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-4.5476 0.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 -4.2071 0.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8096 -5.0796 -2.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2181 -5.2127 -0.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5269 -2.6768 -2.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0387 -3.0407 -1.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3555 0.8994 1.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7995 -0.3381 -1.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8942 -0.9407 1.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3159 -2.1760 -1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4976 2.2729 -0.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7813 0.4878 2.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0275 0.4642 -0.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2403 -1.3881 2.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6698 6.3741 0.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 7.6026 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1019 -3.4872 0.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3986 -3.1742 0.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6596 -2.3987 -0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 21 2 0 0 0 0 3 28 2 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 11 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 14 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 27 1 0 0 0 0 8 22 2 0 0 0 0 9 28 1 0 0 0 0 9 55 1 0 0 0 0 9 56 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 21 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 22 28 1 0 0 0 0 23 25 1 0 0 0 0 23 47 1 0 0 0 0 24 26 2 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 29 31 1 0 0 0 0 29 51 1 0 0 0 0 30 32 2 0 0 0 0 30 52 1 0 0 0 0 31 33 2 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 M END > 12 13 8 12 22 8 19 23 8 19 24 8 20 25 8 20 26 8 23 25 8 24 26 8 27 29 8 27 30 8 29 31 8 30 32 8 31 33 8 32 33 8 7 13 8 7 8 8 8 22 8 > InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32) > QNZCBYKSOIHPEH-UHFFFAOYSA-N > 1/1/N:34,16,15,17,25,26,23,24,29,30,31,32,10,14,11,20,19,27,33,12,21,22,13,28,18,9,8,6,5,7,2,3,1,4/E:(5,6)(7,8)(9,10)(11,12)/rA:59nOOOONNNNNCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;;;s5s10;s10;s7d12;s6;s14;s15;s16;d1s5s13;s5;s6;d2s6s17;d8s12;d19;s19;d20s23;s20d24;s7;d3s9s22;d27;s27;s29;d30;s4d31s32;s4;s10;s10;s11;s11;s15;s15;s14;s14;s16;s16;s17;s17;s23;s24;s25;s26;s29;s30;s31;s32;s9;s9;s34;s34;s34;/rC:1.2158,.2065,.2494;-6.0878,-1.7643,.3796;3.4327,6.3703,-.5989;6.4454,-1.706,1.1856;-.5788,1.5074,.0909;-4.1265,-2.7466,.0005;2.9943,2.4757,.4461;3.3527,3.7122,.2715;1.4492,6.6903,.1198;-.2363,4.0332,-.1211;-1.1591,2.7802,-.1767;1.1874,3.693,.0604;1.6454,2.3939,.2698;-3.6997,-4.0959,.0996;-4.0972,-4.9156,-1.1601;-5.5912,-4.6745,-1.5088;-5.9539,-3.1654,-1.4659;.7366,1.3344,.2268;-1.4368,.4649,.1151;-3.2611,-1.7276,.0786;-5.389,-2.5118,-.2922;2.3076,4.5218,.0423;-2.343,.2598,1.1815;-1.4451,-.4535,-.9591;-3.2456,-.8208,1.1638;-2.3398,-1.5356,-.9742;3.9241,1.5084,.7469;2.4025,5.8815,-.1577;5.2081,1.5069,.1467;3.6425,.4722,1.6687;6.1084,.4433,.3445;4.5103,-.6194,1.8367;5.7275,-.663,1.1301;6.3931,-2.7197,.3118;-.3478,4.6224,-1.0355;-.5274,4.6671,.7201;-1.5877,2.7402,-1.1848;-1.9996,2.9816,.4965;-3.9141,-5.9804,-.9958;-3.4745,-4.6003,-2.0019;-4.1691,-4.5476,.9797;-2.621,-4.2071,.2555;-5.8096,-5.0796,-2.5005;-6.2181,-5.2127,-.7925;-5.5269,-2.6768,-2.3463;-7.0387,-3.0407,-1.5262;-2.3555,.8994,1.9804;-.7995,-.3381,-1.7442;-3.8942,-.9407,1.9456;-2.3159,-2.176,-1.772;5.4976,2.2729,-.4664;2.7813,.4878,2.2194;7.0275,.4642,-.1051;4.2403,-1.3881,2.4559;.6698,6.3741,.5274;1.53,7.6026,-.0668;7.1019,-3.4872,.6207;5.3986,-3.1742,.2833;6.6596,-2.3987,-.6986; > C25 H25 N5 O4 > 459.4971 > O=C1C2=C(C(C(N([H])[H])=O)=NN2C2C([H])=C([H])C(=C([H])C=2[H])OC([H])([H])[H])C([H])([H])C([H])([H])N1C1C([H])=C([H])C(=C([H])C=1[H])N1C(C([H])([H])C([H])([H])C([H])([H])C1([H])[H])=O > 8358471 $$$$