@MOLECULE [(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3-[[7-(diethylamino)-2-oxo-chromene-3-carbonyl]amino]-4-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate 74 78 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -4.7270 2.5550 1.6209 P.3 1 UNL1 0.3872 2 P -6.9768 1.8095 -0.3964 P.3 1 UNL1 0.4029 3 O -1.3940 -0.1563 0.9972 O.3 1 UNL1 -0.3975 4 O 0.5249 -1.0413 -1.6811 O.3 1 UNL1 -0.5347 5 O -3.6157 1.4749 1.2728 O.3 1 UNL1 -0.1999 6 O 1.2795 1.3362 -2.8650 O.2 1 UNL1 -0.5259 7 O -5.9666 2.3469 0.6787 O.3 1 UNL1 -0.3798 8 O -4.1476 3.9330 1.0787 O.3 1 UNL1 -0.3414 9 O 5.2014 2.3654 -0.8689 O.2 1 UNL1 -0.3738 10 O -5.0711 2.4503 3.0225 O.2 1 UNL1 -0.1916 11 O 3.6040 3.5940 -1.6886 O.2 1 UNL1 -0.3970 12 O -8.0815 1.0990 0.5044 O.3 1 UNL1 -0.3687 13 O -6.2610 0.6157 -1.1480 O.3 1 UNL1 -0.3195 14 O -7.4205 2.8627 -1.2804 O.2 1 UNL1 -0.1768 15 N -2.0122 -2.2051 0.1389 N.ar 1 UNL1 -0.3876 16 N 0.7138 1.3839 -0.6670 N.am 1 UNL1 -0.5855 17 N -4.0066 -3.2281 0.5369 N.ar 1 UNL1 -0.3603 18 N -0.6894 -4.2139 -0.4985 N.ar 1 UNL1 -0.4964 19 N -2.0051 -6.2459 -0.4818 N.ar 1 UNL1 -0.5709 20 N -4.2678 -6.3222 0.0943 N.pl3 1 UNL1 -0.5566 21 N 8.8535 0.0474 1.0475 N.pl3 1 UNL1 -0.4157 22 C -0.6574 0.9797 -0.9606 C.3 1 UNL1 -0.0070 23 C -0.7220 -0.5620 -1.2639 C.3 1 UNL1 0.0501 24 C -1.5305 1.0900 0.3084 C.3 1 UNL1 0.0462 25 C -0.9647 -1.1878 0.1394 C.3 1 UNL1 0.2616 26 C -3.0063 1.3508 -0.0306 C.3 1 UNL1 -0.0766 27 C -1.8117 -3.5568 -0.1108 C.ar 1 UNL1 0.2830 28 C -3.3608 -2.0653 0.5589 C.ar 1 UNL1 0.1497 29 C 1.6437 1.3565 -1.7084 C.2 1 UNL1 0.6496 30 C -3.0811 -4.1869 0.1226 C.ar 1 UNL1 -0.2026 31 C 3.0518 1.2942 -1.2561 C.ar 1 UNL1 -0.4153 32 C -3.1366 -5.5910 -0.0829 C.ar 1 UNL1 0.4641 33 C 3.5577 0.1048 -0.8280 C.ar 1 UNL1 0.1085 34 C -0.8599 -5.5406 -0.6659 C.ar 1 UNL1 0.2939 35 C 3.8640 2.4838 -1.3234 C.ar 1 UNL1 0.6206 36 C 4.8999 0.0278 -0.3798 C.ar 1 UNL1 -0.3327 37 C 5.6850 1.2002 -0.4039 C.ar 1 UNL1 0.4094 38 C 5.4981 -1.1504 0.1182 C.ar 1 UNL1 0.0417 39 C 7.5783 0.0500 0.5601 C.ar 1 UNL1 0.3639 40 C 6.9993 1.2333 0.0505 C.ar 1 UNL1 -0.4560 41 C 6.7896 -1.1497 0.5803 C.ar 1 UNL1 -0.3709 42 C 9.7022 1.2468 0.9849 C.3 1 UNL1 -0.0507 43 C 9.5208 -1.1789 1.5054 C.3 1 