UNL1 0.3610 22 C -2.7187 0.5369 -0.2246 C.1 1 UNL1 -0.1806 23 C -1.3163 1.2292 2.5531 C.2 1 UNL1 0.4531 24 C -3.3486 -0.4194 -0.6336 C.1 1 UNL1 0.0520 25 C 2.4397 2.3342 -0.5938 C.3 1 UNL1 -0.3135 26 C 3.0294 2.7104 -1.8902 C.2 1 UNL1 0.2545 27 C 4.0765 1.6382 -2.2163 C.3 1 UNL1 0.3291 28 C 4.0885 0.8453 -0.9513 C.2 1 UNL1 0.1314 29 C -4.0385 2.1962 1.4324 C.2 2 UNL2 0.4265 30 C 1.4368 2.9219 0.0368 C.3 1 UNL1 0.5076 31 C -5.4486 -1.6022 -0.5958 C.ar 1 UNL1 0.2453 32 C -3.7246 -2.5470 -1.8788 C.ar 1 UNL1 0.5567 33 C -5.9018 -2.9022 -1.3073 C.ar 1 UNL1 0.0640 34 C 4.9174 -0.8200 0.4499 C.1 1 UNL1 0.0119 35 C 6.6403 -0.8115 -2.6263 C.1 2 UNL2 0.6325 36 C -7.3572 -3.2494 -1.0875 C.ar 1 UNL1 0.5316 37 C -7.5018 -1.3708 0.4277 C.ar 1 UNL1 0.3519 38 C 5.0318 -1.5504 1.4194 C.1 1 UNL1 -0.1161 39 C 5.6362 -2.8993 -2.1455 C.1 2 UNL2 0.3039 @BOND 1 17 35 2 2 17 39 1 3 11 35 2 4 7 26 2 5 27 26 1 6 27 28 1 7 39 20 3 8 16 32 ar 9 16 33 ar 10 26 25 1 11 32 13 ar 12 12 36 2 13 33 36 ar 14 33 31 ar 15 9 2 2 16 36 18 ar 17 13 24 1 18 13 31 ar 19 28 14 2 20 28 4 1 21 14 34 1 22 24 22 3 23 31 15 ar 24 25 4 1 25 25 30 1 26 5 2 1 27 5 21 1 28 18 37 ar 29 22 21 1 30 30 6 1 31 2 6 1 32 2 10 1 33 15 37 ar 34 37 19 1 35 34 38 3 36 38 1 1 37 29 8 2 38 23 3 2