@MOLECULE [[(2r,3s,4r,5r)-5-(3-carbamoyl-4h-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-oxo-3h-purin-9-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate 72 76 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -3.8668 -0.5372 -0.9209 P.3 1 UNL1 0.3747 2 P -3.4242 2.4447 -0.4386 P.3 1 UNL1 0.3785 3 O 0.2426 -2.7309 -2.4930 O.3 1 UNL1 -0.4100 4 O 0.2566 2.6921 1.7984 O.3 1 UNL1 -0.3988 5 O 1.5005 -4.0701 0.2602 O.3 1 UNL1 -0.5600 6 O -1.0618 -3.8748 0.3375 O.3 1 UNL1 -0.5833 7 O 2.1324 4.3761 -0.1562 O.3 1 UNL1 -0.5176 8 O 3.5143 2.7895 1.3659 O.3 1 UNL1 -0.5517 9 O -2.2996 -0.8199 -0.8966 O.3 1 UNL1 -0.2582 10 O -2.0307 2.4805 0.3113 O.3 1 UNL1 -0.1973 11 O -3.9665 0.9547 -0.4357 O.3 1 UNL1 -0.1963 12 O -4.2507 -0.5405 -2.4695 O.3 1 UNL1 -0.3892 13 O -3.0488 2.8605 -1.9277 O.3 1 UNL1 -0.3810 14 O -4.6494 -1.3471 -0.0071 O.2 1 UNL1 -0.2288 15 O -4.4203 3.1957 0.3001 O.2 1 UNL1 -0.1924 16 O 5.0240 2.0629 -1.3179 O.2 1 UNL1 -0.4016 17 O -2.2276 -2.8261 2.5166 O.2 1 UNL1 -0.6293 18 N 2.1515 -1.5232 -1.9742 N.ar 1 UNL1 -0.3747 19 N 1.0659 0.5303 2.1993 N.pl3 1 UNL1 -0.4353 20 N 2.6278 0.5909 -2.6488 N.ar 1 UNL1 -0.3013 21 N 4.0286 -1.7900 -0.3376 N.ar 1 UNL1 -0.5012 22 N 5.4216 0.1445 -0.1601 N.ar 1 UNL1 -0.5465 23 N -3.0481 -0.7532 2.7338 N.am 1 UNL1 -0.6244 24 C 1.0244 -2.8481 -0.2173 C.3 1 UNL1 0.0258 25 C -0.5225 -2.7046 -0.2051 C.3 1 UNL1 0.0761 26 C 1.4081 -2.7673 -1.7226 C.3 1 UNL1 0.2466 27 C -0.9326 -2.5861 -1.6821 C.3 1 UNL1 0.0404 28 C 1.6169 3.0785 -0.1337 C.3 1 UNL1 0.0599 29 C 2.3823 2.1468 0.8455 C.3 1 UNL1 0.0188 30 C 0.1815 3.1077 0.4325 C.3 1 UNL1 0.0297 31 C 1.4238 1.9605 2.0553 C.3 1 UNL1 0.2557 32 C -1.5177 -1.2023 -2.0348 C.3 1 UNL1 -0.0518 33 C -0.7706 2.1808 -0.3373 C.3 1 UNL1 -0.0718 34 C 3.2788 -1.1150 -1.2811 C.ar 1 UNL1 0.2102 35 C 1.7902 -0.4358 -2.8076 C.ar 1 UNL1 0.1026 36 C -0.2598 0.1477 2.3145 C.2 1 UNL1 0.1337 37 C 2.0760 -0.3340 2.6778 C.2 1 UNL1 -0.0164 38 C 3.5695 0.2063 -1.7086 C.ar 1 UNL1 -0.1838 39 C -0.6103 -1.1106 2.6800 C.2 1 UNL1 -0.3264 40 C 0.4018 -2.1188 3.1356 C.3 1 UNL1 -0.2262 41 C 1.7951 -1.5819 3.0883 C.2 1 UNL1 -0.2174 42 C 4.6947 0.9229 -1.1193 