UNL1 -0.0517 44 C 10.2740 1.4483 -0.4234 C.3 1 UNL1 -0.4715 45 C 9.2684 -1.4100 2.9994 C.3 1 UNL1 -0.4668 46 H -1.0389 1.5803 -1.8200 H 1 UNL1 0.1804 47 H -1.5023 -0.8169 -2.0022 H 1 UNL1 0.1435 48 H -1.1560 1.8266 1.0596 H 1 UNL1 0.1804 49 H -0.0245 -1.6195 0.5804 H 1 UNL1 0.1860 50 H -3.4840 0.4749 -0.5177 H 1 UNL1 0.1422 51 H -3.1021 2.2199 -0.7133 H 1 UNL1 0.1563 52 H 1.0292 1.2564 0.2854 H 1 UNL1 0.3141 53 H 0.6844 -0.8082 -2.6296 H 1 UNL1 0.3516 54 H -3.7662 -1.1087 0.8816 H 1 UNL1 0.2265 55 H 2.9337 -0.8009 -0.8116 H 1 UNL1 0.1784 56 H 0.0216 -6.1226 -0.9859 H 1 UNL1 0.2003 57 H -5.1086 -5.8756 0.4044 H 1 UNL1 0.3267 58 H -4.2626 -7.3127 -0.0538 H 1 UNL1 0.3240 59 H -4.9170 4.4738 0.6566 H 1 UNL1 0.3350 60 H 4.9103 -2.0732 0.1331 H 1 UNL1 0.1564 61 H 7.5414 2.1696 0.0022 H 1 UNL1 0.1914 62 H 7.2157 -2.0661 0.9741 H 1 UNL1 0.1655 63 H 10.5243 1.1510 1.7295 H 1 UNL1 0.1414 64 H 9.1125 2.1394 1.3015 H 1 UNL1 0.1536 65 H 9.1754 -2.0576 0.9102 H 1 UNL1 0.1461 66 H 10.6135 -1.1003 1.3133 H 1 UNL1 0.1423 67 H 9.6631 -0.5882 3.6065 H 1 UNL1 0.1552 68 H 10.8648 0.5858 -0.7470 H 1 UNL1 0.1512 69 H 10.9170 2.3331 -0.4677 H 1 UNL1 0.1565 70 H 9.4741 1.5825 -1.1669 H 1 UNL1 0.1695 71 H 9.7413 -2.3367 3.3415 H 1 UNL1 0.1527 72 H 8.1943 -1.4797 3.2183 H 1 UNL1 0.1630 73 H -6.3066 -0.2510 -0.5919 H 1 UNL1 0.3185 74 H -7.8868 1.2950 1.4982 H 1 UNL1 0.3398 @BOND 1 6 29 2 2 53 4 1 3 47 23 1 4 46 22 1 5 29 31 1 6 29 16 am 7 11 35 2 8 4 23 1 9 35 31 ar 10 35 9 ar 11 14 2 2 12 23 22 1 13 23 25 1 14 31 33 ar 15 70 44 1 16 13 73 1 17 13 2 1 18 56 34 1 19 22 16 1 20 22 24 1 21 9 37 ar 22 33 55 1 23 33 36 ar 24 68 44 1 25 51 26 1 26 16 52 1 27 34 18 ar 28 34 19 ar 29 50 26 1 30 18 27 ar 31 19 32 ar 32 69 44 1 33 44 42 1 34 37 36 ar 35 37 40 ar 36 2 12 1 37 2 7 1 38 36 38 ar 39 27 30 ar 40 27 15 ar 41 32 20 1 42 32 30 ar 43 58 20 1 44 26 24 1 45 26 5 1 46 61 40 1 47 40 39 ar 48 20 57 1 49 38 60 1 50 38 41 ar 51 30 17 ar 52 15 25 1 53 15 28 ar 54 25 49 1 55 25 3 1 56 24 3 1 57 24 48 1 58 12 74 1 59 17 28 ar 60 28 54 1 61 39 41 ar 62 39 21 1 63 41 62 1 64 59 8 1 65 7 1 1 66 65 43 1 67 42 21 1 68 42 64 1 69 42 63 1 70 21 43 1 71 8 1 1 72 5 1 1 73 66 43 1 74 43 45 1 75 1 10 2 76 45 72 1 77 45 71 1 78 45 67 1