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0 0 0 0 0 0 0 0 0 0 0 1.0959 -1.5065 -1.8957 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5274 1.1627 2.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 2.4072 -0.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7871 3.4536 -1.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3201 -1.6819 -1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4812 -2.8165 -2.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8898 3.6530 -0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1518 4.7085 -1.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1281 -0.5556 -0.7643 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7512 -2.9215 -0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1969 4.8065 -0.9754 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3158 -0.6332 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9401 -3.0696 0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7004 -1.9056 0.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6925 0.3107 4.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3483 -4.4164 0.7222 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1124 0.5950 0.2697 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7145 1.0964 -1.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8445 0.1730 -2.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1135 -0.6052 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3629 -1.2731 1.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1030 -2.6997 -0.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 -2.3049 -0.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9865 1.8173 0.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4859 2.3780 1.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4246 -0.9537 -2.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7629 1.6023 -0.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7709 3.4264 -1.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2439 -3.4311 -2.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0106 -3.4067 -1.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2661 -2.6042 -3.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8699 3.7174 -0.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6733 5.5441 -1.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0168 2.4237 2.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8457 0.3564 -1.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1942 -3.7625 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2497 1.4042 4.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5610 -1.9893 1.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 36 1 0 0 0 0 3 36 1 0 0 0 0 4 36 1 0 0 0 0 5 37 1 0 0 0 0 6 37 1 0 0 0 0 7 37 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 16 9 1 0 0 0 0 21 9 1 0 0 0 0 10 35 2 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 11 20 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 12 54 1 0 0 0 0 13 22 2 0 0 0 0 13 35 1 0 0 0 0 14 35 1 0 0 0 0 14 57 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 22 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 21 46 1 0 0 0 0 23 27 1 0 0 0 0 23 47 1 0 0 0 0 24 28 2 0 0 0 0 24 48 1 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 31 2 0 0 0 0 27 52 1 0 0 0 0 28 31 1 0 0 0 0 28 53 1 0 0 0 0 29 32 1 0 0 0 0 29 55 1 0 0 0 0 30 33 2 0 0 0 0 30 56 1 0 0 0 0 32 34 2 0 0 0 0 32 37 1 0 0 0 0 33 34 1 0 0 0 0 33 36 1 0 0 0 0 34 58 1 0 0 0 0 M END > 12 14 8 12 22 8 13 22 8 13 35 8 14 35 8 15 19 5 19 23 8 19 24 8 23 27 8 24 28 8 25 29 8 25 30 8 27 31 8 28 31 8 29 32 8 30 33 8 32 34 8 33 34 8 16 9 5 21 9 5 > InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1 > ATALOFNDEOCMKK-OITMNORJSA-N > 1/1/N:26,23,24,27,28,17,18,29,30,34,20,21,19,25,32,33,31,22,15,16,35,37,36,1,5,6,7,2,3,4,13,12,14,11,10,8,9/E:(2,3)(4,5)(8,9)(15,16)(22,23)(25,26,27,28,29,30)/it:im/rA:58cFFFFFFFOOONNNNCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;;;s12;s11;s8s9s15;s11;s8s17;s15;s11;s9;s12d13s20;d19;s19;s21;s21;s23;d24;d25;s25;s1d27s28;s29;d30;d32s33;d10s13s14;s2s3s4s33;s5s6s7s32;s15;s16;s17;s17;s18;s18;s20;s20;s21;s23;s24;s26;s26;s26;s27;s28;s12;s29;s30;s14;s34;/rC:.7984,5.9645,-.996;3.3783,-4.9487,1.5368;4.5371,-5.2674,-.3405;5.5153,-4.4649,1.448;4.3519,1.5124,.9534;5.5297,1.1662,-.908;6.2506,.4199,1.0222;-1.9814,-1.2963,-1.8905;.1709,-.6647,-1.1559;-3.498,-.3986,5.3313;-2.3642,.4621,.3445;-4.4864,1.7208,3.1475;-3.0143,.2798,3.2749;-4.6028,1.1946,4.2429;-1.8226,.945,-.9835;-1.0638,-.1933,-1.7524;-3.1508,-.8117,.1929;-2.4244,-1.8784,-.6535;-1.1089,2.2677,-.9691;-3.1069,1.4919,1.1545;1.0959,-1.5065,-1.8957;-3.5274,1.1627,2.5035;.234,2.4072,-.5433;-1.7871,3.4536,-1.3582;2.3201,-1.6819,-1.049;.4812,-2.8165,-2.4684;.8898,3.653,-.5651;-1.1518,4.7085,-1.3588;3.1281,-.5556,-.7643;2.7512,-2.9215,-.5154;.1969,4.8065,-.9754;4.3158,-.6332,.0002;3.9401,-3.0696,.2346;4.7004,-1.9056,.4799;-3.6925,.3107,4.3547;4.3483,-4.4164,.7222;5.1124,.595,.2697;-2.7145,1.0964,-1.6065;-.8445,.173,-2.7605;-4.1135,-.6052,-.285;-3.3629,-1.2731,1.1587;-3.103,-2.6997,-.8921;-1.588,-2.3049,-.0928;-3.9865,1.8173,.5894;-2.4859,2.378,1.2963;1.4246,-.9537,-2.7822;.7629,1.6023,-.2091;-2.7709,3.4264,-1.6387;1.2439,-3.4311,-2.9512;.0106,-3.4067,-1.6798;-.2661,-2.6042,-3.233;1.8699,3.7174,-.2795;-1.6733,5.5441,-1.6372;-5.0168,2.4237,2.831;2.8457,.3564,-1.1341;2.1942,-3.7625,-.674;-5.2497,1.4042,4.8856;5.561,-1.9893,1.0238; > C23 H21 F7 N4 O3 > 534.4267 > FC1C([H])=C([H])C(=C([H])C=1[H])[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])[H])C2C([H])=C(C(F)(F)F)C([H])=C(C(F)(F)F)C=2[H])OC([H])([H])C([H])([H])[N@@]1C([H])([H])C1=NC(N([H])N1[H])=O > 5293568 $$$$