60060452 -OEChem-05221313292D 131138 0 1 0 0 0 0 0999 V2000 8.7475 -0.4014 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.8909 -3.1991 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 12.0987 -0.1924 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 14.6774 -4.2654 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.2376 2.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9514 -3.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3408 0.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2637 -1.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4787 -4.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 -0.7345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6865 -1.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1543 -1.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6685 2.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5109 0.6166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9344 -5.6249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 -2.3901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7742 0.8827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -2.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -0.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8853 -3.2873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6611 0.0053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 -2.6113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9077 0.3954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8340 -0.8082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -3.7869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2897 -0.7802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1606 3.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0559 -6.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4888 0.8533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0612 -0.8568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6556 -4.4734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4695 -5.2436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4286 6.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5200 -6.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6993 -4.0575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4286 3.8600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9219 -4.7400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9023 0.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 0.8533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2946 5.3600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7879 -6.2400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 2.3533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5965 0.7905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 3.8533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1317 2.4378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9286 1.3211 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4732 -3.9036 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9286 1.3211 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9732 -3.0375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6196 2.2722 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1424 -4.6467 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4286 2.8600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.0559 -4.2400 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.6810 -0.8969 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.1810 -0.0308 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.3501 -1.6400 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.1591 -0.2387 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5665 -2.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5164 0.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 -1.6856 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7208 -1.6856 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4118 -0.7345 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2208 -0.1467 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3086 -2.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1422 -2.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2946 4.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5626 4.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9219 -5.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7879 -4.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6944 1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 1.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 1.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8533 0.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5626 5.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6540 -4.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 2.8533 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0868 2.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4286 5.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6540 -5.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4375 2.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3886 1.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3162 1.4181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1356 -3.3836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5409 1.4181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3634 -2.5557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1812 1.8338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5435 -4.8072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9810 3.1414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0234 -4.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4588 -1.4757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5618 0.0016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8319 -2.0302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7380 -0.4609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1358 -1.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0525 -2.4707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9591 0.2403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6873 -0.0839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 -1.5886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 -1.5886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9734 -1.