C.ar 1 UNL1 0.5918 43 C 5.1171 -1.0629 0.1856 C.ar 1 UNL1 0.3201 44 C -1.9866 -1.6217 2.6209 C.2 1 UNL1 0.6288 45 H 1.5049 -2.0724 0.4195 H 1 UNL1 0.1587 46 H -0.8319 -1.8191 0.3959 H 1 UNL1 0.1682 47 H 1.9944 -3.6457 -2.0934 H 1 UNL1 0.1771 48 H -1.5900 -3.4288 -1.9918 H 1 UNL1 0.1775 49 H 1.6871 2.7514 -1.1957 H 1 UNL1 0.1799 50 H 2.6653 1.1861 0.3747 H 1 UNL1 0.1437 51 H -0.2222 4.1446 0.5117 H 1 UNL1 0.1821 52 H 1.8334 2.3713 3.0114 H 1 UNL1 0.1670 53 H -0.7255 -0.4223 -2.0646 H 1 UNL1 0.1379 54 H -2.0126 -1.2285 -3.0225 H 1 UNL1 0.1494 55 H -0.7124 2.3832 -1.4255 H 1 UNL1 0.1553 56 H -0.5477 1.1089 -0.1582 H 1 UNL1 0.1437 57 H 0.7259 -4.6483 0.5200 H 1 UNL1 0.3711 58 H -1.5670 -3.6435 1.1837 H 1 UNL1 0.3920 59 H 2.5681 4.5984 0.7025 H 1 UNL1 0.3351 60 H 4.2462 2.7963 0.6903 H 1 UNL1 0.3639 61 H 0.9572 -0.4906 -3.4914 H 1 UNL1 0.2069 62 H -1.0017 0.9151 2.0299 H 1 UNL1 0.1970 63 H 3.0866 0.0835 2.6618 H 1 UNL1 0.1667 64 H 0.3272 -3.0482 2.5210 H 1 UNL1 0.1638 65 H 0.1575 -2.4557 4.1709 H 1 UNL1 0.1610 66 H 2.5723 -2.2629 3.4201 H 1 UNL1 0.1571 67 H 3.7427 -2.7010 0.0060 H 1 UNL1 0.3474 68 H 5.7215 -1.6054 0.9348 H 1 UNL1 0.1971 69 H -5.2316 -0.8094 -2.5612 H 1 UNL1 0.3257 70 H -3.8656 2.7355 -2.5292 H 1 UNL1 0.3262 71 H -3.9731 -1.1012 2.5311 H 1 UNL1 0.3220 72 H -2.9287 0.2337 2.6241 H 1 UNL1 0.3057 @BOND 1 61 35 1 2 54 32 1 3 35 20 ar 4 35 18 ar 5 20 38 ar 6 69 12 1 7 70 13 1 8 3 26 1 9 3 27 1 10 12 1 1 11 47 26 1 12 53 32 1 13 32 27 1 14 32 9 1 15 48 27 1 16 18 26 1 17 18 34 ar 18 13 2 1 19 26 24 1 20 38 34 ar 21 38 42 ar 22 27 25 1 23 55 33 1 24 16 42 2 25 34 21 ar 26 49 28 1 27 42 22 ar 28 1 9 1 29 1 11 1 30 1 14 2 31 2 11 1 32 2 15 2 33 2 10 1 34 21 67 1 35 21 43 ar 36 33 56 1 37 33 10 1 38 33 30 1 39 24 25 1 40 24 5 1 41 24 45 1 42 25 6 1 43 25 46 1 44 22 43 ar 45 7 28 1 46 7 59 1 47 28 30 1 48 28 29 1 49 43 68 1 50 5 57 1 51 6 58 1 52 50 29 1 53 30 51 1 54 30 4 1 55 60 8 1 56 29 8 1 57 29 31 1 58 4 31 1 59 62 36 1 60 31 19 1 61 31 52 1 62 19 36 1 63 19 37 1 64 36 39 2 65 17 44 2 66 64 40 1 67 71 23 1 68 44 39 1 69 44 23 am 70 72 23 1 71 63 37 1 72 37 41 2 73 39 40 1 74 41 40 1 75 41 66 1 76 40 65 1