Gaussian 16 GINC-MILES GMALLOCI remark line goes here ES64L-G16RevA.03 16-Oct-2021 Gaussian 16 25-Dec-2016 ES64L-G16RevA.03 42 42 87 87 450 (6D, 7F) 6-31G(d,p) 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 C1[X(C17H18FN3O3)] C1[X(C17H18FN3O3)] C1[X(C17H18FN3O3)] C1[X(C17H18FN3O3)] C1[X(C17H18FN3O3)] C1[X(C17H18FN3O3)] C1[X(C17H18FN3O3)] C1[X(C17H18FN3O3)] C1[X(C17H18FN3O3)] C1[X(C17H18FN3O3)] C1[X(C17H18FN3O3)] C1[X(C17H18FN3O3)] C1[X(C17H18FN3O3)] C1[X(C17H18FN3O3)] C1[X(C17H18FN3O3)] C1[X(C17H18FN3O3)] C1[X(C17H18FN3O3)] C1[X(C17H18FN3O3)] C1[X(C17H18FN3O3)] C1[X(C17H18FN3O3)] C1[X(C17H18FN3O3)] C1[X(C17H18FN3O3)] RB3LYP 6-31G(d,p) FOpt #B3LYP/6-31G(d,p) SCF(Conver=8) SCRF=(PCM,Solvent=Water) Opt(Tight) Int=UltraFine Freq Test 313.19860319999975 0 1 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2164,2.7826,.361;2.8091,2.524,.2325;5.1624,1.4595,.6808;5.5985,-.2899,-.7262;1.5285,-1.3112,-.2906;-3.1274,.1877,.0112;-5.8815,-.5181,-.2456;1.1463,-2.7265,-.4863;1.692,-3.7953,.4013;.2424,-3.4159,.481;.5507,-.2889,-.1261;2.8698,-.9817,-.2685;.966,1.0479,.0569;-.8289,-.5519,-.138;-1.7586,.4786,.026;-3.9592,.8291,-1.0161;-3.5988,-1.1171,.4878;3.3692,.2493,-.1019;2.4163,1.3744,.0768;-5.4277,.8278,-.5931;-5.0808,-1.0498,.8559;.0335,2.0797,.2209;-1.3285,1.7904,.2047;4.8232,.4153,-.1046;-6.8252,-.4245,.1018;-5.6943,-1.1027,-1.0477;1.1337,-2.5467,-1.5613;1.9054,-4.748,-.0834;2.3168,-3.451,1.2254;-.0463,-2.8325,1.3553;-.4577,-4.1295,.0465;3.6087,-1.7729,-.3953;-1.1841,-1.573,-.2769;-3.635,1.869,-1.0553;-3.8774,.199,-1.9018;-3.5066,-1.7946,-.3611;-3.0459,-1.3155,1.406;-6.0137,1.118,-1.4651;-5.4976,1.4068,.3277;-5.1787,-.3253,1.6644;-5.4236,-2.0747,.998;.3677,3.1077,.3611; g16 Output=mol.log NProcShared=52 Mem=1Gb Chk=mol #B3LYP/6-31G(d,p) SCF(Conver=8) SCRF=(PCM,Solvent=Water) Opt(Tight) In 1/7=10,18=20,19=15,26=6,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=1,6=6,7=101,11=2,25=1,30=1,70=2201,71=1,72=1,74=-5,75=-5/1,2,3 4//1 5/5=2,6=8,38=5,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/7=10,18=20,19=15,26=6/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=1,6=6,7=101,11=2,25=1,30=1,70=2205,71=1,72=1,74=-5,75=-5/1,2,3 4/5=5,16=3,69=1/1 5/5=2,6=8,38=5,53=1/2 7//1,2,3,16 1/7=10,18=20,19=15,26=6/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 remark line goes here Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 1 2 3 4 5 5 5 6 6 6 7 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 13 13 14 14 15 16 16 16 17 17 17 18 18 20 20 21 21 22 22 23 19 24 24 8 11 12 15 16 17 20 21 25 26 9 10 27 10 28 29 30 31 13 14 18 32 19 22 15 33 23 20 34 35 21 36 37 19 24 38 39 40 41 23 42 1.3406 1.2248 1.3499 1.2185 1.479 1.4242 1.3814 1.3994 1.4692 1.4669 1.4622 1.4619 1.01 1.01 1.4926 1.4926 1.09 1.5005 1.09 1.09 1.09 1.09 1.4117 1.4045 1.3388 1.09 1.4867 1.4004 1.3976 1.09 1.392 1.5282 1.09 1.09 1.5285 1.09 1.09 1.4852 1.4634 1.09 1.09 1.09 1.09 1.3925 1.09 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 8 8 11 15 15 16 20 20 20 21 21 25 5 5 5 9 10 8 8 10 10 28 8 8 9 9 30 5 5 13 5 5 18 11 11 19 11 11 15 6 6 14 6 6 6 20 20 34 6 6 6 21 21 36 12 12 19 2 2 13 7 7 7 16 16 38 7 7 7 17 17 40 13 13 23 1 1 15 3 3 4 5 5 5 6 6 6 7 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 23 23 23 24 24 24 11 12 12 16 17 17 21 25 26 25 26 26 9 10 27 27 27 28 29 28 29 29 30 31 30 31 31 13 14 14 18 32 32 19 22 22 15 33 33 14 23 23 20 34 35 34 35 35 21 36 37 36 37 37 19 24 24 13 18 18 16 38 39 38 39 39 17 40 41 40 41 41 23 42 42 15 22 22 4 18 18 121.6525 118.7704 119.5771 118.0601 119.7207 115.6928 110.1117 106.646 106.6461 106.6376 106.6375 120.0003 120.8004 120.8448 88.6056 135.1357 135.0975 115.6589 115.6589 115.7075 115.707 120.0002 115.6592 115.6593 115.7074 115.7075 119.9997 119.5194 122.6164 117.8642 125.6971 118.8966 115.4062 119.779 121.13 119.091 120.9555 119.7727 119.2719 119.7456 119.9638 120.2906 110.4946 105.8579 105.8581 107.2505 107.2504 120.0003 110.5272 105.8188 105.8189 107.2747 107.2749 119.9999 118.1754 118.3374 123.4872 121.3777 121.3703 117.2519 111.3943 105.5625 105.5623 107.1564 107.1566 120.0003 111.445 105.5425 105.5427 107.1543 107.1541 120.0002 119.7935 120.383 119.8235 120.5163 119.5175 119.9662 125.7743 109.653 124.5728 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 11 11 11 12 12 12 8 8 12 12 8 8 11 11 16 16 17 17 15 15 15 17 17 17 15 15 15 16 16 16 21 21 21 25 25 25 26 26 26 20 20 20 25 25 25 26 26 26 5 5 27 27 5 5 27 27 28 28 29 29 5 5 14 14 5 5 13 13 5 5 32 32 11 11 22 22 11 11 19 19 11 11 33 33 6 6 14 14 6 6 6 34 34 34 35 35 35 6 6 6 36 36 36 37 37 37 12 12 24 24 12 12 19 19 13 13 42 42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 9 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 22 22 22 22 8 8 8 8 8 8 11 11 11 11 12 12 12 12 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 9 9 9 9 10 10 10 10 10 10 10 10 13 13 13 13 14 14 14 14 18 18 18 18 19 19 19 19 22 22 22 22 15 15 15 15 23 23 23 23 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 19 19 19 19 24 24 24 24 23 23 23 23 9 10 27 9 10 27 13 14 13 14 18 32 18 32 14 23 14 23 20 34 35 20 34 35 21 36 37 21 36 37 16 38 39 16 38 39 16 38 39 17 40 41 17 40 41 17 40 41 28 29 28 29 30 31 30 31 30 31 30 31 19 22 19 22 15 33 15 33 19 24 19 24 2 18 2 18 23 42 23 42 6 23 6 23 1 22 1 22 7 38 39 7 38 39 7 38 39 7 40 41 7 40 41 7 40 41 2 13 2 13 3 4 3 4 1 15 1 15 -125.7907 -54.1394 90.0256 54.2257 125.877 -89.9581 -179.9611 0.0151 0.0225 179.9986 179.9746 -0.0256 -0.0095 179.9903 -119.9991 60.0521 30.4619 -149.487 -159.1439 -43.34 85.0524 49.2245 165.0283 -66.5793 159.6996 -84.4735 43.8726 -49.1687 66.6582 -164.9958 59.5662 175.5412 -56.4089 174.8897 -69.1353 58.9146 -55.7573 60.2177 -171.7324 -59.5208 56.4657 -175.5072 -174.8497 -58.8631 69.1639 55.8082 171.7947 -60.1782 -143.563 4.2331 -19.5901 128.206 -4.1612 143.635 -128.1524 19.6438 147.9576 0.0003 0.0 -147.9573 -0.0339 179.9528 179.9888 -0.0245 -179.9633 0.0367 0.0133 -179.9868 0.0079 179.9708 -179.9919 -0.029 179.9448 0.0317 -0.0422 -179.9552 0.0143 -179.9858 -179.999 0.0009 -179.9405 0.0082 0.0595 -179.9918 -0.1236 179.9297 179.9278 -0.0189 -53.3998 -168.3932 61.5935 -168.3305 76.6761 -53.3373 61.5311 -53.4623 176.5243 53.3351 -61.6597 168.33 -61.5796 -176.5744 53.4153 168.2499 53.2551 -76.7552 -179.9315 -0.0184 0.1076 -179.9793 -149.981 30.0043 29.9798 -150.0348 -179.9395 0.0078 0.0606 -179.9921 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 450 A 450 A 798 450 2064.7943853669 42 1.00e+00 60 F Berny optimization. local minimum Step number 21 out of a maximum of 252 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00175 0.00683 0.00735 0.00807 0.01045 0.01081 0.01201 0.01305 0.01565 0.01732 0.01767 0.01795 0.01907 0.02049 0.02082 0.02132 0.02137 0.02173 0.02210 0.02452 0.02572 0.02644 0.02883 0.02994 0.03118 0.03155 0.03219 0.03421 0.03841 0.04381 0.04570 0.04642 0.04672 0.05143 0.05207 0.05714 0.05972 0.06011 0.06851 0.07894 0.08027 0.08418 0.08544 0.08880 0.08961 0.09169 0.09350 0.10465 0.11018 0.12084 0.12328 0.12521 0.13906 0.14853 0.15519 0.15681 0.15939 0.16079 0.16622 0.17179 0.20590 0.21969 0.22811 0.23608 0.23862 0.24117 0.24732 0.24934 0.24964 0.25158 0.25639 0.26959 0.27140 0.28147 0.28796 0.29193 0.29876 0.31305 0.32027 0.32795 0.33023 0.33151 0.34021 0.34466 0.34622 0.34735 0.34770 0.34802 0.34806 0.34812 0.34812 0.34813 0.34814 0.34816 0.34822 0.34835 0.34848 0.34964 0.35229 0.35859 0.36627 0.37763 0.39400 0.40504 0.41484 0.41971 0.43188 0.44549 0.45496 0.45987 0.46138 0.46389 0.47641 0.48707 0.51318 0.54877 0.56448 0.64703 0.91482 0.93780 -7.28565828e-13 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 2.57063 2.35136 2.37261 2.39079 2.74267 2.63594 2.58028 2.66711 2.77933 2.76025 2.85526 2.85314 1.93504 1.93817 2.84244 2.85368 2.05571 2.84702 2.04985 2.04972 2.05057 2.05076 2.66627 2.66518 2.58850 2.04520 2.81160 2.65796 2.63541 2.04071 2.67622 2.87488 2.05623 2.08316 2.88016 2.08489 2.06335 2.75629 2.91771 2.06009 2.06139 2.06037 2.05982 2.59000 2.04802 2.10639 2.09351 2.07922 2.03721 2.05124 1.94798 1.95345 1.91832 1.91230 1.91590 1.91306 1.84784 2.08627 2.08972 1.97927 2.04517 2.04391 2.04213 2.06105 2.07836 2.04612 2.00055 2.04352 2.05225 2.04360 2.08122 2.00709 2.06717 2.11413 2.10161 2.20541 2.02115 2.05662 2.14625 2.06151 2.07542 2.11595 2.07758 2.08956 2.15031 2.08848 2.04327 1.92668 1.91801 1.93807 1.87765 1.92048 1.88143 1.92120 1.96361 1.91257 1.91663 1.86854 1.87840 2.07116 2.01892 2.19309 2.08294 2.20475 1.99517 1.91338 1.87793 1.85909 1.94892 1.94384 1.91734 1.92152 1.85835 1.87789 1.94104 1.94564 1.91634 2.10580 2.07066 2.10653 2.06740 2.07835 2.13743 2.21643 2.05292 2.01355 -2.47818 -1.25292 1.27751 0.76100 1.98626 -1.76650 -3.09829 0.01809 -0.05350 3.06289 3.11865 -0.02565 0.07312 -3.07118 -2.16494 1.02909 0.22035 -2.86880 -2.79762 -0.72933 1.35070 1.05757 3.12586 -1.07729 2.80985 -1.32959 0.75933 -1.05161 1.09214 -3.10213 0.94655 3.06926 -1.15868 3.08026 -1.08022 0.97503 -1.17933 0.94337 2.99862 -0.94829 1.15768 -3.07182 -3.08338 -0.97741 1.07628 1.17716 -3.00005 -0.94637 -2.46076 0.04080 0.04424 2.54580 -0.03296 2.46963 -2.54152 -0.03892 2.55895 0.00834 0.02248 -2.52813 0.00623 -3.13547 -3.11034 0.03115 3.13552 -0.02050 -0.03177 3.09540 -0.03818 3.09808 3.10617 -0.04076 3.14146 0.02592 -0.00002 -3.11556 -0.00091 3.11908 3.14059 -0.02262 -3.08875 0.00167 0.06736 -3.12540 -0.01531 3.12179 -3.10763 0.02947 -0.98285 -3.06236 1.07014 -3.07563 1.12804 -1.02264 1.16232 -0.91719 -3.06787 0.98278 -1.07271 3.06548 -1.18833 3.03937 0.89438 3.06042 1.00493 -1.14006 -3.12493 -0.01152 0.02259 3.13599 -2.84684 0.27087 0.28899 -2.87648 3.10693 -0.03014 -0.01261 3.13351 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00002 0.00002 0.00002 0.00002 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00002 0.00002 0.00002 0.00002 0.00000 0.00000 -0.00000 0.00000 2.57063 2.35136 2.37261 2.39079 2.74267 2.63594 2.58028 2.66710 2.77933 2.76025 2.85526 2.85314 1.93504 1.93817 2.84244 2.85368 2.05571 2.84702 2.04985 2.04972 2.05057 2.05076 2.66627 2.66518 2.58850 2.04520 2.81160 2.65796 2.63541 2.04071 2.67622 2.87488 2.05623 2.08316 2.88016 2.08489 2.06335 2.75629 2.91771 2.06009 2.06139 2.06037 2.05982 2.59000 2.04802 2.10639 2.09351 2.07922 2.03721 2.05124 1.94798 1.95345 1.91832 1.91230 1.91590 1.91306 1.84784 2.08627 2.08972 1.97927 2.04517 2.04391 2.04213 2.06105 2.07836 2.04612 2.00055 2.04352 2.05225 2.04360 2.08122 2.00709 2.06717 2.11413 2.10161 2.20541 2.02115 2.05662 2.14625 2.06151 2.07542 2.11595 2.07758 2.08956 2.15031 2.08848 2.04327 1.92668 1.91801 1.93807 1.87765 1.92048 1.88143 1.92120 1.96361 1.91257 1.91663 1.86854 1.87840 2.07116 2.01892 2.19309 2.08294 2.20475 1.99517 1.91338 1.87793 1.85909 1.94892 1.94384 1.91734 1.92152 1.85835 1.87789 1.94104 1.94564 1.91634 2.10580 2.07066 2.10653 2.06740 2.07835 2.13743 2.21643 2.05292 2.01355 -2.47818 -1.25292 1.27751 0.76100 1.98626 -1.76650 -3.09830 0.01809 -0.05350 3.06288 3.11865 -0.02565 0.07313 -3.07117 -2.16494 1.02909 0.22035 -2.86880 -2.79762 -0.72933 1.35070 1.05757 3.12586 -1.07729 2.80985 -1.32959 0.75933 -1.05161 1.09214 -3.10213 0.94655 3.06926 -1.15868 3.08026 -1.08022 0.97503 -1.17933 0.94337 2.99862 -0.94829 1.15768 -3.07182 -3.08338 -0.97741 1.07628 1.17716 -3.00005 -0.94637 -2.46076 0.04080 0.04424 2.54580 -0.03296 2.46963 -2.54152 -0.03892 2.55895 0.00834 0.02248 -2.52813 0.00623 -3.13547 -3.11034 0.03115 