29 30 0 0000 0 0 0 0 0999 V2000 4.2213 -5.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.4487 2.8844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 7.9128 2.8844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.1808 3.8844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 7.9128 3.8844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.5000 -4.8180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.6156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.6156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 3.5827 -3.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.6691 -3.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4781 -4.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.4612 -2.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.3147 2.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.5827 2.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.7788 2.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.0468 4.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.0468 5.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2478 -5.3844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 5.8517 -1.9256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 2 16 2 0 3 19 1 0 3 24 1 0 4 20 1 0 4 25 1 0 5 18 1 0 5 26 1 0 6 26 2 0 7 8 1 0 7 14 1 0 7 28 1 0 8 13 2 0 9 10 1 0 9 16 1 0 9 29 1 0 10 23 2 0 11 12 1 0 11 13 1 0 11 14 1 0 12 16 1 0 13 15 1 0 17 21 2 0 17 22 1 0 17 23 1 0 18 19 2 0 18 20 1 0 19 21 1 0 20 22 2 0 26 27 1 0 M END > 11 12 3 17 21 8 17 22 8 18 19 8 18 20 8 19 21 8 20 22 8 > InChI=1S/C17H20N4O6/c1-9-12(17(24)21-19-9)7-15(23)20-18-8-11-5-13(25-3)16(27-10(2)22)14(6-11)26-4/h5-6,8,12H,7H2,1-4H3,(H,20,23)(H,21,24)/b18-8+ > CLKLYSMXTKQIPC-QGMBQPNBSA-N > 1/1/N:15,27,24,25,21,22,12,23,13,26,17,11,19,20,16,18,14,10,8,9,7,6,2,1,3,4,5/E:(3,4)(5,6)(13,14)(25,26)/rA:47cOOOOOONNNNCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;;s9;;s11;d8s11;d1s7s11;s13;d2s9s12;;s5;s3d18;s4s18;d17s19;s17d20;d10s17;s3;s4;s5d6;s26;s11;s12;s12;s7;s15;s15;s15;s9;s21;s22;s23;s24;s24;s24;s25;s25;s25;s27;s27;s27;/rC:4.2213,-5.2792,0;3.5827,-1.6156,0;4.4487,2.8844,0;7.9128,2.8844,0;6.1808,3.8844,0;7.9128,3.8844,0;2.5,-4.818,0;2,-3.952,0;5.3147,-1.6156,0;5.3147,-.6156,0;3.5827,-3.6156,0;4.4487,-3.1156,0;2.6691,-3.2088,0;3.4781,-4.6101,0;2.4612,-2.2307,0;4.4487,-2.1156,0;6.1808,.8844,0;6.1808,2.8844,0;5.3147,2.3844,0;7.0468,2.3844,0;5.3147,1.3844,0;7.0468,1.3844,0;6.1808,-.1156,0;3.5827,2.3844,0;8.7788,2.3844,0;7.0468,4.3844,0;7.0468,5.3844,0;4.1027,-3.9533,0;5.0593,-3.0079,0;4.6608,-3.6982,0;2.2478,-5.3844,0;3.0677,-2.1018,0;1.8548,-2.3596,0;2.3323,-1.6242,0;5.8517,-1.9256,0;4.7778,1.0744,0;7.5837,1.0744,0;6.7177,-.4256,0;3.2727,2.9214,0;3.0457,2.0744,0;3.8927,1.8475,0;8.4688,1.8475,0;9.3158,2.0744,0;9.0888,2.9214,0;7.6668,5.3844,0;7.0468,6.0044,0;6.4268,5.3844,0; > C17 H20 N4 O6 > 376.3639 > O=C1C([H])(C(C([H])([H])[H])=NN1[H])C([H])([H])C(N([H])/N=C(\[H])/C1C([H])=C(C(=C(C=1[H])OC([H])([H])[H])OC(C([H])([H])[H])=O)OC([H])([H])[H])=O > 7912482 $$$$