Mrv0541 02231219122D 62 67 0 0 1 0 999 V2000 16.5675 -16.8658 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 18.0651 -9.8798 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.8670 -15.4686 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 17.7655 -11.2771 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 17.1665 -14.0715 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 17.4660 -12.6743 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.0354 -19.7146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7474 -7.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9709 -20.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9740 -18.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8821 -7.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1493 -8.6733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8210 -17.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6182 -9.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3139 -16.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5119 -10.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3525 -16.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4529 -9.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7824 -17.1195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7678 -23.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6772 -10.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4200 -14.8566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0190 -12.0622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2548 -14.9155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5505 -11.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4791 -16.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9806 -11.5306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9129 -13.2865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9514 -13.8179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8539 -12.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3815 -14.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0782 -13.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2629 -21.1671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.5502 -5.8316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7678 -21.0061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2629 -22.4949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2742 -4.5329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0463 -5.6783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0533 -22.2436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4877 -4.3194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5317 -3.2575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3389 -21.0061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3043 -20.1293 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3056 -19.3043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5192 -20.3830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5215 -19.0481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0748 -7.2050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7379 -7.9581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4626 -6.6520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9175 -7.8706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2679 -18.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3646 -8.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4823 -21.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2617 -5.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7444 -21.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9413 -5.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4823 -22.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0901 -4.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7678 -22.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7032 -4.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0533 -21.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6594 -5.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 1 17 1 0 0 0 0 1 19 2 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 2 18 1 0 0 0 0 2 21 2 0 0 0 0 3 15 1 0 0 0 0 3 22 1 0 0 0 0 3 24 1 0 0 0 0 3 26 2 0 0 0 0 4 16 1 0 0 0 0 4 23 1 0 0 0 0 4 25 1 0 0 0 0 4 27 2 0 0 0 0 5 22 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 5 31 2 0 0 0 0 6 23 1 0 0 0 0 6 28 1 0 0 0 0 6 30 1 0 0 0 0 6 32 2 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 43 9 1 1 0 0 0 44 10 1 1 0 0 0 47 11 1 6 0 0 0 48 12 1 6 0 0 0 13 51 1 0 0 0 0 14 52 1 0 0 0 0 20 59 2 0 0 0 0 45 33 1 6 0 0 0 33 53 1 0 0 0 0 33 55 1 0 0 0 0 49 34 1 1 0 0 0 34 54 1 0 0 0 0 34 56 1 0 0 0 0 35 53 1 0 0 0 0 35 61 1 0 0 0 0 36 55 2 0 0 0 0 36 57 1 0 0 0 0 37 56 2 0 0 0 0 37 58 1 0 0 0 0 38 54 2 0 0 0 0 38 62 1 0 0 0 0 39 59 1 0 0 0 0 39 61 2 0 0 0 0 40 60 1 0 0 0 0 40 62 2 0 0 0 0 41 60 1 0 0 0 0 42 61 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 44 46 1 0 0 0 0 46 51 1 6 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 48 50 1 0 0 0 0 50 52 1 1 0 0 0 53 57 2 0 0 0 0 54 58 1 0 0 0 0 57 59 1 0 0 0 0 58 60 2 0 0 0 0 M END > BMDB0001541 > bmdb > NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O > InChI=1S/C20H30N10O26P6/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(50-18)1-48-57(36,37)52-59(40,41)54-61(44,45)56-62(46,47)55-60(42,43)53-58(38,39)49-2-7-11(32)13(34)19(51-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1 > QESDWYZADJGZRW-INFSMZHSSA-N > C20H30N10O26P6 > 1012.3462 > 1011.975840254 > 27 > 77.29903437246996 > 0 > 13 > 0 > 0 > {[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid > 0.63 > -7.79127387508627 > -1.92 > 1 > 6 > -5 > 0.9178535953181477 > 0.280213372394301 > 5.00053824146505 > 542.7099999999999 > 188.84169999999992 > 18 > 0 > 1.22e+01 g/l > [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy({[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy(hydroxy)phosphoryl]oxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphinic acid > 0 > BMDB0001541 > Guanosine hexaphosphate adenosine $$$$