3.13552 -0.02050 -0.03177 3.09540 -0.03818 3.09808 3.10617 -0.04076 3.14147 0.02593 -0.00002 -3.11556 -0.00091 3.11908 3.14059 -0.02262 -3.08876 0.00167 0.06736 -3.12540 -0.01531 3.12179 -3.10763 0.02947 -0.98285 -3.06236 1.07015 -3.07563 1.12804 -1.02264 1.16232 -0.91719 -3.06787 0.98278 -1.07272 3.06548 -1.18833 3.03937 0.89438 3.06042 1.00493 -1.14006 -3.12493 -0.01152 0.02259 3.13599 -2.84682 0.27089 0.28901 -2.87647 3.10693 -0.03014 -0.01261 3.13351 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000052 0.000005 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -1.809460e-12 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 1 2 3 4 5 5 5 6 6 6 7 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 13 13 14 14 15 16 16 16 17 17 17 18 18 20 20 21 21 22 22 23 19 24 24 8 11 12 15 16 17 20 21 25 26 9 10 27 10 28 29 30 31 13 14 18 32 19 22 15 33 23 20 34 35 21 36 37 19 24 38 39 40 41 23 42 1.3603 1.2443 1.2555 1.2652 1.4514 1.3949 1.3654 1.4114 1.4708 1.4607 1.5109 1.5098 1.024 1.0256 1.5042 1.5101 1.0878 1.5066 1.0847 1.0847 1.0851 1.0852 1.4109 1.4104 1.3698 1.0823 1.4878 1.4065 1.3946 1.0799 1.4162 1.5213 1.0881 1.1024 1.5241 1.1033 1.0919 1.4586 1.544 1.0902 1.0908 1.0903 1.09 1.3706 1.0838 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 8 8 11 15 15 16 20 20 20 21 21 25 5 5 5 9 10 8 8 10 10 28 8 8 9 9 30 5 5 13 5 5 18 11 11 19 11 11 15 6 6 14 6 6 6 20 20 34 6 6 6 21 21 36 12 12 19 2 2 13 7 7 7 16 16 38 7 7 7 17 17 40 13 13 23 1 1 15 3 3 4 5 5 5 6 6 6 7 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 23 23 23 24 24 24 11 12 12 16 17 17 21 25 26 25 26 26 9 10 27 27 27 28 29 28 29 29 30 31 30 31 31 13 14 14 18 32 32 19 22 22 15 33 33 14 23 23 20 34 35 34 35 35 21 36 37 36 37 37 19 24 24 13 18 18 16 38 39 38 39 39 17 40 41 40 41 41 23 42 42 15 22 22 4 18 18 120.6873 119.9492 119.1307 116.7235 117.5274 111.6108 111.9243 109.9118 109.5669 109.7731 109.6104 105.8736 119.5347 119.732 113.4038 117.1798 117.1076 117.0057 118.0893 119.0813 117.2338 114.623 117.0849 117.5854 117.0898 119.2452 114.9977 118.4399 121.1308 120.4134 126.3606 115.8035 117.8358 122.9709 118.116 118.9131 121.2351 119.0366 119.7232 123.2037 119.6611 117.0709 110.3908 109.8941 111.0431 107.5815 110.0355 107.7978 110.0769 112.5065 109.5822 109.815 107.0595 107.6242 118.6685 115.6758 125.6548 119.3435 126.3226 114.3147 109.6285 107.5977 106.5179 111.6648 111.3737 109.8557 110.0947 106.4754 107.5952 111.2136 111.477 109.7984 120.6532 118.64 120.695 118.4532 119.0808 122.4654 126.9919 117.6237 115.3681 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 11 11 11 12 12 12 8 8 12 12 8 8 11 11 16 16 17 17 15 15 15 17 17 17 15 15 15 16 16 16 21 21 21 25 25 25 26 26 26 20 20 20 25 25 25 26 26 26 5 5 27 27 5 5 27 27 28 28 29 29 5 5 14 14 5 5 13 13 5 5 32 32 11 11 22 22 11 11 19 19 11 11 33 33 6 6 14 14 6 6 6 34 34 34 35 35 35 6 6 6 36 36 36 37 37 37 12 12 24 24 12 12 19 19 13 13 42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 9 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 22 22 22 8 8 8 8 8 8 11 11 11 11 12 12 12 12 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 9 9 9 9 10 10 10 10 10 10 10 10 13 13 13 13 14 14 14 14 18 18 18 18 19 19 19 19 22 22 22 22 15 15 15 15 23 23 23 23 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 19 19 19 19 24 24 24 24 23 23 23 9 10 27 9 10 27 13 14 13 14 18 32 18 32 14 23 14 23 20 34 35 20 34 35 21 36 37 21 36 37 16 38 39 16 38 39 16 38 39 17 40 41 17 40 41 17 40 41 28 29 28 29 30 31 30 31 30 31 30 31 19 22 19 22 15 33 15 33 19 24 19 24 2 18 2 18 23 42 23 42 6 23 6 23 1 22 1 22 7 38 39 7 38 39 7 38 39 7 40 41 7 40 41 7 40 41 2 13 2 13 3 4 3 4 1 15 1 -141.9893 -71.787 73.1959 43.602 113.8043 -101.2128 -177.5192 1.0366 -3.0653 175.4905 178.6854 -1.4697 4.1897 -175.9654 -124.0417 58.9628 12.6252 -164.3703 -160.2917 -41.7876 77.3893 60.5946 179.0987 -61.7244 160.9925 -76.18 43.5062 -60.2526 62.5748 -177.7389 54.2335 175.8555 -66.3873 176.4859 -61.8921 55.8651 -67.5707 54.0513 171.8084 -54.3332 66.3303 -176.0023 -176.6647 -56.0013 61.6662 67.4461 -171.8905 -54.223 -140.9914 2.3374 2.5348 145.8636 -1.8887 141.4995 -145.6182 -2.23 146.617 0.4779 1.288 -144.8511 0.357 -179.649 -178.2095 1.7845 179.6522 -1.1743 -1.8204 177.3531 -2.1874 177.5067 177.9706 -2.3354 179.9926 1.4853 -0.0014 -178.5087 -0.052 178.7099 179.9423 -1.2958 -176.9726 0.0955 3.8595 -179.0724 -0.877 178.8653 -178.0539 1.6884 -56.3132 -175.4603 61.3148 -176.2207 64.6322 -58.5928 66.5958 -52.5513 -175.7762 56.309 -61.462 175.6392 -68.0861 174.1429 51.2441 175.3492 57.5782 -65.3206 -179.0451 -0.6601 1.2942 179.6792 -163.1117 15.5199 16.5579 -164.8104 178.0137 -1.727 -0.7225 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2164,2.7826,.361;2.8091,2.524,.2325;5.1624,1.4595,.6808;5.5985,-.2899,-.7262;1.5285,-1.3112,-.2906;-3.1274,.1877,.0112;-5.8815,-.5181,-.2456;1.1463,-2.7265,-.4863;1.692,-3.7953,.4013;.2424,-3.4159,.481;.5507,-.2889,-.1261;2.8698,-.9817,-.2685;.966,1.0479,.0569;-.8289,-.5519,-.138;-1.7586,.4786,.026;-3.9592,.8291,-1.0161;-3.5988,-1.1171,.4878;3.3692,.2493,-.1019;2.4163,1.3744,.0768;-5.4277,.8278,-.5931;-5.0808,-1.0498,.8559;.0335,2.0797,.2209;-1.3285,1.7904,.2047;4.8232,.4153,-.1046;-6.8252,-.4245,.1018;-5.6943,-1.1027,-1.0477;1.1337,-2.5467,-1.5613;1.9054,-4.748,-.0834;2.3168,-3.451,1.2254;-.0463,-2.8325,1.3553;-.4577,-4.1295,.0465;3.6087,-1.7729,-.3953;-1.1841,-1.573,-.2769;-3.635,1.869,-1.0553;-3.8774,.199,-1.9018;-3.5066,-1.7946,-.3611;-3.0459,-1.3155,1.406;-6.0137,1.118,-1.4651;-5.4976,1.4068,.3277;-5.1787,-.3253,1.6644;-5.4236,-2.0747,.998;.3677,3.1077,.3611; 0.000000 5.033789 0.000000 7.503303 2.621479 0.000000 8.467285 4.076505 2.286970 0.000000 5.586417 4.077049 4.671790 4.218732 0.000000 2.772325 6.383518 8.413479 8.770017 4.900529 0.000000 4.969461 9.220059 11.257746 11.492321 7.452458 2.854675 0.000000 6.509674 5.554217 5.917244 5.081009 1.479003 5.196593 7.370545 0.000000 7.651535 6.419498 6.303548 5.368410 2.583836 6.264430 8.277465 1.492634 0.000000 6.669445 6.475501 6.929347 6.317991 2.584411 4.956026 6.813761 1.492641 1.500545 0.000000 4.162718 3.625103 4.997576 5.083346 1.424167 3.711390 6.437392 2.535030 3.724991 3.200273 0.000000 6.358904 3.541838 3.480897 2.851996 1.381356 6.116546 8.763601 2.462157 3.122850 3.659277 2.424557 0.000000 3.637215 2.367852 4.262445 4.884978 2.450003 4.183056 7.030798 3.817548 4.909407 4.541912 1.411736 2.801717 0.000000 3.645963 4.778439 6.372742 6.459574 2.481362 2.419167 5.053859 2.958313 4.143118 3.119830 1.404495 3.725874 2.412263 0.000000 2.372809 5.009011 7.020767 7.435275 3.756148 1.399448 4.250351 4.355865 5.505789 4.402063 2.438249 4.862231 2.783613 1.397558 0.000000 2.958026 7.088129 9.299487 9.627348 5.934820 1.469228 2.470598 6.244126 7.438425 6.157498 4.730880 7.104445 5.045473 3.532280 2.459972 0.000000 4.139416 7.374549 9.134262 9.313881 5.189681 1.466925 2.471315 5.104411 5.930666 4.476533 4.275645 6.514070 5.070532 2.895414 2.479083 2.485819 0.000000 6.150676 2.366389 2.300602 2.377029 2.420526 6.497876 9.283588 3.734225 4.407380 4.852869 2.869527 1.338849 2.537390 4.274022 5.134517 7.407927 7.125154 0.000000 4.850331 1.224792 2.813027 3.679823 2.852301 5.669671 8.516982 4.329822 5.230269 5.276002 2.507628 2.424067 1.486731 3.779959 4.270226 6.491439 6.523643 1.485194 0.000000 3.878659 8.450064 10.685134 11.083504 7.283924 2.462983 1.462237 7.474084 8.547047 7.163289 6.099703 8.498715 6.430423 4.822826 3.737315 1.528209 2.880253 8.829575 7.891506 0.000000 4.810094 8.683962 10.547530 10.822566 6.713095 2.461848 1.461892 6.587078 7.322244 5.837417 5.766896 8.030003 6.450003 4.394815 3.749900 2.879694 1.528513 8.602764 7.917718 2.396940 0.000000 2.361302 2.810959 5.186692 6.122191 3.740970 3.689841 6.477145 4.983775 6.107274 5.505716 2.449116 4.201938 1.400380 2.792465 2.411043 4.363006 4.846067 3.818568 2.489166 5.661674 6.029350 0.000000 1.340618 4.202223 6.516744 7.292294 4.245903 2.417050 5.124622 5.196586 6.353119 5.445147 2.822111 5.053136 2.416171 2.419383 1.392027 3.055329 3.699725 4.953522 3.770005 4.285618 4.750848 1.392480 0.000000 7.441563 2.935447 1.349912 1.218517 3.724305 7.954700 10.746242 4.851412 5.271575 6.000396 4.330198 2.407124 3.912066 5.734355 6.583400 8.839265 8.580750 1.463448 2.597296 10.270820 10.057748 5.081083 6.311100 0.000000 5.620887 10.076290 12.148603 12.452039 8.409834 3.749284 1.010003 8.318085 9.164897 7.683994 7.380716 9.718104 7.929290 6.002495 5.147070 3.321977 3.322443 10.218726 9.415042 2.001090 2.000684 7.302589 5.927121 11.680510 0.000000 5.401395 9.332657 11.288009 11.326523 7.265313 3.061858 1.010003 7.053023 7.994157 6.552233 6.364819 8.600274 7.085474 4.980209 4.375216 2.596747 2.597849 9.212406 8.554607 2.001092 2.000683 6.674116 5.384981 10.668194 1.749379 0.000000 6.581824 5.633562 6.107965 5.071980 1.815789 5.301609 7.420226 1.089999 2.392149 2.391836 2.738166 2.671078 3.945648 3.139593 4.476351 6.134442 5.351582 3.865884 4.438887 7.441583 6.834028 5.078451 5.290753 4.950547 8.403266 6.997882 0.000000 8.596327 7.334727 7.051575 5.824643 3.463603 7.049785 8.863110 2.196600 1.090000 2.204246 4.660539 3.892197 5.873208 5.008669 6.383917 8.146649 6.618631 5.207288 6.145754 9.226277 7.960303 7.086191 7.300131 5.930711 9.744309 8.483724 2.761389 0.000000 7.756005 6.076938 5.701501 4.956896 2.738364 6.659911 8.830556 2.196602 1.090002 2.204242 3.865863 2.938558 4.840512 4.489936 5.787036 7.920389 6.402038 4.069601 4.961247 9.032899 7.786368 6.067261 6.465519 4.795756 9.695360 8.652129 3.159631 1.887939 0.000000 6.101468 6.173043 6.782842 6.531564 2.739250 4.519053 6.478380 2.196609 2.204245 1.089999 3.003519 3.816537 4.215263 2.836168 3.957626 5.860224 4.039275 4.825636 5.039572 6.793685 5.364139 5.042162 4.933519 6.032553 7.302348 6.377030 3.159242 3.089996 2.446169 0.000000 7.139263 7.414551 7.951391 7.212288 3.464308 5.076102 6.522674 2.196614 2.204248 1.090003 3.974527 4.591305 5.369588 3.601538 4.788254 6.162588 4.374453 5.817303 6.209159 7.048756 5.613623 6.231038 5.985695 6.968920 7.367203 6.146596 2.760954 2.446180 3.089996 1.887934 0.000000 7.433484 4.415547 3.744399 2.503616 2.133407 7.027408 9.573979 2.642169 2.898000 3.846994 3.409724 1.090000 3.891715 4.609716 5.835655 8.026776 7.290967 2.057385 3.398582 9.405295 8.808861 5.291931 6.118277 2.519486 10.532464 9.349860 2.843217 3.442306 2.666786 4.188857 4.720627 0.000000 4.521506 5.743722 7.098651 6.917472 2.725201 2.638121 4.814538 2.608632 3.697317 2.450581 2.163582 4.096768 3.406373 1.090003 2.151968 3.744070 2.573623 4.907508 4.666364 4.885942 4.091636 3.882342 3.400788 6.330108 5.769353 4.599697 2.823123 4.434284 4.247357 2.354778 2.677273 4.798399 0.000000 2.202929 6.604090 8.976428 9.488266 6.112331 2.054736 3.376489 6.656105 7.910972 6.732392 4.800033 7.145517 4.804225 3.817937 2.573601 1.090001 3.361459 7.252005 6.176142 2.124025 3.776570 3.889862 2.629400 8.634733 4.095954 3.615451 6.518900 8.684834 8.302366 6.387089 6.876910 8.134558 4.296615 0.000000 3.814957 7.393888 9.485562 9.561017 5.839513 2.054741 2.696959 5.983248 7.230233 5.976406 4.795704 7.041721 5.292938 3.601086 2.878122 1.090005 2.742197 7.466912 6.701234 2.124027 3.257661 4.830902 3.669667 8.886870 3.618423 2.392652 5.724156 7.824317 7.840281 5.871626 5.850288 7.886644 3.610292 1.887943 0.000000 4.810023 7.673987 9.318028 9.235786 5.058718 2.052246 2.698688 4.746946 5.622234 4.170467 4.334021 6.428649 5.315847 2.960394 