@MOLECULE [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate (non-preferred name) 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.8401 6.1848 -0.1986 S.3 1 UNL1 0.0109 2 P -2.1091 -4.0179 0.6870 P.3 2 UNL2 0.4865 3 P -1.8115 -1.8268 -1.2021 P.3 2 UNL2 0.2248 4 O -0.2005 -0.8927 1.5658 O.2 2 UNL2 -0.4330 5 O 2.9325 0.6582 1.2712 O.2 2 UNL2 -0.2758 6 O 3.0188 -2.1213 2.3790 O.2 2 UNL2 -0.2837 7 O -0.7741 -4.0129 1.6420 O.3 2 UNL2 -0.2685 8 O -1.4335 -3.0624 -2.1209 O.3 2 UNL2 -0.2835 9 O -2.2534 -2.4968 0.1863 O.3 2 UNL2 -0.2289 10 O 1.1610 -3.6586 -2.6982 O.2 3 UNL3 -0.2820 11 O -1.6233 -4.8118 -0.5936 O.3 2 UNL2 -0.2415 12 O -3.2235 -4.4962 1.4569 O.2 2 UNL2 -0.2267 13 O 1.8670 -1.6142 -0.6139 O.2 3 UNL3 -0.2660 14 O -2.9031 -0.9586 -1.7074 O.2 2 UNL2 -0.5169 15 O -0.7289 -0.8271 -1.0746 O.3 2 UNL2 -0.4370 16 O 3.0351 3.8064 0.2251 O.3 3 UNL3 -0.1288 17 N 0.0400 1.2767 0.7874 N.2 2 UNL2 0.0073 18 N -1.2417 1.8371 -1.7284 N.1 2 UNL2 -0.3508 19 N -2.0381 1.5931 1.8480 N.2 2 UNL2 0.0190 20 N 1.9514 -0.2319 -2.4823 N.am 3 UNL3 -0.2393 21 N -3.9833 2.4816 0.6872 N.2 2 UNL2 0.0230 22 N -3.9239 2.8417 -1.6290 N.2 2 UNL2 0.1989 23 N 0.6919 4.5228 -0.8771 N.1 1 UNL1 -0.1816 24 C 2.0328 -0.0926 1.4693 C.2 2 UNL2 0.3129 25 C 2.0455 -1.5535 1.9812 C.2 2 UNL2 0.2611 26 C 0.5523 0.1907 1.2374 C.2 2 UNL2 0.3825 27 C 0.6756 -1.9822 1.8374 C.3 2 UNL2 0.2639 28 C 0.1357 -3.1960 1.7978 C.3 2 UNL2 0.2053 29 C -1.3155 1.5511 0.7116 C.2 2 UNL2 0.4075 30 C 1.3874 -1.7155 -4.1717 C.2 3 UNL3 0.0366 31 C -0.6553 1.6792 -2.7575 C.1 2 UNL2 0.1297 32 C -1.9160 1.9449 -0.5660 C.3 2 UNL2 0.3890 33 C 1.3619 -2.5235 -2.9956 C.2 3 UNL3 0.2463 34 C -1.3782 -4.3260 -1.7915 C.3 2 UNL2 0.3073 35 C 1.0814 -2.1970 -5.4396 C.3 3 UNL3 0.0359 36 C 1.7139 -0.3615 -3.9619 C.2 3 UNL3 0.0678 37 C -3.2899 2.4309 -0.5664 C.2 2 UNL2 0.4553 38 C 1.7382 -1.5193 -1.7891 C.2 3 UNL3 0.2924 39 C -3.2823 2.0601 1.6658 C.2 2 UNL2 0.4722 40 C 2.2343 0.8741 -1.8853 C.3 3 UNL3 0.1774 41 C 2.5200 1.8992 -1.2389 C.1 3 UNL3 -0.0362 42 C 2.7539 2.9409 -0.4692 C.1 3 UNL3 0.0959 43 C -0.3451 5.0113 -0.6796 C.1 1 UNL1 0.1513 44 C -1.5631 5.5802 -0.4454 C.1 1 UNL1 0.0194 @BOND 1 35 30 1 2 30 36 2 3 30 33 1 4 36 20 1 5 33 10 2 6 33 38 1 7 31 18 3 8 20 40 1 9 20 38 am 10 8 34 1 11 8 3 1 12 40 41 1 13 34 11 1 14 38 13 2 15 18 32 1 16 14 3 2 17 22 37 2 18 41 42 3 19 3 15 1 20 3 9 1 21 23 43 3 22 43 44 1 23 11 2 1 24 37 32 1 25 37 21 1 26 32 29 1 27 42 16 1 28 44 1 3 29 9 2 1 30 2 12 2 31 2 7 1 32 21 39 2 33 29 17 1 34 29 19 2 35 17 26 2 36 26 24 1 37 26 4 1 38 5 24 2 39 24 25 1 40 4 27 1 41 7 28 1 42 39 19 1 43 28 27 1 44 27 25 1 45 25 6 2