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0 0 5 23 2 0 0 0 0 6 24 2 0 0 0 0 7 13 1 0 0 0 0 7 32 1 0 0 0 0 8 36 1 0 0 0 0 8 59 1 0 0 0 0 9 36 2 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 17 11 1 0 0 0 0 11 24 1 0 0 0 0 11 42 1 0 0 0 0 12 22 1 0 0 0 0 12 26 2 0 0 0 0 12 27 1 0 0 0 0 13 25 2 0 0 0 0 14 28 1 0 0 0 0 14 37 2 0 0 0 0 15 37 1 0 0 0 0 15 57 1 0 0 0 0 15 58 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 24 25 1 0 0 0 0 25 28 1 0 0 0 0 26 29 1 0 0 0 0 26 45 1 0 0 0 0 27 30 2 0 0 0 0 27 46 1 0 0 0 0 28 33 2 0 0 0 0 29 31 2 0 0 0 0 29 47 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 32 36 1 0 0 0 0 33 50 1 0 0 0 0 34 51 1 0 0 0 0 34 52 1 0 0 0 0 34 53 1 0 0 0 0 35 54 1 0 0 0 0 35 55 1 0 0 0 0 35 56 1 0 0 0 0 M CHG 2 4 -1 12 1 M END > 17 11 5 12 26 8 12 27 8 14 28 8 14 37 8 16 38 6 2 33 8 2 37 8 26 29 8 27 30 8 28 33 8 29 31 8 30 31 8 > InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1 > ORFOPKXBNMVMKC-DWVKKRMSSA-N > 1/2/N:34,35,31,29,30,26,27,22,21,33,20,28,25,17,19,24,18,16,23,36,37,32,15,14,11,13,12,10,6,3,4,5,8,9,7,1,2/E:(1,2)(4,5)(6,7)(31,32)(33,34)/it:im/CRV:27+1,31-1/rA:59cSSOO-OOOOONNN+NNNCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;;s7;;;s1s10;s11s16;d3s10s17;s10;d19;s1s20;s12s20;s4d5s19;d6s11;d13s24;d12;s12;s14s25;s26;d27;d29s30;s7;s2d28;s32;s32;s8d9s32;s2d14s15;s16;s17;s21;s21;s11;s22;s22;s26;s27;s29;s30;s31;s33;s34;s34;s34;s35;s35;s35;s15;s15;s8;/rC:1.9927,-1.5234,-1.0622;5.6993,3.6461,.9759;-1.8536,.1094,-2.6968;-2.505,-2.5415,-3.5157;-2.7673,-3.7253,-1.8948;2.8013,1.8155,-2.151;-.2448,3.0347,.1911;-3.6173,3.3368,.8028;-2.575,2.2566,-.6026;-.219,-1.5096,-2.4587;.772,1.2548,-1.6571;-1.2698,-4.8903,.2026;.9166,3.1845,.3469;3.1792,4.0971,1.3352;4.5725,5.2248,2.8143;1.099,-1.066,-2.5662;.5419,.3695,-2.7153;-.7115,-.3248,-2.6392;-.6989,-2.7086,-2.1358;.1172,-3.5666,-1.4537;1.5498,-3.2625,-1.2663;-.3201,-4.8642,-.8979;-1.9963,-2.9938,-2.4963;1.8554,1.9346,-1.3811;1.9574,2.7548,-.2793;-2.0023,-6.0344,.4065;-1.4263,-3.8384,1.0724;3.1501,3.2216,.3075;-2.8679,-6.1765,1.5069;-2.2821,-3.9187,2.1872;-2.9918,-5.1094,2.4099;-1.2671,3.5409,.9057;4.4782,2.8901,.0094;-1.1378,3.0771,2.391;-1.2403,5.0963,.7806;-2.5208,3.0265,.3466;4.3924,4.4134,1.8048;1.6034,-1.4299,-3.4691;.6872,.8136,-3.7046;2.0861,-3.645,-2.139;1.9942,-3.7412,-.3918;.0599,1.3402,-1.0591;-.6616,-5.4553,-1.7533;.516,-5.4561,-.5099;-1.9351,-6.8306,-.2344;-.9184,-2.9591,.9482;-3.3923,-7.0425,1.6517;-2.3815,-3.1296,2.8299;-3.5978,-5.1997,3.2287;4.7654,2.2377,-.7183;-1.1498,1.9863,2.4634;-1.9465,3.4666,3.0131;-.1992,3.4207,2.8314;-1.3227,5.4058,-.2648;-2.054,5.5658,1.3373;-.3051,5.507,1.1677;3.8445,5.6717,3.1953;5.4305,5.357,3.1627;-3.6833,3.8854,1.4881; > C22 H22 N6 O7 S2 > 546.5761 > S1C([H])([H])C(C([H])([H])[N+]2C([H])=C([H])C([H])=C([H])C=2[H])=C(C(=O)[O-])N2C([C@]([H])([C@@]12[H])N([H])C(/C(/C1=C([H])SC(N([H])[H])=N1)=N\OC(C(=O)O[H])(C([H])([H])[H])C([H])([H])[H])=O)=O > 4587145 $$$$