2.893528 2.741788 1.090004 7.177804 6.731606 3.259024 2.124608 5.280220 4.232736 8.621744 3.620058 2.394990 4.851660 6.171702 6.258852 3.999662 3.861853 7.115405 2.334582 3.730983 2.546611 0.000000 4.309833 7.099304 8.694997 8.962361 4.878896 2.052248 3.377005 4.811051 5.441184 4.010008 4.041883 6.157186 4.847803 2.807512 2.603916 3.361542 1.090006 6.773182 6.232024 3.776647 2.124611 4.734416 3.746907 8.197590 4.096115 3.616554 5.271618 6.206121 5.775127 3.361799 4.057763 6.909259 2.522844 4.067705 3.731775 1.887943 0.000000 4.530528 9.094043 11.385431 11.720599 8.010362 3.372830 2.044862 8.185616 9.327503 7.967607 6.845750 9.206410 7.144118 5.606461 4.553963 2.122794 3.826415 9.521173 8.573744 1.090001 3.310107 6.351134 5.019174 10.944601 2.343738 2.281996 8.032783 9.951491 9.874890 7.692347 7.790431 10.104130 5.655023 2.527938 2.366274 3.998434 4.793040 0.000000 3.558083 8.382000 10.665945 11.274414 7.558812 2.684056 2.044856 7.866893 8.874536 7.498625 6.297857 8.722007 6.479191 5.084287 3.864264 2.122793 3.162455 8.952321 7.917914 1.089996 2.547083 5.572873 4.188486 10.377298 2.273241 2.868441 7.948152 9.636144 9.244973 6.981739 7.492016 9.672533 5.277438 2.365472 3.009074 3.832406 3.818949 1.887936 0.000000 4.486982 8.600778 10.539959 11.039181 7.055497 2.684009 2.044299 7.099038 7.800143 6.351384 6.002735 8.303296 6.498207 4.713853 3.876526 3.163031 2.123027 8.747343 7.943112 2.547139 1.089995 5.918992 4.629335 10.184067 2.272163 2.867987 7.428727 8.532252 8.132984 5.720410 6.275097 9.140895 4.613250 3.820284 3.832175 3.009514 2.365572 3.546028 2.211021 0.000000 5.855359 9.461055 11.164895 11.298031 7.111639 3.371172 2.044306 6.766973 7.344975 5.845508 6.336020 8.460467 7.173803 4.972007 4.571262 3.825329 2.123029 9.161026 8.614473 3.309995 1.090001 6.902387 5.686669 10.602504 2.343240 2.280998 7.054904 7.875986 7.865162 5.442225 5.457844 9.144148 4.455429 4.792496 3.996139 2.366596 2.529083 4.075336 3.546207 1.887934 0.000000 2.604467 2.513495 5.080142 6.331436 4.615051 4.567762 7.250303 5.946595 7.028977 6.525884 3.436223 4.835282 2.166381 3.882460 3.397870 5.080426 5.796373 4.170579 2.698492 6.300401 6.871361 1.089997 2.153320 5.226594 8.017623 7.513915 6.021208 8.017093 6.896580 6.037056 7.290885 5.907335 4.972316 4.422913 5.621537 6.289955 5.684115 6.929438 6.106999 6.651781 7.797556 0.000000 C17H18FN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0618,-2.8127,-.3689;2.964,-2.5678,-.2271;5.3213,-1.5089,-.6677;5.7584,.2372,.743;1.6923,1.27,.2984;-2.9668,-.2159,-.0176;-5.7196,.4969,.2331;1.3134,2.6861,.4952;1.8642,3.7547,-.3894;.4138,3.3793,-.4734;.7122,.2506,.1299;3.0328,.937,.2793;1.1244,-1.087,-.054;-.6667,.5173,.1386;-1.5987,-.5105,-.0293;-3.803,-.8566,1.0066;-3.4335,1.0908,-.4935;3.5293,-.2951,.1121;2.5739,-1.4174,-.0707;-5.2703,-.8508,.5798;-4.9147,1.028,-.8655;.1896,-2.1161,-.222;-1.1717,-1.8232,-.2089;4.9828,-.465,.1183;-6.6627,.4063,-.1169;-5.5329,1.0797,1.0365;1.2976,2.5048,1.5699;2.079,4.7061,.0972;2.4903,3.41,-1.2124;.1259,2.798,-1.3494;-.2855,4.0942,-.0397;3.7735,1.726,.4091;-1.0195,1.5392,.278;-3.4817,-1.8975,1.0451;-3.7217,-.228,1.8934;-3.3416,1.7668,.3566;-2.8777,1.2891,-1.41;-5.8594,-1.1406,1.4499;-5.3394,-1.4282,-.3421;-5.0124,.305,-1.6753;-5.2544,2.054,-1.007;.5214,-3.1447,-.3628; 0.4650260 0.1301779 0.1050892 -24.72101 -19.09276 -19.06104 -19.02451 -14.48031 -14.38808 -14.35844 -10.27335 -10.26321 -10.26156 -10.24558 -10.24553 -10.24517 -10.24353 -10.24241 -10.23835 -10.23302 -10.22167 -10.20293 -10.20245 -10.20137 -10.19922 -10.19645 -10.16135 -1.23463 -1.06034 -1.00301 -0.98473 -0.97599 -0.96076 -0.87390 -0.86175 -0.85394 -0.81991 -0.78536 -0.77679 -0.75178 -0.72567 -0.69885 -0.67129 -0.64930 -0.64010 -0.63826 -0.60877 -0.60213 -0.58377 -0.57008 -0.55448 -0.53151 -0.52154 -0.51906 -0.51512 -0.50657 -0.50304 -0.49260 -0.48477 -0.47264 -0.46760 -0.45487 -0.44333 -0.43236 -0.42844 -0.42446 -0.41748 -0.41509 -0.40339 -0.39690 -0.39452 -0.38834 -0.38450 -0.38172 -0.36778 -0.36613 -0.35883 -0.35096 -0.34086 -0.33839 -0.31138 -0.30976 -0.28073 -0.25771 -0.22786 -0.21770 -0.20716 -0.20306 -0.18888 -0.16695 -0.03933 -0.00983 0.01902 0.02472 0.06906 0.07167 0.08248 0.08983 0.09630 0.10466 0.10748 0.10863 0.11370 0.12323 0.12507 0.13510 0.14042 0.14207 0.14886 0.15043 0.15398 0.15807 0.17057 0.17891 0.18063 0.18941 0.19652 0.20827 0.21041 0.21313 0.21863 0.23211 0.23732 0.24318 0.25235 0.26749 0.27849 0.28755 0.29738 0.30661 0.32299 0.35092 0.36280 0.37198 0.39336 0.41397 0.43593 0.44519 0.46226 0.46328 0.48001 0.48594 0.49020 0.49799 0.50133 0.50845 0.51188 0.51887 0.52208 0.53836 0.54194 0.54554 0.55388 0.55857 0.56745 0.56778 0.58440 0.58729 0.59850 0.60447 0.61244 0.61721 0.62137 0.63131 0.63234 0.64055 0.64595 0.65886 0.66551 0.67102 0.69327 0.69870 0.70410 0.71268 0.71810 0.73025 0.73861 0.74523 0.74741 0.75195 0.76081 0.77669 0.78301 0.78940 0.79295 0.79527 0.80091 0.80699 0.81122 0.82091 0.82466 0.83062 0.83761 0.84373 0.84735 0.86829 0.87115 0.87690 0.88650 0.89157 0.89883 0.90669 0.91051 0.91707 0.93170 0.93591 0.94470 0.95034 0.95804 0.97516 0.98598 0.99553 1.00887 1.01638 1.03647 1.04062 1.04868 1.06627 1.08034 1.10110 1.11363 1.11834 1.13082 1.14408 1.15873 1.16682 1.17266 1.19235 1.20007 1.20510 1.21443 1.22207 1.23939 1.26410 1.26937 1.27576 1.28305 1.28589 1.29790 1.31214 1.32773 1.33700 1.36751 1.37852 1.38829 1.39375 1.40901 1.43477 1.44043 1.44338 1.45386 1.46264 1.47743 1.49423 1.51098 1.52341 1.53388 1.54862 1.56186 1.57870 1.59615 1.61248 1.62480 1.64989 1.66873 1.68027 1.68984 1.70500 1.71198 1.72359 1.73120 1.73760 1.74765 1.75654 1.76950 1.77892 1.78236 1.78983 1.79409 1.79835 1.81029 1.81495 1.82177 1.82982 1.84050 1.85095 1.85604 1.86646 1.87095 1.88124 1.88603 1.90363 1.90703 1.91551 1.91667 1.92729 1.92797 1.93958 1.95278 1.95550 1.96457 1.97503 1.99090 1.99430 1.99736 2.00361 2.02372 2.03284 2.04690 2.05272 2.05769 2.06454 2.06806 2.08174 2.09502 2.10147 2.10374 2.11643 2.12324 2.12885 2.14331 2.14519 2.16158 2.17027 2.18563 2.19564 2.21225 2.21841 2.24021 2.25493 2.25908 2.26735 2.26850 2.28450 2.29703 2.30798 2.31213 2.31772 2.32134 2.32471 2.32758 2.33777 2.34702 2.36783 2.37325 2.38508 2.39818 2.40373 2.41684 2.42839 2.44477 2.44783 2.46822 2.47512 2.48710 2.49791 2.50428 2.52380 2.52864 2.53387 2.54472 2.55584 2.56012 2.57629 2.58510 2.59115 2.59582 2.61072 2.61960 2.64053 2.65563 2.67007 2.67888 2.68948 2.70152 2.71325 2.71893 2.72528 2.73516 2.75621 2.77676 2.78126 2.78360 2.79749 2.79964 2.80524 2.82562 2.84209 2.84578 2.85022 2.85475 2.85688 2.87686 2.89159 2.92332 2.92886 2.93028 2.97837 2.98951 3.00180 3.01169 3.03385 3.04848 3.07731 3.09293 3.12330 3.14359 3.19611 3.20447 3.21755 3.23129 3.26975 3.28779 3.29526 3.30228 3.32416 3.37171 3.38057 3.39795 3.43506 3.43642 3.44356 3.46208 3.48062 3.51689 3.51798 3.52500 3.62170 3.70219 3.88855 4.00978 4.05333 4.12252 4.15247 4.17333 4.19343 4.22066 4.23891 4.31654 4.38417 4.39829 4.43779 4.46473 4.47383 4.53796 4.57693 4.64231 4.65528 4.68265 4.70988 4.73551 4.89851 5.80646 1-A. -54.9186 14.6255 2.0205 56.8687 -142.0715 -138.0991 -133.7845 23.0012 -4.4115 -6.4021 -4.0864 -0.1141 4.2005 23.0012 -4.4115 -6.4021 -1808.5596 78.4738 -0.9607 -102.5782 221.9500 32.7398 -56.6320 0.0110 14.7624 -21.4369 -9048.6566 -2536.8224 -337.6405 348.2105 -205.8980 185.2903 16.0078 -12.2702 6.3258 -2132.5439 -1566.3840 -492.0481 -157.0586 29.7345 6.9553 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.219,2.767,.3709;2.7518,2.5943,.247;5.3294,1.3297,.6905;5.544,-.3978,-.7556;1.5207,-1.2907,-.2855;-3.1455,.1815,.006;-5.9078,-.5071,-.2538;1.1514,-2.7218,-.4933;1.7493,-3.7498,.4069;.2819,-3.3997,.5142;.5545,-.2841,-.1163;2.8509,-.9524,-.2691;.9782,1.0534,.0697;-.8253,-.5593,-.143;-1.7681,.4601,.0217;-3.973,.8424,-1.0192;-3.6136,-1.1368,.4565;3.3689,.2892,-.0906;2.4196,1.417,.097;-5.4442,.8667,-.5923;-5.092,-1.0725,.8557;.0309,2.0713,.2308;-1.3218,1.7753,.2106;4.8583,.3966,-.1048;-6.8645,-.4298,.0816;-5.756,-1.0925,-1.0731;1.0877,-2.6643,-1.5804;1.9723,-4.7138,-.0426;2.4047,-3.3713,1.1868;-.0152,-2.7949,1.3662;-.4121,-4.1443,.1325;3.5626,-1.7629,-.411;-1.1714,-1.575,-.2949;-3.6439,1.8782,-1.0697;-3.8948,.2464,-1.9364;-3.5235,-1.8322,-.3869;-3.0522,-1.3748,1.3589;-6.0375,1.1933,-1.4464;-5.5202,1.4484,.3266;-5.1886,-.3763,1.6892;-5.4414,-2.0936,1.0086;.3612,3.0961,.3756; 0.000000 4.975419 0.000000 7.690712 2.905131 0.000000 8.458719 4.213543 2.263016 0.000000 5.557134 4.110073 4.724972 4.147951 0.000000 2.770657 6.376375 8.579656 8.742014 4.901573 0.000000 4.971613 9.211885 11.425426 11.463344 7.469795 2.858685 0.000000 6.498768 5.600978 5.939045 4.976505 1.492543 5.209723 7.402329 0.000000 7.630083 6.424864 6.220880 5.195003 2.564959 6.290818 8.341644 1.491555 0.000000 6.656062 6.488432 6.919197 6.189820 2.573299 4.982929 6.875271 1.493494 1.512393 0.000000 4.152017 3.639476 5.104436 5.031619 1.405503 3.731130 6.467591 2.537877 3.703033 3.190363 0.000000 6.320444 3.585400 3.503060 2.792317 1.372685 6.108850 8.770064 2.463697 3.081638 3.633562 2.396578 0.000000 3.639949 2.356197 4.403972 4.861494 2.432187 4.215300 7.067988 3.820940 4.876437 4.529060 1.415332 2.765004 0.000000 3.642934 4.784664 6.491762 6.400736 2.461484 2.440124 5.084010 2.950668 4.136452 3.118554 1.407175 3.699312 2.428681 0.000000 2.376372 5.003567 7.181811 7.403219 3.738462 1.405334 4.260082 4.348948 5.499457 4.398055 2.442825 4.838935 2.810063 1.398297 0.000000 2.951784 7.063737 9.470793 9.601146 5.938825 1.474010 2.479970 6.264174 7.474450 6.200881 4.752124 7.095802 5.073922 3.555416 2.468053 0.000000 4.146269 7.381273 9.279815 9.266973 5.189893 1.469623 2.482853 5.110691 5.965793 4.505405 4.292748 6.507704 5.102014 2.909875 2.478842 2.494789 0.000000 6.130050 2.410010 2.352910 2.375993 2.439277 6.515980 9.312256 3.761136 4.380035 4.848018 2.872349 1.357098 2.515020 4.279469 5.141096 7.421082 7.147561 0.000000 4.838879 1.232395 2.970959 3.712442 2.878612 5.701349 8.554043 4.368906 5.219400 5.286279 2.533442 2.436017 1.486879 3.806963 4.296369 6.514785 6.561308 1.486029 0.000000 3.865306 8.418056 10.859545 11.061901 7.297783 2.472126 1.488842 7.509193 8.605575 7.225890 6.126543 8.498343 6.459059 4.854827 3.749072 1.532003 2.909413 8.846201 7.913117 0.000000 4.819852 8.679981 10.695975 10.778540 6.714016 2.466479 1.488711 6.596963 7.360211 5.866103 5.783530 8.023091 6.479542 4.412003 3.754021 2.904184 1.532746 8.621884 7.949745 2.445623 0.000000 2.359177 2.770835 5.369898 6.120796 3.713391 3.702846 6.492348 4.975328 6.072016 5.484031 2.437753 4.164754 1.399778 2.791527 2.424048 4.370804 4.860490 3.797573 2.480359 5.666091 6.042992 0.000000 1.346954 4.155362 6.683404 7.266051 4.210256 2.430563 5.143513 5.180340 6.324303 5.426219 2.805072 5.008189 2.414723 2.412805 1.401592 3.067798 3.713798 4.929707 3.760299 4.296941 4.768660 1.384864 0.000000 7.478929 3.064479 1.313424 1.234773 3.744259 8.007460 10.805027 4.859748 5.207788 5.978178 4.357372 2.424120 3.939236 5.763556 6.627969 8.889765 8.627826 1.493362 2.651280 10.324726 10.103974 5.120713 6.339926 0.000000 5.646601 10.082037 12.335274 12.436828 8.437318 3.769736 1.016786 8.356962 9.237222 7.751047 7.423093 9.735840 7.981745 6.044833 5.173880 3.345332 3.348004 10.260125 9.466107 2.037774 2.038155 7.336509 5.966614 11.753451 0.000000 5.430600 9.365842 11.483202 11.325832 7.321894 3.098773 1.018348 7.120583 8.098220 6.655730 6.433605 8.645553 7.159632 5.045959 4.417295 2.631707 