71463860 -OEChem-05042420262D 49 48 0 1 0 0 0 0 0999 V2000 0.0000 6.1133 0.0000 K 0 4 0 0 0 0 0 0 0 0 0 0 9.5100 6.1371 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.2329 6.3151 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.9754 4.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4374 4.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7193 6.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7000 5.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3201 6.7235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0964 5.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9237 6.9471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1458 5.9068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6412 7.2280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8246 5.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5730 12.2265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5730 9.7286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7132 3.1147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7132 1.5053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9009 3.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0349 1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9009 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4374 4.8753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0266 5.6833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0238 4.0652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9772 5.3726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7872 5.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7669 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2968 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7669 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9009 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0349 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1569 5.4282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4658 6.1209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4615 3.6261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5291 5.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1348 6.4724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3419 6.3905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1284 5.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1349 7.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9168 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4379 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8433 4.7611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6480 6.2704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2777 7.7302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1099 12.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0360 12.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1099 10.0386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0360 10.0386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 2 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 21 5 1 6 0 0 0 5 37 1 0 0 0 0 22 6 1 6 0 0 0 6 38 1 0 0 0 0 7 25 1 0 0 0 0 9 43 1 0 0 0 0 11 44 1 0 0 0 0 12 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 23 16 1 1 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 27 2 0 0 0 0 17 28 1 0 0 0 0 18 26 2 0 0 0 0 18 30 1 0 0 0 0 19 29 1 0 0 0 0 19 30 2 0 0 0 0 20 29 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 31 1 0 0 0 0 22 24 1 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 24 25 1 1 0 0 0 24 34 1 0 0 0 0 25 35 1 0 0 0 0 25 36 1 0 0 0 0 26 28 1 0 0 0 0 27 39 1 0 0 0 0 28 29 2 0 0 0 0 30 40 1 0 0 0 0 M RAD 1 1 2 M END > 71463860 > 1 > 638 > 16 > 8 > 6 > AAADceBzvAMAQAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgAQCCAACBzhlwYF8L9MFxCgQQZhZICAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > InChI=1S/C10H15N5O10P2.K.2H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);;2*1H2/t4-,6-,7-,10-;;;/m1.../s1 > RKEOVQKVRGSPST-MSQVLRTGSA-N > 502.01425154 > C10H19KN5O12P2 > 502.33 > C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N.O.O.[K] > C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N.O.O.[K] > 235 > 502.01425154 > 0 > 30 > 4 > 0 > 0 > 0 > 0 > 4 > -1 > 1 5 255 > 23 16 5 16 26 8 16 27 8 17 27 8 17 28 8 18 26 8 18 30 8 19 29 8 19 30 8 24 25 5 26 28 8 28 29 8 21 5 6 22 6 6 $$$$