39 42 0 0001 0 0 0 0 0999 V2000 3.7694 1.4268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 2.9784 1.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7656 -0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.2538 2.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.9784 2.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2593 1.2564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 3.0843 0.2801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.5158 -0.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7731 2.7665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 2.2593 2.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.5441 1.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.4221 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.6908 -0.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.0041 -1.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.5441 2.5091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 2.2556 3.7467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.8288 1.2716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 1.6387 0.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2177 -1.6576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.9234 -0.3557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.0984 -0.3557 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 -0.7228 -0.3557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.0909 -1.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.1060 0.4655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 -1.5478 -0.3557 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 -2.3691 -0.3595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 -1.5554 -1.2073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 -1.5402 0.4655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 -3.0843 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -3.7997 -0.3595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 -3.0843 -1.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -4.5149 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -3.7997 -2.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -2.3691 -2.0058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 -4.5149 -1.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -5.2189 -0.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -3.7997 -2.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 -5.2189 -2.0058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 -5.8508 -0.8893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 1 1 4 1 0 2 5 2 0 2 6 1 0 3 7 1 0 3 8 1 0 4 9 2 0 5 10 1 0 6 11 2 0 7 12 1 0 8 13 1 0 8 14 1 6 10 15 1 0 10 16 2 0 11 17 1 0 12 18 1 1 13 19 1 6 18 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 21 24 2 0 22 25 1 0 25 26 1 0 25 27 1 0 25 28 2 0 29 26 1 6 29 30 1 0 29 31 1 0 30 32 1 0 31 33 1 0 31 34 1 1 32 35 1 0 32 36 1 1 33 37 1 1 35 38 1 6 36 39 1 0 5 9 1 0 11 15 1 0 12 13 1 0 33 35 1 0 M END > InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1 > MVMSCBBUIHUTGJ-GDJBGNAASA-N > 1/1/N:36,18,4,32,12,5,35,13,33,8,31,2,10,3,29,11,17,9,6,15,1,39,38,19,37,14,34,16,23,24,27,28,20,7,30,26,22,21,25/E:(29,30)(31,32)/it:im/rA:39cNCCCCNOCNCCCCONONCOOPOOOPOOOCOCCCOCCOOO/rB:s1;p1;s1;d2;s2;s3;s3;d4s5;s5;d6;s7;s8s12;N8;s10s11;d10;s11;P12;N13;s18;s20;s21;s21;d21;s22;s25;s25;d25;n26;s29;s29;s30;s31;P31;s32s33;P32;P33;N35;s36;/rC:3.7694,1.4268,0;2.9784,1.6803,0;3.7656,-.2119,0;4.2538,2.0891,0;2.9784,2.5091,0;2.2593,1.2564,0;3.0843,.2801,0;3.5158,-.9878,0;3.7731,2.7665,0;2.2593,2.9217,0;1.5441,1.6803,0;2.4221,-.2006,0;2.6908,-.9878,0;4.0041,-1.6501,0;1.5441,2.5091,0;2.2556,3.7467,0;.8288,1.2716,0;1.6387,.0492,0;2.2177,-1.6576,0;.9234,-.3557,0;.0984,-.3557,0;-.7228,-.3557,0;.0909,-1.2678,0;.106,.4655,0;-1.5478,-.3557,0;-2.3691,-.3595,0;-1.5554,-1.2073,0;-1.5402,.4655,0;-3.0843,-.7683,0;-3.7997,-.3595,0;-3.0843,-1.5895,0;-4.5149,-.7683,0;-3.7997,-2.0058,0;-2.3691,-2.0058,0;-4.5149,-1.5895,0;-5.2189,-.3595,0;-3.7997,-2.8271,0;-5.2189,-2.0058,0;-5.8508,-.8893,0; > C16 H25 N5 O16 P2 > 605.3411 > N1(C=NC2C(=O)NC(N)=NC1=2)[C@H]1[C@H](O)[C@@H]([C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]2[C@@H](O)[C@H]([C@H](O)[C@@H](CO)O2)O)O1)O > 17216073 $$$$