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1 0 0 0 0 5 22 2 0 0 0 0 6 16 1 0 0 0 0 6 22 1 0 0 0 0 6 44 1 0 0 0 0 7 19 1 0 0 0 0 7 23 2 0 0 0 0 8 21 1 0 0 0 0 8 24 1 0 0 0 0 8 45 1 0 0 0 0 9 21 2 0 0 0 0 9 23 1 0 0 0 0 10 26 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 20 1 0 0 0 0 17 19 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 20 43 1 0 0 0 0 22 25 1 0 0 0 0 23 46 1 0 0 0 0 24 28 2 0 0 0 0 24 29 1 0 0 0 0 25 27 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 28 30 1 0 0 0 0 28 51 1 0 0 0 0 29 31 2 0 0 0 0 29 52 1 0 0 0 0 30 34 2 0 0 0 0 31 34 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 M END > 15 16 8 15 17 8 16 20 8 17 19 8 18 19 8 18 20 8 18 21 8 24 28 8 24 29 8 28 30 8 29 31 8 30 34 8 31 34 8 11 4 5 7 19 8 7 23 8 9 21 8 9 23 8 > InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1 > ULXXDDBFHOBEHA-CWDCEQMOSA-N > 1/1/N:32,33,27,25,29,31,12,26,14,28,20,17,13,23,24,11,18,30,34,19,16,15,22,21,1,2,7,9,8,6,10,5,3,4/E:(1,2)/it:im/rA:59cClFOOONNNNNCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s4;s11;s3s11;s3s12;s4;s6d15;s15;;s7d17s18;s16d18;s8d9s18;d5s6;d7s9;s8;s22;s10;d25s26;d24;s24;s1s28;d29;s10;s10;s2d30s31;s11;s12;s12;s13;s13;s14;s14;s17;s20;s6;s8;s23;s25;s26;s26;s27;s28;s29;s31;s32;s32;s32;s33;s33;s33;/rC:-4.4084,3.8524,2.536;-2.2625,3.3917,4.5851;3.2431,-3.9308,-4.6061;2.8873,-2.0685,-1.6779;-1.0268,-3.4105,-.2394;.3652,-1.9664,-.8844;3.3104,2.643,-1.7172;-.534,3.2613,-.6136;1.4882,4.031,-1.26;-3.8662,-.5265,2.717;3.5858,-2.5771,-2.7049;4.1144,-3.9992,-2.4183;2.6997,-2.7827,-3.954;3.5403,-4.8571,-3.5595;2.3761,-.9118,-1.509;1.015,-.8203,-1.1246;3.1377,.2628,-1.6935;1.1749,1.6454,-1.2146;2.5505,1.5307,-1.5453;.4201,.4642,-1.0438;.6755,2.9632,-1.0553;-.5635,-2.2966,-.0321;2.7945,3.888,-1.5859;-.9247,3.2278,.6624;-.9992,-1.5532,1.0211;-2.4425,-.9378,2.921;-1.9643,-1.8599,1.9036;-2.2876,3.473,.94;-.0547,2.9981,1.7581;-2.7655,3.5322,2.2662;-.519,3.0485,3.0823;-4.3873,.3013,3.8396;-4.2005,.0392,1.3758;-1.8724,3.328,3.3399;4.4393,-1.9419,-2.9652;5.208,-4.014,-2.4518;3.8042,-4.3881,-1.4446;2.7258,-1.9168,-4.6183;1.6511,-2.9695,-3.6936;4.2539,-5.604,-3.9123;2.6299,-5.3781,-3.2448;4.1322,.1993,-1.9222;-.5829,.5421,-.8606;.6711,-2.6856,-1.4003;-1.1501,3.5726,-1.2464;3.3851,4.7086,-1.7188;-.5642,-.6734,1.154;-2.3326,-1.4526,3.8792;-1.8204,-.038,2.9881;-2.4176,-2.7441,1.8547;-2.9454,3.6121,.1672;.9386,2.8051,1.6113;.1371,2.8896,3.8513;-4.2678,-.2102,4.796;-5.4523,.5102,3.725;-3.8603,1.2521,3.9051;-5.2635,.2709,1.2897;-3.6306,.9446,1.1705;-3.9885,-.6741,.5779; > C24 H25 Cl F N5 O3 > 485.9384 > ClC1=C(C([H])=C([H])C(=C1[H])N([H])C1C2=C([H])C(=C(C([H])=C2N=C([H])N=1)O[C@]1([H])C([H])([H])OC([H])([H])C1([H])[H])N([H])C(/C(/[H])=C(\[H])/C([H])([H])N(C([H])([H])[H])C([H])([H])[H])=O)F > 8360155 $$$$