2.632801 9.281096 8.631825 2.041269 2.039994 6.722936 5.434505 10.761944 1.732482 0.000000 6.651420 5.810485 6.253075 5.067184 1.936742 5.341795 7.439809 1.090490 2.359168 2.361685 2.844849 2.785540 4.068956 3.186981 4.525970 6.182480 5.346431 4.018307 4.609248 7.490610 6.830627 5.179118 5.359393 5.075833 8.425780 7.040197 0.000000 8.584973 7.355288 6.952070 5.647444 3.461310 7.082255 8.935233 2.201179 1.086796 2.212399 4.651669 3.869333 5.853391 5.009684 6.384731 8.195923 6.651842 5.194528 6.148752 9.297773 7.998217 7.062708 7.281747 5.869339 9.821358 8.596712 2.710732 0.000000 7.728065 6.049135 5.558741 4.740312 2.697784 6.694802 8.909340 2.194433 1.086800 2.226978 3.827781 2.858337 4.781304 4.484209 5.783523 7.955933 6.461082 3.995102 4.910810 9.095573 7.848193 6.014178 6.428577 4.678229 9.787333 8.769080 3.145169 1.871077 0.000000 6.064848 6.160583 6.784825 6.415116 2.711088 4.528527 6.525444 2.196432 2.223887 1.086304 2.970945 3.779432 4.180597 2.816352 3.933889 5.880880 4.065125 4.804831 5.027920 6.834935 5.385272 4.997097 4.891731 6.008426 7.359155 6.465705 3.149049 3.101239 2.494035 0.000000 7.147553 7.445280 7.952407 7.092321 3.471799 5.118501 6.601582 2.204443 2.214170 1.087084 3.987096 4.582264 5.380787 3.619200 4.801160 6.234859 4.404447 5.831112 6.240867 7.138345 5.644456 6.232090 5.989511 6.960864 7.445359 6.270867 2.715542 2.457822 3.105386 1.870935 0.000000 7.386356 4.480557 3.728137 2.430760 2.099493 6.996570 9.554560 2.596189 2.811563 3.781230 3.364835 1.087883 3.852503 4.557802 5.791810 7.996421 7.255431 2.085985 3.417064 9.384475 8.773978 5.252207 6.063172 2.536958 10.523511 9.366089 2.881850 3.372301 2.545713 4.126018 4.665248 0.000000 4.515980 5.750516 7.188065 6.833361 2.707058 2.659468 4.855516 2.598016 3.708432 2.468975 2.162595 4.070291 3.414984 1.083764 2.144294 3.770676 2.592462 4.912353 4.690559 4.930210 4.116757 3.875202 3.391509 6.346708 5.819406 4.675197 2.818282 4.449578 4.267312 2.363055 2.712956 4.739079 0.000000 2.212564 6.569005 9.160733 9.470819 6.109808 2.069835 3.388255 6.669840 7.933540 6.765794 4.817752 7.129910 4.831336 3.839874 2.592393 1.087976 3.379323 7.256908 6.191942 2.119431 3.809270 3.902867 2.653582 8.684114 4.126120 3.645012 6.578980 8.720753 8.320671 6.398321 6.939693 8.100878 4.317205 0.000000 3.805932 7.379505 9.651901 9.534145 5.866461 2.082906 2.729699 6.029625 7.301807 6.061666 4.836312 7.051333 5.331149 3.645184 2.898692 1.096628 2.778159 7.494645 6.736223 2.142883 3.311930 4.841232 3.683304 8.943926 3.653699 2.449972 5.781342 7.912870 7.907287 5.933639 5.973891 7.872475 3.664593 1.864626 0.000000 4.840307 7.705573 9.462165 9.187714 5.074218 2.086152 2.731014 4.759981 5.666560 4.213087 4.370332 6.435966 5.366606 2.993378 2.915978 2.784849 1.096782 7.217601 6.790646 3.318851 2.140377 5.315290 4.268246 8.677707 3.653571 2.449906 4.835338 6.215068 6.323668 4.038376 3.911041 7.086465 2.367962 3.774584 2.619072 0.000000 4.338832 7.118837 8.832511 8.906270 4.860359 2.064296 3.392392 4.787015 5.440715 3.991228 4.046530 6.138108 4.878805 2.807165 2.608480 3.379302 1.089141 6.789789 6.271248 3.814840 2.122585 4.759614 3.773076 8.237578 4.130168 3.647600 5.238483 6.193516 5.813178 3.352619 4.017938 6.858471 2.512506 4.102469 3.767984 1.865235 0.000000 4.512167 9.059933 11.566789 11.710658 8.040126 3.390687 2.080914 8.241094 9.407569 8.054390 6.885166 9.219183 7.178943 5.651313 4.573851 2.137161 3.863319 9.546482 8.599694 1.090024 3.365599 6.356776 5.032034 11.006947 2.377682 2.333108 8.103504 10.050947 9.951811 7.751382 7.913699 10.098090 5.715624 2.517978 2.393288 4.073803 4.834949 0.000000 3.555066 8.351426 10.856372 11.269288 7.579705 2.710598 2.076281 7.910315 8.937203 7.563293 6.332433 8.728953 6.515440 5.127745 3.892028 2.138253 3.214848 8.974083 7.943234 1.090219 2.611188 5.586736 4.212679 10.440626 2.322688 2.910500 8.013462 9.708138 9.315203 7.027907 7.576808 9.661944 5.332885 2.377968 3.034469 3.906151 3.889399 1.864428 0.000000 4.520728 8.599754 10.702209 11.007627 7.053450 2.705373 2.075997 7.103579 7.820472 6.359895 6.020959 8.294679 6.534256 4.735971 3.896176 3.209146 2.139832 8.765971 7.977296 2.610685 1.090340 5.946498 4.665594 10.235124 2.322898 2.909543 7.437624 8.549466 8.178052 5.719987 6.279799 9.105879 4.638098 3.883341 3.899649 3.033549 2.381269 3.607804 2.301368 0.000000 5.866478 9.470223 11.306184 11.254653 7.126697 3.384117 2.080437 6.790776 7.403418 5.891186 6.363158 8.467420 7.210803 4.998848 4.581266 3.858494 2.135698 9.192766 8.657430 3.365388 1.089967 6.920725 5.707475 10.654797 2.377551 2.331201 7.046813 7.933100 7.951388 5.482973 5.501449 9.121145 4.494522 4.829578 4.067014 2.386148 2.519396 4.145551 3.607908 1.864478 0.000000 2.601150 2.446122 5.282281 6.352053 4.585412 4.574789 7.258082 5.935332 6.985341 6.497759 3.421333 4.796330 2.155663 3.877989 3.407049 5.080402 5.807129 4.140333 2.670976 6.293628 6.880813 1.086466 2.145837 5.267115 8.045503 7.554074 6.126703 7.985371 6.830896 5.985580 7.285635 5.871758 4.961647 4.428665 5.619572 6.321459 5.710348 6.919801 6.108069 6.677131 7.810488 0.000000 C17H18FN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0818,-2.7886,-.38;2.8897,-2.6568,-.2349;5.4794,-1.4129,-.6659;5.7021,.3109,.7832;1.6883,1.2375,.2974;-2.9885,-.1959,-.0157;-5.7462,.5149,.2334;1.3298,2.6713,.5054;1.9399,3.6955,-.391;.4702,3.3575,-.5049;.7145,.2391,.1228;3.0157,.8883,.2861;1.128,-1.1017,-.0631;-.663,.5255,.144;-1.6135,-.4859,-.0259;-3.8258,-.8513,1.0052;-3.4439,1.1266,-.4664;3.5243,-.3573,.1082;2.5666,-1.4771,-.0848;-5.2953,-.863,.5721;-4.9211,1.075,-.872;.1731,-2.1115,-.2296;-1.1772,-1.8044,-.2146;5.0127,-.477,.1286;-6.7021,.4459,-.1062;-5.5931,1.0981,1.054;1.2611,2.613,1.5922;2.169,4.6571,.0607;2.5955,3.3125,-1.1686;.1717,2.7563,-1.359;-.2193,4.1073,-.1252;3.7334,1.6927,.432;-1.0014,1.5439,.2957;-3.5054,-1.8898,1.0557;-3.7465,-.2572,1.9235;-3.3517,1.8202,.3781;-2.8768,1.3612,-1.3662;-5.8949,-1.1858,1.4232;-5.3722,-1.4429,-.3479;-5.0199,.3807,-1.7068;-5.2614,2.0991,-1.025;.4956,-3.1389,-.3743; 0.4664459 0.1289873 0.1044558 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2123,2.7324,.3698;2.7651,2.6073,.2722;5.3428,1.3611,.608;5.4746,-.3882,-.7988;1.4984,-1.2983,-.2553;-3.1802,.1826,-.0194;-5.9558,-.4344,-.2499;1.1557,-2.7299,-.4734;1.8831,-3.6957,.4165;.4133,-3.4107,.6447;.5475,-.3101,-.0985;2.8125,-.9555,-.2607;.9991,1.0226,.082;-.8359,-.5865,-.1758;-1.7904,.4202,-.0152;-3.9977,.8971,-1.013;-3.6441,-1.1652,.315;3.3381,.3042,-.0649;2.4335,1.4143,.1229;-5.4554,.9771,-.5449;-5.0945,-1.1101,.8126;.0311,2.0303,.2279;-1.303,1.7343,.1984;4.8681,.4254,-.0401;-6.9317,-.3994,.0651;-5.9377,-.9945,-1.1119;.9568,-2.9838,-1.5109;2.1283,-4.6653,.0029;2.6126,-3.2811,1.0991;.1295,-2.8014,1.491;-.2806,-4.1985,.3803;3.4823,-1.7883,-.4284;-1.1735,-1.5908,-.3615;-3.6446,1.9212,-1.0956;-3.9423,.4217,-2.009;-3.5733,-1.8797,-.5259;-3.0464,-1.5457,1.1425;-6.0921,1.4063,-1.317;-5.5373,1.5442,.3816;-5.1773,-.513,1.7197;-5.4867,-2.1129,.9745;.3671,3.0464,.382; 0.000000 4.979941 0.000000 7.682285 2.882810 0.000000 8.378084 4.178721 2.248680 0.000000 5.514225 4.139653 4.753643 4.115077 0.000000 2.754991 6.427367 8.626952 8.708533 4.913020 0.000000 4.942307 9.250878 11.472510 11.443643 7.504080 2.852675 0.000000 6.472365 5.624276 5.952965 4.923671 1.488149 5.242953 7.476125 0.000000 7.622072 6.366117 6.130055 5.031468 2.519337 6.392832 8.516390 1.501297 0.000000 6.686373 6.471984 6.860865 6.069265 2.539612 5.125015 7.086894 1.504873 1.514475 0.000000 4.134329 3.683277 5.127095 4.977222 1.380339 3.760937 6.506239 2.523103 3.675844 3.191281 0.000000 6.264756 3.602824 3.538919 2.774576 1.358068 6.104567 8.783758 2.436937 2.971705 3.550159 2.360740 0.000000 3.649569 2.380408 4.388540 4.774556 2.397843 4.264074 7.113606 3.796641 4.812086 4.507111 1.418656 2.705355 0.000000 3.634240 4.834118 6.525649 6.344256 2.441677 2.472198 5.122698 2.940919 4.172648 3.195256 1.412857 3.667971 2.454174 0.000000 2.381715 5.061445 7.221895 7.351656 3.718429 1.410023 4.258683 4.337324 5.533695 4.468504 2.450672 4.810306 2.855394 1.396544 0.000000 2.909982 7.093139 9.491524 9.561530 5.966694 1.471807 2.487793 6.324900 7.597513 6.384546 4.790901 7.097710 5.116937 3.591565 2.468911 0.000000 4.152648 7.437166 9.339823 9.219239 5.175703 1.464062 2.489428 5.109555 6.079777 4.649007 4.297852 6.485566 5.138070 2.908896 2.461487 2.478254 0.000000 6.073958 2.397223 2.364043 2.362702 2.447191 6.519627 9.325066 3.759733 4.283469 4.781059 2.857639 1.378940 2.451314 4.269445 5.130041 7.420614 7.145259 0.000000 4.835540 1.247199 2.949918 3.653289 2.894099 5.749056 8.598717 4.377586 5.148000 5.256866 2.565113 2.430427 1.487554 3.844730 4.341508 6.551282 6.605186 1.444303 0.000000 3.799399 8.420364 10.866427 11.017904 7.322394 2.466649 1.526394 7.579882 8.752987 7.423659 6.155612 8.495576 6.485065 4.890978 3.744823 1.533090 2.934325 8.832351 7.929275 0.000000 4.823660 8.711134 10.727785 10.715536 6.681435 2.455100 1.525583 6.583468 7.451787 5.971317 5.770779 7.980960 6.497186 4.403017 3.734202 2.926485 1.534370 8.595288 7.969903 2.515896 0.000000 2.355008 2.794560 5.367181 6.044395 3.669607 3.713201 6.492014 4.941291 6.021069 5.470346 2.418817 4.109757 1.404894 2.786152 2.443212 4.365266 4.870942 3.741895 2.482376 5.639921 6.039504 0.000000 1.361083 4.161376 6.668878 7.171808 4.153311 2.445219 5.152929 5.140561 6.299511 5.442031 2.773415 4.937913 2.412376 2.396740 1.417704 3.070808 3.728441 4.863604 3.750979 4.285856 4.779419 1.366880 0.000000 7.458079 3.046487 1.233241 1.267049 3.791112 8.052009 10.860040 4.891427 5.109078 5.918635 4.383170 2.486228 3.916763 5.794674 6.658522 8.931549 8.666818 1.534984 2.632802 10.350620 10.116227 5.103354 6.312897 0.000000 5.672208 10.154392 12.412028 12.436354 8.483951 3.797337 1.026108 8.433704 9.417567 7.959471 7.481540 9.765499 8.057299 6.103458 5.206911 3.383991 3.384894 10.294752 9.539462 2.108659 2.106971 7.376393 6.021040 11.829105 0.000000 5.473941 9.519879 11.651498 11.432674 7.491444 3.191100 1.028161 7.330453 8.414153 7.018468 6.599494 8.791587 7.322119 5.203006 4.517171 2.711372 2.706659 9.424652 8.798032 2.107516 2.104347 6.824340 5.535685 10.951301 1.651551 0.000000 6.801148 6.140913 6.527290 5.258802 2.170498 5.418978 7.474843 1.086521 2.253884 2.263662 3.051445 3.020051 4.311707 3.277673 4.622914 6.313236 5.273441 4.309598 4.918739 7.598630 6.747391 5.387207 5.503519 5.393037 8.449345 7.186822 0.000000 8.584952 7.305414 6.856853 5.489453 3.435117 7.189018 9.127784 2.217747 1.082229 2.219675 4.634323 3.781509 5.799435 5.045235 6.420143 8.336688 6.757807 5.115051 6.088447 9.468374 8.090930 7.019962 7.264029 5.781331 10.014244 8.931820 2.547814 0.000000 7.744295 5.948172 5.407890 4.490229 2.647106 6.841351 9.129097 2.213345 1.081603 2.249459 3.811272 2.701326 4.707412 4.558286 5.858939 8.100279 6.651124 3.838691 4.799172 9.269761 8.012110 5.969446 6.426272 4.485929 10.023314 9.122732 3.105163 1.830855 0.000000 6.112621 6.138856 6.729332 6.295736 2.679987 4.705223 6.757534 2.217375 2.242628 1.080765 2.984570 3.697785 4.167011 2.935245 4.041417 6.081341 4.277843 4.728671 4.995212 7.043715 5.532692 4.995026 4.928981 5.933851 7.593658 6.844780 3.119127 3.111840 2.559157 0.000000 7.195119 7.457043 7.910978 7.002199 3.461207 5.268908 6.839137 2.224484 2.221635 1.082598 4.004363 4.527115 5.383927 3.696490 4.875299 6.459404 4.529719 5.793743 6.239932 7.377188 5.735762 6.238502 6.022993 6.933007 7.666179 