31 33 0 0001 0 0 0 0 0999 V2000 6.6361 -2.1581 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 6.6361 -3.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.6361 -0.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.3052 -2.1581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.9744 -2.1581 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 3.9744 -3.4709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.9744 -0.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.6616 -2.1581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.3308 -2.1401 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 1.3128 -3.4709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.1401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 7.9669 -2.1581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.3128 -0.8093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 13.5599 -1.3308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 12.3369 -1.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.5669 -2.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.0094 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.9233 -2.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.2579 -0.9172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 15.7359 -1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.6928 -3.3810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 15.3942 -0.0180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 10.6105 -2.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.1969 -1.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.9228 -1.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.9517 -3.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.1969 -4.1723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 17.0847 -3.1112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 17.9839 -0.9172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 8.9560 -1.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.6966 -3.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 1 12 1 0 1 3 2 0 1 2 1 0 4 5 1 0 5 7 2 0 5 8 1 0 5 6 1 0 8 9 1 0 9 13 2 0 9 10 1 0 9 11 1 0 12 30 1 0 15 14 1 1 14 16 1 0 14 17 1 0 15 18 1 0 15 19 1 0 16 20 2 0 16 21 1 0 17 22 2 0 18 23 1 0 18 31 1 6 19 24 1 0 20 25 1 0 20 22 1 0 21 26 2 0 23 27 1 6 23 24 1 0 24 30 1 1 25 28 2 0 25 29 1 0 26 28 1 0 M END > InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 > ZKHQWZAMYRWXGA-KQYNXXCUSA-N > 1/1/N:30,26,17,24,20,23,18,25,16,15,29,28,21,22,14,27,31,10,11,13,2,3,6,7,12,19,8,4,9,1,5/E:(18,19,20)(21,22)(23,24)/it:im/rA:31cPOOOPOOOPOOOONCCCCOCNNCCCCONNCO/rB:s1;d1;s1;s4;s5;d5;s5;s8;s9;s9;s1;d9;;p14;s14;s14;s15;s15;d16;s16;d17s20;s18;s19s23;s20;d21;N23;d25s26;s25;s12P24;N18;/rC:6.6361,-2.1581,0;6.6361,-3.4889,0;6.6361,-.8273,0;5.3052,-2.1581,0;3.9744,-2.1581,0;3.9744,-3.4709,0;3.9744,-.8273,0;2.6616,-2.1581,0;1.3308,-2.1401,0;1.3128,-3.4709,0;0,-2.1401,0;7.9669,-2.1581,0;1.3128,-.8093,0;13.5599,-1.3308,0;12.3369,-1.7265,0;14.5669,-2.0322,0;14.0094,0,0;11.9233,-2.9134,0;11.2579,-.9172,0;15.7359,-1.169,0;14.6928,-3.381,0;15.3942,-.018,0;10.6105,-2.9134,0;10.1969,-1.6725,0;16.9228,-1.6905,0;15.9517,-3.9385,0;10.1969,-4.1723,0;17.0847,-3.1112,0;17.9839,-.9172,0;8.956,-1.2589,0;12.6966,-3.9924,0; > C10 H16 N5 O13 P3 > 507.181 > P(O)(=O)(OC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)N1C=NC2C(N)=NC=NC1=2)OP(O)(OP(O)(O)=O)=O > 5742 $$$$