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 0.1347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 -2.7664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -3.0906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5673 -2.3859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8137 -3.1439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5396 3.1877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3448 -5.8164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1387 1.3843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0256 4.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7879 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -3.0610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1047 1.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 1.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1627 -0.3591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8315 5.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0256 5.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7879 -6.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1909 -4.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7578 3.1633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 -1.9947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8429 1.0120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 2.6633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 2.6633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3086 2.6841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7578 4.1633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6839 4.1633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7214 2.2462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0028 3.0442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9303 -5.6584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8472 -5.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 1 21 1 0 0 0 0 1 24 2 0 0 0 0 2 9 1 0 0 0 0 2 16 1 0 0 0 0 2 22 1 0 0 0 0 2 25 2 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 3 23 1 0 0 0 0 3 26 2 0 0 0 0 4 20 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 35 2 0 0 0 0 5 48 1 0 0 0 0 5 52 1 0 0 0 0 6 49 1 0 0 0 0 6 53 1 0 0 0 0 7 46 1 0 0 0 0 8 56 1 0 0 0 0 8 57 1 0 0 0 0 9 47 1 0 0 0 0 10 60 1 0 0 0 0 10 63 1 0 0 0 0 11 54 1 0 0 0 0 12 58 1 0 0 0 0 13 50 1 0 0 0 0 13106 1 0 0 0 0 14 59 1 0 0 0 0 15 51 1 0 0 0 0 15107 1 0 0 0 0 16 64 1 0 0 0 0 17 55 1 0 0 0 0 17108 1 0 0 0 0 18 61 1 0 0 0 0 18111 1 0 0 0 0 19 62 1 0 0 0 0 19112 1 0 0 0 0 20 65 1 0 0 0 0 21115 1 0 0 0 0 22121 1 0 0 0 0 23122 1 0 0 0 0 27 66 2 0 0 0 0 28 68 2 0 0 0 0 29 71 2 0 0 0 0 30 73 2 0 0 0 0 31131 1 0 0 0 0 32130 1 0 0 0 0 33 78 2 0 0 0 0 34 79 2 0 0 0 0 36 52 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 37 53 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 38 57 1 0 0 0 0 38 70 1 0 0 0 0 38 73 1 0 0 0 0 39 63 1 0 0 0 0 39 71 1 0 0 0 0 39 72 1 0 0 0 0 40 66 1 0 0 0 0 40 78 1 0 0 0 0 40116 1 0 0 0 0 41 68 1 0 0 0 0 41 79 1 0 0 0 0 41118 1 0 0 0 0 42 71 1 0 0 0 0 42 76 1 0 0 0 0 42123 1 0 0 0 0 43 73 1 0 0 0 0 43 81 2 0 0 0 0 44 76 1 0 0 0 0 44126 1 0 0 0 0 44127 1 0 0 0 0 45 81 1 0 0 0 0 45128 1 0 0 0 0 45129 1 0 0 0 0 46 48 1 0 0 0 0 46 50 1 0 0 0 0 46 82 1 0 0 0 0 47 49 1 0 0 0 0 47 51 1 0 0 0 0 47 83 1 0 0 0 0 48 59 1 0 0 0 0 48 84 1 0 0 0 0 49 58 1 0 0 0 0 49 85 1 0 0 0 0 50 52 1 0 0 0 0 50 86 1 0 0 0 0 51 53 1 0 0 0 0 51 87 1 0 0 0 0 52 88 1 0 0 0 0 53 89 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 54 90 1 0 0 0 0 55 57 1 0 0 0 0 55 91 1 0 0 0 0 56 65 1 0 0 0 0 56 92 1 0 0 0 0 57 93 1 0 0 0 0 58 94 1 0 0 0 0 58 95 1 0 0 0 0 59 96 1 0 0 0 0 59 97 1 0 0 0 0 60 61 1 0 0 0 0 60 64 1 0 0 0 0 60 98 1 0 0 0 0 61 62 1 0 0 0 0 61 99 1 0 0 0 0 62 63 1 0 0 0 0 62100 1 0 0 0 0 63101 1 0 0 0 0 64102 1 0 0 0 0 64103 1 0 0 0 0 65104 1 0 0 0 0 65105 1 0 0 0 0 67 74 2 0 0 0 0 67109 1 0 0 0 0 69 75 2 0 0 0 0 69110 1 0 0 0 0 70 80 2 0 0 0 0 70113 1 0 0 0 0 72 77 2 0 0 0 0 72114 1 0 0 0 0 74 78 1 0 0 0 0 74117 1 0 0 0 0 75 79 1 0 0 0 0 75119 1 0 0 0 0 76 77 1 0 0 0 0 76120 1 0 0 0 0 77124 1 0 0 0 0 80 81 1 0 0 0 0 80125 1 0 0 0 0 M END > 60060452 > 1 > 2840 > 32 > 15 > 22 > AAADcfB//gOAAAAAAAAAAAAAAAAAASJEiQAgQIEAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCoQCN2dICAAAEAAgAIAIAYAFCDEAIAgQAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [3-[[3-[[5-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl [5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate > [3-[[3-[[5-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-oxolanyl]methyl [5-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-2-(phosphonooxymethyl)-3-oxolanyl] hydrogen phosphate > [3-[[3-[[5-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate > [3-[[3-[[5-(6-azanyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methyl [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-oxidanyl-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate > [3-[[3-[[5-(6-amino-2-keto-1,6-dihydropyrimidin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl [5-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate > InChI=1S/C36H50N10O31P4/c37-17-1-5-43(33(54)39-17)29-22(50)21(49)13(71-29)9-68-79(61,62)76-27-15(73-31(24(27)52)45-7-3-19(47)41-35(45)56)11-70-81(65,66)77-28-16(74-32(25(28)53)46-8-4-20(48)42-36(46)57)12-69-80(63,64)75-26-14(10-67-78(58,59)60)72-30(23(26)51)44-6-2-18(38)40-34(44)55/h1-8,13-17,21-32,49-53H,9-12,37H2,(H,39,54)(H,61,62)(H,63,64)(H,65,66)(H2,38,40,55)(H,41,47,56)(H,42,48,57)(H2,58,59,60) > DLXFCCJFLGRCJZ-UHFFFAOYSA-N > -15.9 > 1242.159391 > C36H50N10O31P4 > 1242.725648 > C1=CN(C(=O)NC1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=O)NC4=O)COP(=O)(O)OC5C(OC(C5O)N6C=CC(=O)NC6=O)COP(=O)(O)OC7C(OC(C7O)N8C=CC(=NC8=O)N)COP(=O)(O)O)O)O > C1=CN(C(=O)NC1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=O)NC4=O)COP(=O)(O)OC5C(OC(C5O)N6C=CC(=O)NC6=O)COP(=O)(O)OC7C(OC(C7O)N8C=CC(=NC8=O)N)COP(=O)(O)O)O)O > 588 > 1242.159391 > 0 > 81 > 0 > 17 > 0 > 0 > 0 > 1 > 54 > 1 5 255 > 54 11 3 50 13 3 51 15 3 55 17 3 61 18 3 62 19 3 52 36 3 36 66 8 36 67 8 53 37 3 37 68 8 37 69 8 57 38 3 38 70 8 38 73 8 63 39 3 40 66 8 40 78 8 41 68 8 41 79 8 43 73 8 43 81 8 76 44 3 48 59 3 49 58 3 56 65 3 60 64 3 67 74 8 69 75 8 46 7 3 70 80 8 74 78 8 75 79 8 80 81 8 47 9 3 $$$$