6.670484 2.565752 2.482507 3.119074 1.831366 0.000000 7.314552 4.508570 3.801931 2.463112 2.050828 6.959901 9.536352 2.510300 2.628587 3.633491 3.302571 1.081803 3.785259 4.489391 5.731400 7.968934 7.192064 2.128719 3.414790 9.356509 8.692562 5.188774 5.974980 2.640466 10.517788 9.478040 2.996513 3.208767 2.306085 3.993901 4.541147 0.000000 4.506016 5.791274 7.219174 6.770152 2.689987 2.699747 4.921358 2.595251 3.791987 2.615821 2.161335 4.037580 3.427381 1.075661 2.131809 3.819726 2.596617 4.902451 4.719803 4.996288 4.121098 3.861499 3.374375 6.377306 5.895608 4.859633 2.792814 4.526271 4.396023 2.568096 2.854432 4.660468 0.000000 2.203857 6.589886 9.164637 9.411772 6.125510 2.096847 3.406656 6.712889 8.024476 6.922744 4.852489 7.118077 4.874262 3.876036 2.618875 1.086366 3.393455 7.241284 6.219818 2.115047 3.864159 3.908289 2.681915 8.707384 4.187744 3.709399 6.738283 8.826923 8.428108 6.575481 7.137624 8.062155 4.356514 0.000000 3.740409 7.414212 9.692532 9.528834 5.969531 2.143948 2.807323 6.187120 7.534722 6.379700 4.933946 7.112020 5.399161 3.745247 2.933602 1.105030 2.829831 7.536465 6.795742 2.177485 3.410998 4.835226 3.682568 9.027766 3.729917 2.606108 5.987228 8.171730 8.144772 6.262388 6.361066 7.906136 3.798742 1.780792 0.000000 4.891433 7.806796 9.554376 9.174082 5.112108 2.159636 2.800203 4.805126 5.827438 4.428042 4.430298 6.457789 5.449759 3.047683 2.954551 2.850954 1.105724 7.262925 6.881432 3.421152 2.167449 5.371071 4.328940 8.763996 3.717433 2.591754 4.765628 6.367694 6.547516 4.316069 4.128002 7.056864 2.422708 3.843965 2.762580 0.000000 4.426635 7.195708 8.894580 8.815637 4.761295 2.086804 3.411540 4.655196 5.426749 3.961757 3.997855 6.053389 4.907804 2.746683 2.604372 3.393896 1.089412 6.755881 6.311174 3.875031 2.119737 4.805769 3.832616 8.241550 4.191746 3.707584 5.013406 6.148790 5.919228 3.432848 3.907455 6.719375 2.402450 4.169686 3.821668 1.781283 0.000000 4.433555 9.078449 11.595924 11.716539 8.127607 3.414774 2.132008 8.387537 9.624985 8.329005 6.965279 9.272868 7.238063 5.735993 4.601324 2.176720 3.907560 9.576640 8.646407 1.088857 3.444228 6.345856 5.033840 11.077880 2.423991 2.414530 8.306498 10.304432 10.177470 8.018600 8.250387 10.132333 5.838507 2.510815 2.463712 4.215198 4.903070 0.000000 3.530942 8.370919 10.884043 11.242325 7.614918 2.751549 2.118729 7.987235 9.084141 7.747958 6.379193 8.739612 6.564030 5.191769 3.932015 2.175744 3.306060 8.972795 7.976134 1.089361 2.725319 5.591727 4.242551 10.473920 2.412951 2.972592 8.139930 9.872345 9.498409 7.226913 7.785427 9.649630 5.424347 2.430317 3.085256 4.050211 4.041241 1.792188 0.000000 4.598492 8.655217 10.743377 10.946250 7.005815 2.737953 2.119354 7.059065 7.853457 6.388011 6.009986 8.243407 6.571706 4.737708 3.918162 3.293493 2.179257 8.738691 8.011797 2.725149 1.089088 5.985090 4.730185 10.241451 2.414269 2.971225 7.359901 8.576686 8.290299 5.783667 6.273318 9.012678 4.639284 4.024934 4.037504 3.079470 2.437254 3.707040 2.480428 0.000000 5.879160 9.532387 11.379018 11.236985 7.139180 3.402487 2.129894 6.826332 7.558535 6.050092 6.388539 8.470077 7.259040 5.028251 4.589048 3.902188 2.174487 9.208743 8.711912 3.443526 1.088900 6.940483 5.736432 10.709600 2.418867 2.409807 6.960935 8.089943 8.184079 5.681830 5.639780 9.083866 4.545463 4.894089 4.208328 2.442684 2.511043 4.242878 3.705229 1.791839 0.000000 2.598470 2.440354 5.258281 6.267179 4.534594 4.576676 7.245290 5.892348 6.910596 6.462648 3.395523 4.733791 2.141320 3.867393 3.421882 5.061336 5.816509 4.067794 2.645979 6.248425 6.876805 1.081244 2.131810 5.225637 8.077543 7.636191 6.347821 7.919344 6.752351 5.956755 7.273841 5.808280 4.942697 4.420795 5.583627 6.373203 5.772145 6.877326 6.092498 6.723010 7.825391 0.000000 C17H18FN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.089,-2.7369,-.4082;2.8888,-2.6828,-.2737;5.4861,-1.4699,-.5793;5.6321,.2643,.8448;1.6731,1.2353,.2812;-3.0239,-.1773,-.0022;-5.7922,.4765,.2142;1.3489,2.6695,.5102;2.0963,3.6332,-.3654;.6244,3.371,-.6068;.7097,.262,.1084;2.9822,.874,.2928;1.1438,-1.0752,-.0814;-.6702,.5572,.1783;-1.6375,-.4345,.0014;-3.8586,-.8894,.9788;-3.4664,1.1799,-.3273;3.4916,-.3911,.0891;2.5729,-1.4866,-.1156;-5.3138,-.9446,.4995;-4.9137,1.1498,-.8358;.1629,-2.0678,-.2436;-1.1671,-1.7532,-.2209;5.0199,-.5337,.0741;-6.7662,.4582,-.1082;-5.7726,1.0283,1.0815;1.146,2.9166,1.5486;2.352,4.5953,.059;2.8249,3.2146,-1.0465;.3383,2.7735,-1.4607;-.0603,4.166,-.34;3.6624,1.6957,.4732;-.9951,1.5644,.371;-3.5205,-1.9191,1.0544;-3.8039,-.4241,1.9795;-3.3918,1.8855,.5208;-2.8574,1.5595,-1.1469;-5.9621,-1.3719,1.263;-5.3969,-1.5019,-.4328;-4.9982,.5624,-1.749;-5.2907,2.1595,-.9911;.4857,-3.087,-.4048; 0.4680728 0.1284536 0.1040889 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2222,2.7595,.3633;2.761,2.623,.2114;5.3607,1.2421,.711;5.459,-.5501,-.6435;1.5004,-1.2792,-.2412;-3.1761,.1956,-.0031;-5.9395,-.4559,-.2425;1.1266,-2.683,-.4407;1.8559,-3.7001,.3999;.4155,-3.3711,.6986;.5451,-.2806,-.0966;2.8219,-.9398,-.2873;.9927,1.0513,.063;-.8364,-.5607,-.1665;-1.7907,.4443,-.0138;-4.001,.8973,-.9894;-3.6194,-1.1641,.2771;3.3389,.3191,-.114;2.4298,1.4281,.0832;-5.4524,.9537,-.5226;-5.0614,-1.1485,.7819;.0237,2.0635,.2059;-1.3106,1.7626,.1879;4.8753,.4533,-.1289;-6.9142,-.4435,.0724;-5.9433,-.9972,-1.1138;.8661,-2.9396,-1.4624;2.0632,-4.6601,-.0593;2.6221,-3.3447,1.0782;.1905,-2.7834,1.5805;-.3295,-4.1159,.4411;3.5006,-1.7612,-.4731;-1.1644,-1.574,-.3473;-3.6538,1.9245,-1.0862;-3.9381,.4362,-1.9885;-3.537,-1.8476,-.585;-3.0026,-1.5825,1.0749;-6.1085,1.3853,-1.2775;-5.5509,1.5074,.4105;-5.1583,-.5828,1.7077;-5.4534,-2.1549,.9239;.3611,3.0832,.3491; 0.000000 4.987319 0.000000 7.740973 2.985756 0.000000 8.424221 4.251894 2.248659 0.000000 5.525817 4.125686 4.708053 4.045245 0.000000 2.760071 6.417666 8.630216 8.690804 4.909269 0.000000 4.952275 9.240373 11.466781 11.405970 7.485348 2.849324 0.000000 6.440667 5.590222 5.887372 4.833291 1.466368 5.195236 7.411418 0.000000 7.639297 6.390298 6.066760 4.898316 2.529428 6.376473 8.467967 1.507633 0.000000 6.682411 6.455057 6.762900 5.932636 2.536956 5.110086 7.054824 1.508938 1.507375 0.000000 4.136674 3.665481 5.114722 4.951536 1.389484 3.752694 6.488679 2.495618 3.695601 3.193787 0.000000 6.288982 3.598068 3.493274 2.689422 1.365181 6.111087 8.774909 2.436506 3.004089 3.560050 2.377942 0.000000 3.652843 2.370459 4.419938 4.797063 2.404554 4.256141 7.100731 3.770572 4.840943 4.505008 1.414157 2.726457 0.000000 3.636602 4.818679 6.513357 6.313459 2.445927 2.464254 5.104769 2.903944 4.174364 3.195955 1.411373 3.679893 2.448816 0.000000 2.385069 5.051226 7.232130 7.344617 3.722055 1.407547 4.251547 4.298041 5.535806 4.464571 2.447144 4.823567 2.849802 1.394285 0.000000 2.908925 7.081226 9.521061 9.576309 5.963415 1.464836 2.479350 6.277891 7.574284 6.369791 4.780352 7.100687 5.105641 3.580156 2.458132 0.000000 4.165913 7.419920 9.306945 9.145549 5.147211 1.457361 2.480883 5.034485 6.035294 4.618281 4.273555 6.469837 5.121018 2.881967 2.452713 2.449353 0.000000 6.091727 2.397473 2.370707 2.351721 2.439451 6.517063 9.311634 3.743528 4.314762 4.777462 2.857462 1.371924 2.464220 4.267312 5.132103 7.414476 7.125329 0.000000 4.846878 1.246541 3.003099 3.690137 2.880752 5.740410 8.584973 4.344477 5.169914 5.241056 2.550314 2.428592 1.485872 3.832210 4.334739 6.541199 6.584066 1.447486 0.000000 3.805287 8.413340 10.887001 11.015163 7.307953 2.454858 1.517521 7.517650 8.713212 7.391039 6.138007 8.491434 6.472313 4.871072 3.731795 1.525636 2.912871 8.823614 7.919661 0.000000 4.848616 8.702811 10.692966 10.633376 6.642373 2.444859 1.516632 6.491574 7.382814 5.911313 5.740929 7.958229 6.481331 4.369844 3.723936 2.906444 1.527933 8.574473 7.952704 2.504785 0.000000 2.356496 2.793905 5.423391 6.090557 3.681615 3.710905 6.489081 4.915674 6.050887 5.470908 2.420368 4.134386 1.408466 2.786492 2.441672 4.357344 4.867660 3.759784 2.491653 5.634660 6.042042 0.000000 1.362239 4.161496 6.711896 7.201838 4.163935 2.443790 5.151179 5.108668 6.317629 5.440138 2.774759 4.960459 2.413765 2.397511 1.417414 3.061566 3.728859 4.877733 3.756759 4.279478 4.784992 1.367835 0.000000 7.478987 3.048592 1.250326 1.269742 3.795287 8.056456 10.853585 4.897633 5.162042 5.932988 4.392039 2.486414 3.933123 5.801135 6.666999 8.928946 8.656796 1.542323 2.641144 10.347288 10.106102 5.122810 6.330837 0.000000 5.688491 10.150406 12.406468 12.394299 8.461764 3.793098 1.024285 8.362528 9.360922 7.917515 7.462982 9.755337 8.046880 6.083567 5.200532 3.378129 3.378896 10.283067 9.529584 2.107852 2.105512 7.378085 6.023347 11.825231 0.000000 5.490157 9.519786 11.667232 11.420751 7.499977 3.211561 1.025755 7.299196 8.391961 7.025294 6.606665 8.804277 7.327266 5.212332 4.531253 2.716127 2.713528 9.428230 8.799095 2.096777 2.096285 6.834771 5.547380 10.959757 1.629743 0.000000 6.734331 6.110212 6.512424 5.241651 2.156481 5.319609 7.346697 1.085150 2.241935 2.249214 3.006434 3.033974 4.274393 3.199590 4.539639 6.215678 5.128131 4.307187 4.889873 7.480942 6.586403 5.340772 5.438047 5.418805 8.313772 7.089636 0.000000 8.578724 7.321495 6.804697 5.363350 3.432252 7.143581 9.041703 2.220710 1.084261 2.225046 4.635307 3.803746 5.812224 5.022416 6.396097 8.277952 6.680300 5.140356 6.100943 9.392197 7.987434 7.031133 7.259122 5.836089 9.919165 8.867516 2.522229 0.000000 7.825589 6.031923 5.354798 4.338456 2.695407 6.879052 9.131856 2.231877 1.083179 2.239152 3.883630 2.772737 4.796974 4.610990 5.917934 8.132337 6.659756 3.919012 4.879226 9.286337 7.996710 6.063088 6.507148 4.578059 10.018422 9.147770 3.114786 1.826650 0.000000 6.166603 6.140937 6.609984 6.139306 2.701302 4.766120 6.805718 2.229639 2.237744 1.083388 3.033561 3.716446 4.201396 3.007821 4.109163 6.141722 4.340030 4.733867 4.999363 7.087405 5.558166 5.040798 4.985865 5.945216 7.630582 6.933491 3.120866 3.117357 2.545589 0.000000 7.131667 7.417339 7.820467 6.884637 3.443973 5.185523 6.733192 2.225030 2.224994 1.084472 3.970371 4.533171 5.347132 3.642261 4.810222 6.376460 4.423053 5.782279 6.203095 7.271469 5.595817 6.193961 5.965234 6.949273 7.548565 6.607530 2.537017 2.504268 3.116475 1.828692 0.000000 7.340776 4.498557 3.725897 2.308947 2.070482 6.973350 9.532737 2.546930 2.688199 3.671839 3.326967 1.081594 3.806266 4.510537 5.750934 7.975465 7.184225 2.117267 3.409961 9.355687 8.675162 5.213289 6.000123 2.629132 10.511944 9.496392 3.050841 3.262078 2.384485 4.027282 4.588029 0.000000 4.516977 5.773661 7.185192 6.708618 2.683149 2.701200 4.905391 2.547024 3.768435 2.611451 2.158266 4.036884 3.422487 1.080289 2.139391 3.816513 2.566046 4.890588 4.702785 4.980613 4.079547 3.866322 3.382381 6.374599 5.874831 4.874229 2.689153 4.474895 4.416452 2.648545 2.789324 4.670455 0.000000 2.201792 6.581823 9.217113 9.453117 6.127219 2.095287 3.406282 6.670620 8.012519 6.912830 4.844815 7.125754 4.865389 3.867709 2.609943 1.088529 3.376256 7.240130 6.214791 2.120122 3.861884 3.900298 2.672105 8.707793 4.192803 3.711980 6.650568 8.780350 8.475541 6.637280 7.061857 8.071228 4.356803 0.000000 3.724694 7.382322 9.716131 9.543918 5.964278 2.140214 2.801875 6.146222 7.508926 6.377289 4.918555 7.105251 5.375774 3.732817 2.917346 1.102206 2.792100 7.515421 6.769461 2.170195 3.383576 4.812364 3.660607 9.007437 3.725361 2.615503 5.895192 8.106135 8.169190 6.336314 6.296599 7.903079 3.798378 1.763491 0.000000 4.884094 7.764356 9.507616 9.089268 5.080997 2.154942 2.797588 4.739980 5.786636 