Mrv1652309112212442D 55 58 0 0 1 0 999 V2000 1.2337 2.7290 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2337 1.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9482 1.4915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9482 0.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2337 0.2540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5192 0.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5192 1.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2654 1.7464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7503 1.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2654 0.4116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5203 -0.3731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0354 -1.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5203 -1.7079 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2654 -2.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5416 -2.6641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 -1.4530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9724 -1.9379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 -0.6280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9724 -0.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0400 2.7290 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0400 1.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7544 1.4915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7544 0.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0400 0.2540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3255 0.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3255 1.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5409 1.7464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0560 1.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5409 0.4116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2859 -0.3731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7709 -1.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2859 -1.7079 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5409 -2.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3478 -2.6641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5013 -1.4530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8339 -1.9379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5013 -0.6280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8339 -0.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7652 -9.2641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0507 -8.8516 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.6382 -9.5661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4632 -8.1371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3362 -8.4391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3362 -7.6141 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.4888 -7.6141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1612 -7.6141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3362 -6.7891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3782 -6.3766 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7907 -7.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0343 -5.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0927 -5.9641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0927 -5.1391 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.0927 -4.3141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9177 -5.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2677 -5.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 2 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 6 10 1 0 0 0 0 11 10 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 14 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 11 18 1 0 0 0 0 18 19 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 21 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 25 29 1 0 0 0 0 30 29 1 6 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 6 0 0 0 33 34 1 0 0 0 0 32 35 1 0 0 0 0 35 36 1 1 0 0 0 35 37 1 0 0 0 0 30 37 1 0 0 0 0 37 38 1 1 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 44 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 48 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 52 55 1 0 0 0 0 M END > NP0313294 > NP-MRD > OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(O)=O.NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1.NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1 > InChI=1S/2C10H13N5O4.H6O13P4/c2*11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h2*2-4,6-7,10,16-18H,1H2,(H2,11,12,13);(H,7,8)(H,9,10)(H2,1,2,3)(H2,4,5,6)/t2*4-,6-,7-,10-;/m11./s1 > SAWHPTWGLLAOIT-JZBGLOBFSA-N > C20H32N10O21P4 > 872.42 > 872.069396082 > 8 > 87 > 25.16183296261548 > 1 > 4 > 0 > 0 > bis((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol); {[hydroxy({[hydroxy(phosphonooxy)phosphoryl]oxy})phosphoryl]oxy}phosphonic acid > -2.0909638716666668 > 1 > 6 > 0 > 13.891216626641981 > 12.45400327595609 > 3.921276940416587 > 139.54000000000002 > 63.195600000000006 > 10 > 0 > [hydroxy([hydroxy(phosphonooxy)phosphoryl]oxy)phosphoryl]oxyphosphonic acid; bis(adenosine) > 0 > NP0313294 > [hydroxy([hydroxy(phosphonooxy)phosphoryl]oxy)phosphoryl]oxyphosphonic acid; bis(adenosine) $$$$