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-8.6680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 41.5883 -10.3690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6092 1.8330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9234 1.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7420 1.3287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 40.1929 -14.7340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9637 0.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7368 1.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0612 16.1352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1350 16.1352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.5078 -8.5098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.6390 -7.8786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8986 12.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6172 12.9230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 44.6131 -3.5347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 44.1764 -2.5537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 39.1748 -16.1352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.1068 -16.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 29 1 0 0 0 0 1 48 1 0 0 0 0 1 54 2 0 0 0 0 2 20 1 0 0 0 0 2 32 1 0 0 0 0 2 49 1 0 0 0 0 2 55 2 0 0 0 0 3 21 1 0 0 0 0 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0 0 0 204335 1 0 0 0 0 204336 1 0 0 0 0 206226 2 0 0 0 0 206341 1 0 0 0 0 214228 2 0 0 0 0 214344 1 0 0 0 0 216225 1 0 0 0 0 216346 1 0 0 0 0 217227 1 0 0 0 0 217347 1 0 0 0 0 218348 1 0 0 0 0 218349 1 0 0 0 0 218350 1 0 0 0 0 219351 1 0 0 0 0 219352 1 0 0 0 0 219353 1 0 0 0 0 220354 1 0 0 0 0 220355 1 0 0 0 0 220356 1 0 0 0 0 221357 1 0 0 0 0 221358 1 0 0 0 0 221359 1 0 0 0 0 222361 1 0 0 0 0 222362 1 0 0 0 0 222363 1 0 0 0 0 223364 1 0 0 0 0 223365 1 0 0 0 0 223366 1 0 0 0 0 224229 1 0 0 0 0 224367 1 0 0 0 0 226232 1 0 0 0 0 226369 1 0 0 0 0 228233 1 0 0 0 0 228234 1 0 0 0 0 230235 2 0 0 0 0 230370 1 0 0 0 0 234374 1 0 0 0 0 234375 1 0 0 0 0 234376 1 0 0 0 0 235236 1 0 0 0 0 235377 1 0 0 0 0 M END > 70694693 > 1 > 10500 > 80 > 26 > 70 > AAADcfB//gOAAAAAAAAAAAAAAAAAASJEiRIgQIECAAAAAAAAAAAAHgAQCCAADBThgAYDAAPABxCoQiN2dICAAAEAAgAIAAEYAFCBEAIAgQAOQAAPFyIDAMCwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] [(2R,3S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate > [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-3-oxolanyl] [(2R,3S,5R)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-phosphonooxy-2-oxolanyl]methyl hydrogen phosphate > [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate > [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate > [(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate > [(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] [(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate > InChI=1S/C115H153N29O80P12/c1-49-30-138(109(158)126-97(49)146)90-19-57(213-225(165,166)167)69(206-90)38-190-227(170,171)215-59-21-87(135-15-10-82(118)123-106(135)155)203-71(59)40-192-229(174,175)217-60-22-88(136-16-11-83(119)124-107(136)156)205-73(60)42-194-231(178,179)219-62-24-91(139-31-50(2)98(147)127-110(139)159)208-75(62)44-196-233(182,183)221-64-26-93(141-33-52(4)100(149)129-112(141)161)210-77(64)46-198-235(186,187)223-66-28-95(143-35-54(6)102(151)131-114(143)163)212-79(66)48-200-236(188,189)224-67-29-96(144-36-55(7)103(152)132-115(144)164)211-78(67)47-199-234(184,185)222-65-27-94(142-34-53(5)101(150)130-113(142)162)209-76(65)45-197-232(180,181)220-63-25-92(140-32-51(3)99(148)128-111(140)160)207-74(63)43-195-230(176,177)218-61-23-89(137-17-12-84(120)125-108(137)157)204-72(61)41-193-228(172,173)216-58-20-86(134-14-9-81(117)122-105(134)154)202-70(58)39-191-226(168,169)214-56-18-85(201-68(56)37-145)133-13-8-80(116)121-104(133)153/h8-17,30-36,56-79,85-96,145H,18-29,37-48H2,1-7H3,(H,168,169)(H,170,171)(H,172,173)(H,174,175)(H,176,177)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,188,189)(H2,116,121,153)(H2,117,122,154)(H2,118,123,155)(H2,119,124,156)(H2,120,125,157)(H,126,146,158)(H,127,147,159)(H,128,148,160)(H,129,149,161)(H,130,150,162)(H,131,151,163)(H,132,152,164)(H2,165,166,167)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+/m0/s1 > HWHNYMPKNUIKPU-DTASIZBZSA-N > -23.8 > 3592.5680444 > C115H153N29O80P12 > 3593.3 > CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1CO)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)OP(=O)(O)O > CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=O)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=O)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=O)(O)O[C@H]8C[C@@H](O[C@@H]8COP(=O)(O)O[C@H]9C[C@@H](O[C@@H]9COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1CO)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)OP(=O)(O)O > 1450 > 3591.5646895 > 0 > 236 > 36 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 156 100 5 100 198 8 100 201 8 165 101 6 101 203 8 101 205 8 168 102 6 102 206 8 102 211 8 174 103 6 103 214 8 103 215 8 104 184 8 104 207 8 105 185 8 105 208 8 106 186 8 106 209 8 107 187 8 107 210 8 108 191 8 108 212 8 109 192 8 109 213 8 190 110 5 110 230 8 110 231 8 111 199 8 111 225 8 112 201 8 112 227 8 113 205 8 113 229 8 114 215 8 114 233 8 115 211 8 115 232 8 118 231 8 118 236 8 126 153 6 127 154 6 128 157 5 129 158 6 134 160 5 137 162 6 148 167 6 149 169 5 159 170 6 164 175 6 171 177 6 178 193 8 179 194 8 180 196 8 181 197 8 182 204 5 188 200 8 189 202 8 122 19 5 193 207 8 194 208 8 195 216 8 196 209 8 197 210 8 198 217 8 123 20 5 200 212 8 202 213 8 203 224 8 206 226 8 124 21 5 214 228 8 216 225 8 217 227 8 224 229 8 226 232 8 228 233 8 125 23 6 230 235 8 235 236 8 130 25 5 131 26 6 147 28 6 146 31 5 155 38 5 161 39 5 172 46 5 176 47 6 138 93 6 93 178 8 93 184 8 139 94 6 94 179 8 94 185 8 140 95 5 95 180 8 95 186 8 141 96 6 96 181 8 96 187 8 144 97 5 97 188 8 97 191 8 145 98 6 98 189 8 98 192 8 152 99 6 99 195 8 99 199 8 $$$$