4.426153 4.399757 6.430265 5.416797 3.020700 2.937530 2.813136 1.103301 7.224573 6.839582 3.394141 2.163627 5.347964 4.311434 8.733211 3.716054 2.606386 4.620556 6.288741 6.552995 4.411264 4.060328 7.039001 2.400119 3.807035 2.710479 0.000000 4.468599 7.186777 8.834839 8.695788 4.701147 2.086544 3.410343 4.534084 5.342726 3.876094 3.956441 6.016075 4.891080 2.697645 2.600337 3.377511 1.091748 6.726341 6.289509 3.871165 2.124383 4.817260 3.852164 8.225212 4.195582 3.712270 4.821458 6.034923 5.894262 3.448703 3.737063 6.687261 2.324110 4.170466 3.786141 1.763902 0.000000 4.436743 9.078352 11.641159 11.745404 8.128277 3.411579 2.118935 8.342527 9.597232 8.312098 6.959933 9.281096 7.234290 5.728543 4.596299 2.182378 3.887453 9.578305 8.646175 1.089323 3.428954 6.345406 5.030939 11.082964 2.411581 2.393791 8.208795 10.237547 10.205171 8.076124 8.161760 10.143088 5.836657 2.520539 2.473265 4.188562 4.897791 0.000000 3.556779 8.388789 10.918955 11.250010 7.609959 2.744461 2.105268 7.929285 9.054270 7.712433 6.373094 8.751025 6.568663 5.180417 3.930594 2.175837 3.299405 8.984232 7.987859 1.089536 2.726071 5.605996 4.253882 10.493264 2.403930 2.958137 8.028861 9.809911 9.528250 7.262536 7.673785 9.664112 5.413948 2.452183 3.082887 4.037779 4.059940 1.781935 0.000000 4.647517 8.673554 10.722501 10.874547 6.972894 2.731657 2.104672 6.966038 7.786307 6.313484 5.989641 8.233529 6.573397 4.710792 3.919069 3.287013 2.180090 8.736946 8.016373 2.724299 1.089219 6.009216 4.755603 10.252771 2.403504 2.957830 7.203984 8.479176 8.280017 5.785184 6.115934 9.006710 4.599597 4.044213 4.023607 3.079775 2.459033 3.699719 2.491190 0.000000 5.908194 9.529497 11.337043 11.140557 7.104873 3.401532 2.117418 6.740662 7.489180 5.997805 6.366829 8.451259 7.250686 5.004685 4.588085 3.884128 2.182568 9.192500 8.699977 3.428717 1.089363 6.950405 5.749053 10.704788 2.405826 2.394304 6.800461 7.983822 8.164100 5.716580 5.507546 9.070846 4.510947 4.890839 4.182409 2.458438 2.521295 4.220023 3.699446 1.781245 0.000000 2.603490 2.447477 5.340050 6.338331 4.547214 4.579689 7.250730 5.870188 6.946207 6.463979 3.398188 4.758697 2.146892 3.870081 3.424231 5.059358 5.821415 4.089259 2.662642 6.252272 6.891858 1.083593 2.136414 5.246239 8.089703 7.650811 6.309567 7.938703 6.852855 5.996887 7.232762 5.831023 4.949858 4.418328 5.563589 6.354582 5.797348 6.883637 6.118722 6.763786 7.847036 0.000000 C17H18FN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.1103,-2.7542,-.4178;2.8726,-2.7122,-.2137;5.5023,-1.373,-.6676;5.6196,.3982,.7128;1.6794,1.2061,.2809;-3.0206,-.1784,-.0251;-5.774,.5209,.1955;1.3294,2.6137,.4962;2.086,3.6286,-.3227;.643,3.3305,-.6404;.7075,.2275,.1126;2.9939,.8417,.3355;1.1321,-1.1102,-.0611;-.6693,.5321,.1725;-1.6403,-.4529,-.0039;-3.8685,-.8783,.9429;-3.4359,1.1931,-.2907;3.4894,-.4241,.1498;2.5622,-1.5132,-.072;-5.3158,-.9013,.4608;-4.8727,1.2112,-.8102;.1462,-2.1021,-.228;-1.1824,-1.7769,-.2192;5.0229,-.5869,.1783;-6.7454,.5309,-.1293;-5.7768,1.05,1.0743;1.0632,2.8609,1.5187;2.3061,4.5782,.1521;2.8525,3.2685,-.9981;.4163,2.7594,-1.5327;-.0908,4.0854,-.3801;3.6856,1.6477,.5397;-.9805,1.5487,.3641;-3.5412,-1.9129,1.0288;-3.8074,-.4322,1.949;-3.3499,1.863,.5818;-2.8033,1.6109,-1.0762;-5.9875,-1.331,1.2029;-5.4148,-1.4401,-.4809;-4.9704,.6602,-1.7447;-5.2446,2.2265,-.942;.4662,-3.1259,-.382; 0.4702578 0.1288948 0.1043223 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2223,2.7816,.3831;2.7352,2.625,.2112;5.4679,1.3194,.5457;5.4951,-.4762,-.8356;1.5004,-1.2793,-.1929;-3.1674,.2031,.0239;-5.9201,-.4771,-.2753;1.0863,-2.659,-.3803;1.7914,-3.7383,.404;.379,-3.3579,.7551;.5457,-.265,-.0581;2.8322,-.9489,-.2635;.9883,1.0655,.0919;-.8337,-.5453,-.1218;-1.7847,.4634,.0185;-3.9867,.8969,-.9693;-3.6038,-1.1649,.2618;3.3534,.3019,-.1016;2.4277,1.4252,.1006;-5.4423,.9274,-.534;-5.0515,-1.1802,.7337;.0254,2.0846,.2297;-1.3139,1.7838,.212;4.898,.3981,-.1405;-6.8941,-.4722,.0346;-5.9078,-1.0011,-1.1549;.7861,-2.8488,-1.407;1.9548,-4.6825,-.108;2.582,-3.4465,1.0881;.2124,-2.795,1.6691;-.4171,-4.0474,.4867;3.5183,-1.7635,-.4581;-1.1552,-1.5658,-.2982;-3.6448,1.9281,-1.0608;-3.9018,.4255,-1.9592;-3.5008,-1.8053,-.6278;-2.9906,-1.6012,1.0549;-6.0908,1.3532,-1.3003;-5.5626,1.4681,.4053;-5.17,-.6325,1.669;-5.4359,-2.195,.8405;.3647,3.1072,.366; 0.000000 4.962964 0.000000 7.829689 3.046997 0.000000 8.465034 4.281388 2.265636 0.000000 5.539062 4.114785 4.799993 4.124978 0.000000 2.769637 6.382929 8.722832 8.731526 4.902378 0.000000 4.972569 9.207273 11.558034 11.428902 7.464168 2.851194 0.000000 6.413269 5.566857 5.990366 4.940610 1.452703 5.142890 7.338972 0.000000 7.656348 6.435807 6.254388 5.088708 2.547100 6.345825 8.400219 1.509031 0.000000 6.678288 6.453184 6.915134 6.083523 2.545028 5.078691 7.002788 1.509266 1.504288 0.000000 4.139793 3.635762 5.206135 5.014596 1.399487 3.743360 6.472834 2.475392 3.718799 3.202442 0.000000 6.315278 3.606592 3.570313 2.764371 1.373968 6.115988 8.764981 2.446723 3.051148 3.585989 2.395469 0.000000 3.652069 2.344859 4.509765 4.852702 2.416849 4.244744 7.087962 3.755570 4.880410 4.514143 1.410118 2.753916 0.000000 3.640311 4.785341 6.605595 6.369317 2.447836 2.455127 5.089114 2.867192 4.166859 3.185966 1.409018 3.690789 2.441305 0.000000 2.387149 5.013887 7.321959 7.389688 3.724720 1.407044 4.251161 4.260411 5.530965 4.452759 2.442711 4.836294 2.838477 1.393430 0.000000 2.914504 7.040179 9.584565 9.581632 5.953740 1.462541 2.471340 6.223067 7.533767 6.335350 4.766798 7.099476 5.089673 3.569258 2.452047 0.000000 4.183096 7.385770 9.410079 9.190713 5.125750 1.455508 2.475139 4.964067 5.979265 4.573399 4.257985 6.461058 5.107891 2.864355 2.453558 2.431683 0.000000 6.121428 2.424202 2.434282 2.394008 2.437596 6.522747 9.307716 3.739582 4.361018 4.793263 2.864705 1.364667 2.492834 4.271999 5.141984 7.415087 7.119429 0.000000 4.852000 1.243497 3.074471 3.728408 2.874073 5.727537 8.570019 4.325710 5.211409 5.244453 2.534571 2.435704 1.483744 3.816999 4.321554 6.524437 6.566125 1.469565 0.000000 3.827210 8.385024 10.970517 11.031191 7.292935 2.451708 1.505985 7.450382 8.658823 7.342586 6.124012 8.488861 6.462398 4.855695 3.728085 1.519569 2.896703 8.828455 7.911193 0.000000 4.880917 8.682501 10.813985 10.685938 6.617870 2.442773 1.505554 6.410962 7.312897 5.850951 5.726498 7.949899 6.475608 4.350251 3.726286 2.889345 1.522724 8.575332 7.945276 2.490352 0.000000 2.358250 2.763292 5.505180 6.132736 3.697271 3.711602 6.493481 4.898908 6.087298 5.479262 2.423608 4.162150 1.408811 2.788922 2.439042 4.352546 4.871456 3.789891 2.494511 5.640678 6.057008 0.000000 1.360185 4.135602 6.805921 7.250359 4.179323 2.443215 5.154193 5.084316 6.338248 5.440447 2.779988 4.988379 2.414623 2.401439 1.415060 3.053808 3.733746 4.906918 3.760398 4.281733 4.798638 1.372752 0.000000 7.526874 3.124158 1.282385 1.266555 3.789453 8.069459 10.854251 4.892123 5.201654 5.944040 4.403349 2.469227 3.973099 5.808886 6.684889 8.937203 8.653681 1.548118 2.686177 10.361293 10.111784 5.169509 6.374346 0.000000 5.703995 10.116778 12.501709 12.419773 8.436345 3.787454 1.022199 8.285009 9.286699 7.857810 7.443267 9.742593 8.031201 6.062893 5.194473 3.366851 3.370089 10.277627 9.513234 2.095325 2.094099 7.379371 6.021649 11.825533 0.000000 5.500702 9.471915 11.733919 11.419455 7.475623 3.217088 1.023948 7.229531 8.318700 6.980471 6.587271 8.785524 7.306240 5.198221 4.530130 2.706954 2.709644 9.411535 8.771788 2.078807 2.081388 6.829428 5.543283 10.943158 1.633226 0.000000 6.629946 6.031605 6.565596 5.303830 2.108974 5.195364 7.202614 1.086384 2.254243 2.258219 2.924622 3.017275 4.196304 3.095349 4.428485 6.082842 4.989148 4.268731 4.820284 7.335800 6.437705 5.253130 5.337766 5.390224 8.167724 6.948777 0.000000 8.567559 7.356018 6.985174 5.545802 3.434504 7.079874 8.929020 2.218808 1.086465 2.232190 4.637142 3.838486 5.832106 4.989229 6.362451 8.195952 6.588587 5.176919 6.129580 9.293559 7.878057 7.044894 7.252607 5.871647 9.800577 8.744726 2.532980 0.000000 7.897346 6.136432 5.597927 4.583580 2.740004 6.892641 9.108321 2.239093 1.085434 2.229811 3.947501 2.850856 4.887756 4.641967 5.958164 8.139174 6.644817 4.007600 4.973192 9.281808 7.970746 6.153563 6.580419 4.653419 9.987696 9.115291 3.131791 1.830766 0.000000 6.219315 6.153610 6.768435 6.289507 2.724627 4.808146 6.838103 2.232133 2.232467 1.086358 3.081463 3.742554 4.241757 3.059831 4.162927 6.182501 4.381915 4.753122 5.017777 7.119342 5.584878 5.090891 5.041618 5.951980 7.653052 6.974933 3.129626 3.123663 2.525371 0.000000 7.064348 7.384697 7.964884 7.032451 3.435261 5.083861 6.603822 2.222449 2.231542 1.086764 3.940851 4.552051 5.317128 3.578846 4.736779 6.269631 4.302913 5.786065 6.179899 7.144471 5.455279 6.153275 5.906136 6.957428 7.412070 6.490240 2.543656 2.526449 3.117246 1.833796 0.000000 7.370258 4.507806 3.783262 2.388958 2.092094 6.985665 9.527418 2.592869 2.761406 3.724215 3.352990 1.082712 3.834958 4.531827 5.771343 7.979010 7.183467 2.102439 3.416099 9.356253 8.671979 5.242297 6.031836 2.583979 10.503819 9.482577 3.089260 3.329849 2.469829 4.064350 4.647183 0.000000 4.527989 5.740889 7.273439 6.760382 2.673136 2.698470 4.887670 2.495252 3.727694 2.583646 2.154698 4.035020 3.416149 1.084315 2.148061 3.812130 2.543623 4.884091 4.684280 4.964916 4.049017 3.872658 3.391907 6.365798 5.851649 4.862090 2.577620 4.407132 4.407498 2.692890 2.705438 4.680487 0.000000 2.199304 6.542820 9.273264 9.453525 6.124835 2.092795 3.402734 6.624763 7.987845 6.886966 4.834733 7.131918 4.851612 3.860262 2.601929 1.090191 3.364077 7.248376 6.202986 2.123570 3.854867 3.893566 2.659658 8.727390 4.185625 3.702704 6.524625 8.715707 8.501586 6.681100 6.965554 8.080934 4.357331 0.000000 3.722691 7.321096 9.739902 9.506697 5.933829 2.126416 2.779176 6.073581 7.438752 6.325152 4.885778 7.078942 5.341292 3.705646 2.897414 1.099694 2.747915 7.490234 6.730891 2.157794 3.339453 4.792304 3.640894 8.985826 3.706133 2.589655 5.744754 7.988708 8.143632 6.361043 6.175192 7.880583 3.777289 1.769413 0.000000 4.867932 7.695483 9.569769 9.095979 5.047642 2.137721 2.782255 4.672461 5.727942 4.401871 4.367087 6.401086 5.376940 2.992854 2.917228 2.766697 1.100992 7.190113 6.790784 3.353469 2.156175 5.319843 4.285982 8.696751 3.705443 2.591918 4.480354 6.189761 6.529881 4.476983 3.972267 7.021375 2.380756 3.761139 2.628692 0.000000 4.500122 7.166457 8.963058 8.766219 4.672235 2.085638 3.408032 4.449664 5.278103 3.811835 3.940732 6.005717 4.885666 2.674246 2.605991 3.366035 1.093371 6.723486 6.279165 3.863870 2.127866 4.833450 3.870419 8.225351 4.189672 3.708567 4.677631 5.941705 5.870287 3.472924 3.595768 6.684451 2.280492 4.166510 3.744704 1.770164 0.000000 4.454159 9.044367 11.705262 11.738637 8.110673 3.409168 2.104769 8.273749 9.537172 8.263063 6.942909 9.273332 7.220393 5.712294 4.590604 2.178308 3.868585 9.577809 8.633216 1.090441 3.411083 6.346886 5.029010 11.091034 2.399946 2.365911 8.059744 10.128381 10.196064 8.108938 8.034389 10.136997 5.821047 2.524005 2.467075 4.139616 4.887432 0.000000 3.589357 8.380334 11.032435 11.295709 7.602124 2.735421 2.091644 7.864991 9.010463 7.662633 6.366246 8.761394 6.570697 5.166650 3.928330 2.167809 3.284815 9.006194 7.996214 1.090532 2.717080 5.624605 4.264780 10.529345 2.382341 2.941194 7.888328 9.726550 9.537016 7.288433 7.543478 9.677423 5.396703 2.457415 3.071865 4.004197 4.056855 1.789251 0.000000 4.690279 8.673487 10.873726 10.956380 6.955556 2.723034 2.089716 6.888239 7.727105 6.249410 5.982211 8.238341 6.579849 4.692347 3.922468 3.271069 2.171782 8.755354 8.026152 2.713078 1.090334 6.037057 4.778155 10.281127 2.381102 2.941894 7.060361 8.385956 8.267440 5.800548 5.970776 9.016192 4.567224 4.041553 3.986444 3.071991 2.462839 3.688858 2.482630 0.000000 5.941615 9.507626 11.459963 11.191487 7.072371 3.400524 2.104867 6.651621 7.403114 5.930635 6.349086 8.434007 7.242925 4.982673 4.590641 3.864612 2.179983 9.185452 8.688424 3.411571 1.090381 6.965099 5.763333 10.699313 2.396647 2.372728 6.647638 7.855573 8.118755 5.740110 5.361440 9.058175 4.473971 4.880784 4.130247 2.460112 2.525424 4.195459 3.691026 1.788420 0.000000 2.607442 2.424017 5.410310 6.372250 4.565430 4.585444 7.263373 5.858897 6.992674 6.476849 3.403525 4.789211 2.152343 3.874938 3.424900 5.059932 5.831861 4.125572 2.674944 6.267556 6.917512 1.086025 2.143085 5.305321 8.100189 7.650854 6.228528 7.964463 6.956205 6.046232 7.198162 5.860733 4.958609 4.416120 5.549845 6.329514 5.822523 6.893923 6.149869 6.805579 7.873017 0.000000 C17H18FN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0966,-2.7839,-.4428;2.8614,-2.6856,-.2456;5.6099,-1.4044,-.5434;5.6503,.3648,.8713;1.6678,1.224,.2257;-3.015,-.2023,-.0397;-5.7614,.5028,.2597;1.268,2.6045,.4371;1.9886,3.6903,-.3238;.5738,3.3323,-.6883;.7025,.223,.0678;2.9955,.8776,.2962;1.1312,-1.1092,-.1051;-.6739,.5174,.1305;-1.6353,-.4779,-.0329;-3.8466,-.9053,.9367;-3.4352,1.1747,-.2539;3.5036,-.3757,.1133;2.5666,-1.4847,-.1141;-5.3003,-.9115,.4944;-4.8804,1.2149,-.732;.1578,-2.1148,-.2662;-1.1782,-1.7996,-.2489;5.0469,-.4897,.1573;-6.734,.5145,-.0545;-5.7475,1.0101,1.1491;.965,2.7784,1.4657;2.16,4.623,.2065;2.7792,3.4026,-1.0096;.4052,2.7883,-1.6134;-.2159,4.0254,-.4106;3.6896,1.6808,.5091;-.985,1.5379,.3245;-3.5165,-1.9417,1.0104;-3.7611,-.4534,1.9356;-3.3294,1.7973,.6479;-2.8135,1.6189,-1.036;-5.9571,-1.3443,1.2496;-5.4222,-1.4333,-.4555;-5.0005,.686,-1.6779;-5.2531,2.2357,-.8216;.4865,-3.1384,-.4201; 0.4665557 0.1285289 0.1039263 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2218,2.7743,.3664;2.7507,2.6235,.2178;5.4192,1.3375,.5271;5.4697,-.5006,-.7855;1.4923,-1.2846,-.1858;-3.1798,.2061,.0259;-5.9418,-.45,-.2796;1.0964,-2.6746,-.3692;1.8582,-3.7365,.3804;.4475,-3.3981,.7853;.54,-.2733,-.0617;2.8174,-.9496,-.2494;.9867,1.0591,.0802;-.8409,-.5555,-.1187;-1.7925,.4546,.0163;-3.9946,.9145,-.9662;-3.6257,-1.1648,.246;3.3396,.3061,-.097;2.4252,1.4294,.0839;-5.4511,.958,-.5273;-5.0736,-1.174,.7227;.0228,2.0753,.2139;-1.3142,1.7746,.2005;4.8792,.404,-.1257;-6.914,-.435,.0412;-5.9465,-.9683,-1.1651;.7603,-2.8917,-1.3801;2.0313,-4.673,-.1396;2.6671,-3.4202,1.0298;.2999,-2.8406,1.704;-.3394,-4.107,.5471;3.4968,-1.7727,-.4309;-1.1645,-1.5729,-.2855;-3.6485,1.9429,-1.0587;-3.9153,.4434,-1.9594;-3.5311,-1.7947,-.6548;-3.0197,-1.6216,1.0316;-6.0919,1.4017,-1.2894;-5.5653,1.4958,.4148;-5.1831,-.6404,1.6673;-5.4592,-2.1887,.8223;.3608,3.0971,.3432; 0.000000 4.977024 0.000000 7.776590 2.978304 0.000000 8.438632 4.261340 2.259210 0.000000 5.529382 4.125536 4.775465 4.098093 0.000000 2.762111 6.407130 8.687586 8.716131 4.908668 0.000000 4.965099 9.233340 11.529102 11.422865 7.481409 2.855326 0.000000 6.422004 5.581348 5.965552 4.901610 1.456858 5.171091 7.381985 0.000000 7.683542 6.424365 6.200667 4.987353 2.542862 6.407094 8.489837 1.506608 0.000000 6.737846 6.471924 6.870978 6.007092 2.549721 5.169518 7.116818 1.509052 1.506137 0.000000 4.135080 3.654720 5.171886 4.987714 1.394602 3.751572 6.487927 2.484008 3.731830 3.238802 0.000000 6.296009 3.604121 3.550168 2.742967 1.368278 6.113678 8.773501 2.439641 3.013892 3.561148 2.383046 0.000000 3.649461 2.361786 4.463672 4.824805 2.412311 4.253258 7.100136 3.762236 4.883342 4.544657 1.412440 2.737624 0.000000 3.637299 4.808259 6.571928 6.345984 2.445367 2.463988 5.104561 2.882083 4.201517 3.249171 1.410619 3.681765 2.446794 0.000000 2.384935 5.038426 7.283520 7.368504 3.722292 1.409368 4.257097 4.276242 5.570028 4.522361 2.444707 4.826310 2.844935 1.394310 0.000000 2.894426 7.058499 9.540956 9.571238 5.962488 1.466307 2.474853 6.257527 7.596097 6.434172 4.774103 7.098727 5.092130 3.581235 2.454857 0.000000 4.183506 7.416901 9.388880 9.177759 5.137537 1.458308 2.480295 4.995606 6.058435 4.676459 4.271114 6.465655 5.123224 2.873872 2.456750 2.434975 0.000000 6.102108 2.411680 2.403812 2.379511 2.439441 6.521279 9.313970 3.740416 4.331851 4.781541 2.859125 1.368465 2.476750 4.268428 5.135493 7.410566 7.127141 0.000000 4.845923 1.244825 3.028042 3.708069 2.882610 5.737220 8.583247 4.337583 5.205428 5.263840 2.544540 2.434098 1.485400 3.827381 4.329443 6.525516 6.585564 1.459723 0.000000 3.811351 8.402373 10.927995 11.020848 7.304590 2.455701 1.511459 7.489399 8.734332 7.449309 6.134082 8.490259 6.467268 4.869497 3.732912 1.521855 2.904562 8.825375 7.914097 0.000000 4.883536 8.711831 10.790991 10.671895 6.629346 2.444786 1.510913 6.443043 7.398180 5.952554 5.739266 7.953787 6.490543 4.359598 3.730530 2.894598 1.524395 8.581624 7.963552 2.500108 0.000000 2.355784 2.782505 5.455690 6.107651 3.689013 3.712890 6.495950 4.904598 6.097068 5.519527 2.420723 4.144266 1.407127 2.788938 2.441539 4.345069 4.879611 3.772057 2.491164 5.635729 6.065481 0.000000 1.360343 4.152646 6.755507 7.222883 4.169498 2.443593 5.157002 5.092301 6.361535 5.495678 2.775086 4.969286 2.412641 2.399098 1.416079 3.047265 3.739689 4.889062 3.757116 4.279131 4.806287 1.370415 0.000000 7.502313 3.094279 1.260669 1.265778 3.785038 8.062834 10.855797 4.883343 5.150388 5.909779 4.392214 2.469565 3.952580 5.800055 6.673423 8.928166 8.656359 1.543003 2.667892 10.353000 10.112782 5.147235 6.351650 0.000000 5.694054 10.138680 12.469446 12.411461 8.452169 3.788919 1.023869 8.327729 9.379058 7.970300 7.456499 9.749321 8.040874 6.076409 5.198257 3.370301 3.374570 10.281285 9.523613 2.098462 2.097100 7.379054 6.022114 11.824220 0.000000 5.497770 9.510749 11.720046 11.432052 7.509587 3.232985 1.025998 7.290192 8.424040 7.112732 6.616255 8.811562 7.330078 5.228002 4.547054 2.719195 2.723228 9.433753 8.797396 2.088688 2.090031 6.840822 5.553950 10.961699 1.635780 0.000000 6.636776 6.077180 6.574876 5.314993 2.131811 5.205531 7.217497 1.087140 2.240150 2.245664 2.939802 3.046544 4.218066 3.100443 4.434478 6.104768 4.986353 4.304024 4.856698 7.357316 6.434835 5.268442 5.345724 5.422190 8.182388 6.980486 0.000000 8.591105 7.340590 6.931758 5.445124 3.431299 7.140610 9.023547 2.218187 1.085082 2.233643 4.646197 3.807078 5.830622 5.020316 6.398273 8.259260 6.667661 5.148292 6.119256 9.372589 7.966545 7.049804 7.271884 5.821254 9.900109 8.855594 2.515406 0.000000 7.919115 6.098503 5.519260 4.435520 2.723672 6.952951 9.200572 2.231653 1.084511 2.233130 3.952004 2.786152 4.877374 4.672387 5.994054 8.194633 6.730540 3.950525 4.946891 9.354071 8.065839 6.152952 6.597298 4.566476 10.083973 9.220797 3.118107 1.827958 0.000000 6.298794 6.170212 6.711886 6.196810 2.722914 4.920007 6.972013 2.227176 2.232254 1.084753 3.125100 3.705344 4.279714 3.137692 4.252574 6.298702 4.510442 4.731276 5.037347 7.244455 5.710912 5.144287 5.115282 5.903012 7.784097 7.124209 3.118708 3.123207 2.528678 0.000000 7.136378 7.413277 7.924971 6.966213 3.443536 5.190570 6.741235 2.225507 2.234849 1.085615 3.980067 4.535296 5.353952 3.647949 4.816739 6.392655 4.421164 5.781450 6.205631 7.275851 5.571844 6.201897 5.971924 6.930790 7.547506 6.649982 2.529927 2.532234 3.121534 1.830545 0.000000 7.349365 4.505971 3.779799 2.374095 2.077614 6.978612 9.532092 2.565032 2.683260 3.663213 3.335721 1.082613 3.818443 4.516064 5.756532 7.976799 7.180377 2.111277 3.415715 9.355857 8.668403 5.224209 6.010668 2.596558 10.507043 9.505885 3.105066 3.262604 2.352912 3.989823 4.595891 0.000000 4.521129 5.761220 7.244045 6.738879 2.674211 2.706103 4.907540 2.516440 3.776414 2.660145 2.155040 4.030509 3.418852 1.080495 2.143831 3.828850 2.550775 4.883930 4.694294 4.983887 4.056670 3.868911 3.385917 6.360815 5.870140 4.899652 2.577310 4.454799 4.452364 2.776603 2.792072 4.667863 0.000000 2.181258 6.560754 9.225293 9.443913 6.132438 2.100584 3.404707 6.656662 8.040560 6.978804 4.842487 7.129476 4.854277 3.874090 2.610692 1.088988 3.370531 7.241415 6.201599 2.121756 3.862571 3.887873 2.657659 8.715582 4.186581 3.710324 6.550936 8.767866 8.544675 6.790018 7.080246 8.078110 4.373665 0.000000 3.702761 7.343637 9.701332 9.505125 5.947557 2.130379 2.779663 6.112907 7.501952 6.428378 4.895374 7.084715 5.344977 3.719929 2.899984 1.102091 2.744801 7.491385 6.734216 2.162085 3.339377 4.784851 3.633614 8.983733 3.710293 2.597931 5.772355 8.053028 8.196968 6.478638 6.306770 7.885863 3.799244 1.769417 0.000000 4.861340 7.729368 9.555956 9.094315 5.070939 2.142393 2.785771 4.719066 5.821239 4.524822 4.386373 6.417295 5.393972 3.009985 2.921009 2.766138 1.103235 7.206309 6.813115 3.358569 2.159156 5.325572 4.287924 8.709060 3.711768 2.603337 4.488450 6.284151 6.625546 4.618903 4.120455 7.031533 2.405507 3.761163 2.618892 0.000000 4.516931 7.209760 8.956919 8.753783 4.685475 2.092267 3.410415 4.473660 5.356398 3.903631 3.960399 6.013665 4.913516 2.684552 2.616712 3.372469 1.092267 6.740198 6.312996 3.872489 2.124652 4.857200 3.890208 8.236220 4.189817 3.717320 4.660315 6.016290 5.964461 3.599691 3.687283 6.680345 2.275733 4.179748 3.743308 1.770730 0.000000 4.427632 9.053036 11.653812 11.727930 8.121253 3.411782 2.114473 8.314771 9.612192 8.372979 6.949531 9.272871 7.218098 5.724930 4.592094 2.177289 3.876464 9.569547 8.627221 1.090138 3.423488 6.332721 5.018555 11.077729 2.412443 2.377682 8.086749 10.208400 10.264024 8.234879 8.173747 10.136979 5.842590 2.513227 2.470831 4.144585 4.895527 0.000000 3.579967 8.394485 10.986282 11.278216 7.609293 2.739622 2.100033 7.898461 9.082229 7.761543 6.374340 8.757334 6.575130 5.178107 3.934103 2.170776 3.296887 8.998612 7.997666 1.090766 2.732144 5.621647 4.265656 10.515359 2.384632 2.951777 7.904809 9.801548 9.608218 7.407230 7.662824 9.670618 5.410591 2.458704 3.076839 4.013639 4.071687 1.786218 0.000000 4.703442 8.700609 10.845400 10.932475 6.957752 2.724818 2.098258 6.907823 7.798858 6.331421 5.989902 8.232727 6.593544 4.695966 3.926992 3.281174 2.172735 8.754752 8.042298 2.728208 1.090417 6.048907 4.790920 10.274087 2.383790 2.951774 7.048410 8.460181 8.352222 5.908088 6.060815 9.001462 4.564253 4.057087 3.991902 3.074683 2.459096 3.706591 2.505685 0.000000 5.943062 9.535507 11.439507 11.174819 7.082168 3.400790 2.114312 6.680730 7.492381 6.029405 6.359331 8.437192 7.255978 4.988145 4.591442 3.869597 2.177709 9.191753 8.706353 3.423890 1.090031 6.971681 5.768529 10.700670 2.408732 2.382602 6.635370 7.950168 8.221740 5.862571 5.474315 9.052877 4.477861 4.887412 4.129106 2.460635 2.513311 4.213169 3.708471 1.785308 0.000000 2.602818 2.439600 5.358859 6.349614 4.556270 4.581958 7.259029 5.861858 6.995820 6.510760 3.399396 4.770907 2.148144 3.872895 3.424414 5.044637 5.836554 4.105671 2.666441 6.254010 6.922387 1.083960 2.138916 5.280951 8.092606 7.654029 6.244597 7.962297 6.947280 6.091925 7.240904 5.843666 4.952820 4.401446 5.534387 6.330297 5.845310 6.868639 6.139111 6.816015 7.876683 0.000000 C17H18FN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.1058,-2.766,-.438;2.8674,-2.6987,-.2551;5.5581,-1.4495,-.5197;5.6293,.3586,.833;1.669,1.2196,.2257;-3.0248,-.1907,-.0475;-5.778,.5031,.255;1.2942,2.6115,.4369;2.0778,3.6769,-.2847;.6646,3.3701,-.7056;.7015,.2267,.0737;2.9881,.8619,.2903;1.1278,-1.1093,-.0944;-.6751,.5298,.1282;-1.6418,-.4616,-.0348;-3.8574,-.9072,.9238;-3.4473,1.1917,-.2405;3.4912,-.3984,.1138;2.5601,-1.5027,-.0973;-5.3115,-.9176,.4749;-4.8917,1.2346,-.726;.1486,-2.1068,-.2563;-1.1835,-1.7849,-.2447;5.0288,-.5218,.15;-6.7482,.5108,-.0722;-5.7802,1.0021,1.1515;.955,2.812,1.4501;2.2624,4.599,.2567;2.8858,3.3617,-.9357;.5141,2.8352,-1.6372;-.1125,4.0863,-.457;3.6794,1.6698,.4939;-.9834,1.5484,.315;-3.5284,-1.9428,.996;-3.7771,-.459,1.9275;-3.3486,1.8003,.6743;-2.8289,1.6556,-1.0122;-5.9643,-1.3674,1.2232;-5.4281,-1.433,-.4793;-5.0035,.7235,-1.6826;-5.2604,2.2573,-.8058;.4711,-3.1308,-.4057; 0.4654629 0.1285640 0.1037843 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.211,2.7845,.3795;2.7662,2.6308,.1984;5.4205,1.3732,.3991;5.4336,-.5188,-.8301;1.4912,-1.2792,-.1467;-3.1779,.2149,.0533;-5.9377,-.4554,-.3049;1.0795,-2.6587,-.3337;1.8405,-3.7503,.3701;.4463,-3.4014,.8186;.5443,-.2656,-.0256;2.813,-.9433,-.2333;.9945,1.0657,.108;-.8361,-.5517,-.0717;-1.7884,.4604,.0449;-3.9828,.9175,-.9554;-3.619,-1.1652,.2301;3.3378,.3136,-.0939;2.4341,1.4332,.1267;-5.4452,.9548,-.5374;-5.0722,-1.1946,.6882;.0302,2.0823,.2301;-1.3064,1.7818,.2161;4.8727,.4143,-.1871;-6.909,-.4399,.0204;-5.9511,-.9651,-1.1959;.7025,-2.8742,-1.3311;1.9963,-4.6724,-.1793;2.6641,-3.4647,1.0151;.3382,-2.864,1.7547;-.3652,-4.0842,.5884;3.4868,-1.7651,-.4372;-1.1554,-1.5716,-.2236;-3.6422,1.946,-1.0552;-3.8863,.4376,-1.9441;-3.5066,-1.7671,-.689;-3.0239,-1.6449,1.0096;-6.0743,1.4035,-1.3064;-5.5775,1.4897,.4043;-5.1958,-.6865,1.6452;-5.4494,-2.2145,.7633;.3674,3.1041,.3558; 0.000000 4.982917 0.000000 7.760994 2.944008 0.000000 8.415179 4.253498 2.256195 0.000000 5.522417 4.127096 4.772120 4.072861 0.000000 2.764830 6.417939 8.682974 8.687706 4.906350 0.000000 4.985324 9.248562 11.526008 11.383605 7.476081 2.862546 0.000000 6.400415 5.577353 5.969731 4.876874 1.451705 5.151002 7.355069 0.000000 7.688854 6.450123 6.250376 4.979294 2.548564 6.403673 8.474235 1.505292 0.000000 6.746810 6.492567 6.907633 5.991719 2.554801 5.176652 7.120171 1.510054 1.505550 0.000000 4.130257 3.657282 5.161713 4.961492 1.392368 3.753909 6.490818 2.471565 3.738970 3.248939 0.000000 6.285962 3.600386 3.544769 2.721025 1.366597 6.108539 8.764593 2.440821 3.031285 3.570666 2.376854 0.000000 3.647364 2.365765 4.446287 4.805883 2.410424 4.258549 7.109074 3.751470 4.896715 4.556306 1.411612 2.731250 0.000000 3.636536 4.814313 6.562927 6.315474 2.439460 2.467242 5.107862 2.859677 4.194062 3.249267 1.410499 3.673594 2.449294 0.000000 2.385832 5.047606 7.275083 7.340374 3.717286 1.411068 4.263571 4.254053 5.568136 4.528311 2.444049 4.818751 2.848582 1.394542 0.000000 2.899452 7.058000 9.511278 9.526109 5.953455 1.469355 2.475827 6.229193 7.579963 6.435578 4.770618 7.082849 5.091719 3.583471 2.454586 0.000000 4.195874 7.428467 9.390737 9.137401 5.125330 1.459654 2.483220 4.962333 6.042236 4.676927 4.267119 6.452519 5.126025 2.865712 2.455264 2.423957 0.000000 6.092573 2.404467 2.388178 2.372135 2.439279 6.518125 9.309750 3.740617 4.355721 4.795271 2.853734 1.369221 2.469375 4.262721 5.130174 7.395819 7.119685 0.000000 4.844258 1.244788 2.999457 3.704450 2.884682 5.743162 8.593015 4.334873 5.223076 5.272915 2.545650 2.433386 1.485926 3.830577 4.333836 6.527851 6.588095 1.455704 0.000000 3.827380 8.412985 10.914070 10.982074 7.297727 2.457070 1.511634 7.461308 8.720255 7.451497 6.133990 8.479010 6.472897 4.871404 3.735792 1.521480 2.901448 8.817594 7.921706 0.000000 4.910730 8.735832 10.806260 10.636465 6.616812 2.445070 1.510588 6.405609 7.376883 5.944823 5.737442 7.942863 6.500012 4.351514 3.733188 2.889558 1.523978 8.579948 7.972804 2.502220 0.000000 2.353460 2.790601 5.439363 6.089798 3.684544 3.716239 6.507086 4.888339 6.108614 5.530804 2.417006 4.136756 1.406438 2.789145 2.443784 4.343530 4.885024 3.764748 2.492055 5.642787 6.081367 0.000000 1.360312 4.160180 6.741805 7.198244 4.162691 2.446301 5.169692 5.070846 6.366390 5.504604 2.770445 4.959625 2.412144 2.397793 1.416987 3.046725 3.746174 4.880635 3.757732 4.287409 4.823255 1.370040 0.000000 7.491218 3.081984 1.250271 1.264361 3.782138 8.056648 10.845979 4.883986 5.181546 5.929919 4.384433 2.467332 3.943633 5.791094 6.665269 8.902977 8.647467 1.540998 2.661516 10.338019 10.112198 5.138644 6.341446 0.000000 5.709361 10.152359 12.467867 12.372101 8.443613 3.788264 1.024432 8.298463 9.361308 7.969151 7.455480 9.738307 8.046042 6.074623 5.199222 3.370109 3.375462 10.275117 9.529576 2.097358 2.095031 7.386353 6.030229 11.814438 0.000000 5.525346 9.532327 11.718561 11.399279 7.522378 3.262417 1.026595 7.282915 8.421296 7.135831 6.636941 8.816794 7.352851 5.253366 4.571615 2.734266 2.740789 9.441026 8.821102 2.091732 2.091664 6.862636 5.577854 10.957843 1.634910 0.000000 6.590547 6.074762 6.579794 5.308736 2.137456 5.149340 7.141102 1.087849 2.226399 2.228183 2.921335 3.063931 4.204597 3.057305 4.383692 6.038985 4.902346 4.317137 4.865954 7.285920 6.343928 5.239783 5.301664 5.432652 8.104689 6.923298 0.000000 8.580147 7.353307 6.971977 5.430557 3.430686 7.121192 8.985950 2.217896 1.084591 2.239116 4.642391 3.817792 5.831921 5.001384 6.381150 8.221830 6.633211 5.163990 6.128934 9.336442 7.925355 7.046841 7.260910 5.843626 9.861911 8.828251 2.496858 0.000000 7.951305 6.150749 5.601970 4.444439 2.738931 6.970877 9.208135 2.231542 1.084411 2.227405 3.976289 2.817400 4.912692 4.681650 6.014313 8.201685 6.736591 3.994879 4.983153 9.364995 8.069137 6.190478 6.627905 4.622727 10.088735 9.238934 3.114735 1.825125 0.000000 6.347841 6.205576 6.754318 6.176046 2.730520 4.973639 7.030698 2.225499 2.226959 1.084758 3.156497 3.710148 4.310931 3.171920 4.300826 6.349428 4.568373 4.744647 5.050638 7.299638 5.761695 5.185020 5.162896 5.922752 7.836175 7.201876 3.107204 3.124029 2.513461 0.000000 7.115438 7.419461 7.955720 6.953459 3.442998 5.165198 6.709612 2.229231 2.241515 1.085240 3.973168 4.543249 5.347932 3.624332 4.793098 6.362942 4.385874 5.789518 6.204129 7.243260 5.524068 6.189484 5.952688 6.947922 7.511580 6.641857 2.507729 2.551887 3.121335 1.828610 0.000000 7.336986 4.499677 3.779907 2.344767 2.074367 6.969844 9.515983 2.569852 2.702341 3.674058 3.328093 1.082079 3.810826 4.504793 5.745648 7.953581 7.162242 2.112140 3.414061 9.337490 8.651505 5.214919 5.998520 2.594853 10.489869 9.502033 3.127549 3.277196 2.382068 3.990590 4.611688 0.000000 4.522643 5.763451 7.232045 6.700089 2.663761 2.712714 4.911544 2.487703 3.751567 2.645649 2.152691 4.017830 3.418661 1.079505 2.145207 3.837398 2.537821 4.874422 4.694292 4.988383 4.039200 3.868152 3.385560 6.346910 5.868911 4.930704 2.524822 4.421486 4.439201 2.795434 2.756175 4.651106 0.000000 2.193111 6.565669 9.196512 9.407212 6.130137 2.107369 3.405704 6.634640 8.033601 6.987209 4.845392 7.119910 4.860700 3.883293 2.617978 1.087982 3.366327 7.232523 6.211332 2.121699 3.866248 3.893217 2.664405 8.694997 4.185872 3.718209 6.495066 8.738554 8.563337 6.846506 7.057109 8.060805 4.387424 0.000000 3.703168 7.325014 9.642741 9.434832 5.924108 2.130916 2.773535 6.069589 7.462575 6.414168 4.879066 7.050833 5.331707 3.713270 2.890969 1.103189 2.714308 7.458308 6.725047 2.162498 3.316551 4.771883 3.623409 8.933498 3.710249 2.605868 5.692119 7.989451 8.178777 6.513651 6.265628 7.841243 3.801978 1.767724 0.000000 4.851504 7.712089 9.525661 9.028006 5.050676 2.141750 2.788992 4.685451 5.800511 4.535292 4.370849 6.389298 5.377626 2.998282 2.907296 2.739491 1.104307 7.178379 6.796960 3.345109 2.162308 5.307642 4.272559 8.673094 3.720336 2.622162 4.399305 6.243562 6.622921 4.685829 4.107158 6.997884 2.404751 3.733546 2.565183 0.000000 4.547279 7.243253 8.988302 8.728185 4.675044 2.096940 3.410793 4.435066 5.338855 3.894039 3.963098 6.008814 4.930221 2.674065 2.624786 3.368514 1.091770 6.747195 6.328019 3.874871 2.121761 4.881312 3.914355 8.247929 4.186242 3.727598 4.568934 5.981689 5.971975 3.653062 3.632564 6.670524 2.239916 4.188118 3.715482 1.770011 0.000000 4.435593 9.051279 11.620716 11.677078 8.110370 3.413307 2.115838 8.284014 9.592498 8.373794 6.944954 9.254372 7.216792 5.725928 4.591802 2.175748 3.871339 9.552300 8.628283 1.090119 3.425275 6.331428 5.019383 11.048463 2.419732 2.374329 8.013951 10.164691 10.268796 8.288645 8.142369 10.109907 5.849751 2.504535 2.475281 4.126360 4.895058 0.000000 3.606977 8.423908 10.998666 11.260661 7.611625 2.739838 2.101480 7.878480 9.082169 7.770513 6.383000 8.759399 6.592295 5.184127 3.942893 2.172453 3.303764 9.006381 8.016595 1.091137 2.746207 5.641659 4.285241 10.522046 2.375675 2.954078 7.841767 9.781341 9.635534 7.468207 7.633494 9.667662 5.414934 2.466550 3.079308 4.011346 4.088231 1.783451 0.000000 4.749662 8.745974 10.885883 10.915124 6.948231 2.723780 2.099280 6.869170 7.779604 6.315628 5.993170 8.230187 6.614592 4.687564 3.935399 3.287537 2.172109 8.766307 8.063181 2.742266 1.090554 6.081178 4.823185 10.292943 2.373974 2.953007 6.959446 8.422713 8.360238 5.948016 5.999609 8.993735 4.538830 4.078763 3.982671 3.077266 2.457642 3.721795 2.534110 0.000000 5.968601 9.554662 11.452463 11.128942 7.062129 3.400823 2.115196 6.635288 7.460262 6.014209 6.351769 8.418771 7.260284 4.974378 4.590650 3.861904 2.176089 9.183731 8.709766 3.425777 1.089959 6.983734 5.782251 10.693882 2.414816 2.377234 6.531963 7.897311 8.213102 5.907711 5.419855 9.027611 4.452575 4.886955 4.099587 2.466504 2.503629 4.214681 3.723780 1.782342 0.000000 2.598234 2.450163 5.341576 6.340195 4.552893 4.583431 7.270503 5.847445 7.010893 6.522387 3.395774 4.765480 2.147036 3.872440 3.425342 5.042220 5.842461 4.100333 2.667481 6.261283 6.941082 1.083319 2.137590 5.275205 8.100482 7.673884 6.220718 7.963223 6.989872 6.129881 7.229237 5.836852 4.951461 4.405505 5.522030 6.310872 5.872068 6.866590 6.160364 6.854250 7.892264 0.000000 C17H18FN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0886,-2.7777,-.4556;2.8895,-2.6942,-.2537;5.5608,-1.467,-.4135;5.594,.393,.8631;1.6644,1.2224,.1857;-3.023,-.2045,-.0679;-5.7751,.4928,.2977;1.2702,2.602,.4061;2.0481,3.7008,-.2674;.6511,3.3818,-.7293;.7049,.2246,.0358;2.9814,.867,.2683;1.138,-1.1086,-.1298;-.6718,.5277,.0844;-1.6368,-.4685,-.0609;-3.8408,-.9217,.92;-3.4454,1.1853,-.2113;3.4903,-.3928,.099;2.5728,-1.4946,-.1529;-5.302,-.9291,.4962;-4.8963,1.2454,-.6735;.1611,-2.109,-.2808;-1.1716,-1.7914,-.2638;5.0234,-.5161,.1949;-6.7453,.4984,-.0312;-5.7851,.98,1.2013;.8923,2.7972,1.4073;2.2139,4.6066,.3056;2.8703,3.4207,-.9166;.5395,2.8696,-1.679;-.1523,4.0692,-.4847;3.6652,1.6744,.4951;-.9783,1.5476,.2609;-3.5141,-1.9568,.9949;-3.7417,-.4682,1.9208;-3.3285,1.7622,.7231;-2.841,1.6766,-.9764;-5.9398,-1.3887,1.2514;-5.4378,-1.4384,-.4592;-5.023,.7633,-1.6434;-5.2598,2.2717,-.724;.4852,-3.1317,-.4311; 0.4633145 0.1290010 0.1039208 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2097,2.7877,.3661;2.7694,2.6283,.2342;5.4123,1.3935,.3889;5.4494,-.5548,-.7471;1.491,-1.277,-.1573;-3.1792,.218,.0599;-5.9429,-.4539,-.296;1.0774,-2.6552,-.3356;1.8419,-3.7505,.3562;.4525,-3.401,.8197;.5444,-.2624,-.0405;2.8138,-.9438,-.2311;.995,1.0693,.0835;-.8361,-.5503,-.0745;-1.7887,.462,.0406;-3.9875,.92,-.9493;-3.6186,-1.1654,.2238;3.3399,.314,-.1;2.4345,1.4388,.0844;-5.4491,.956,-.5277;-5.0709,-1.2011,.685;.0307,2.0852,.2081;-1.3059,1.7842,.203;4.877,.4093,-.1639;-6.9099,-.4353,.042;-5.9694,-.9604,-1.1885;.6879,-2.876,-1.3274;1.9958,-4.6694,-.1987;2.6686,-3.4688,.9991;.3608,-2.8676,1.76;-.3661,-4.0776,.5976;3.4892,-1.7691,-.4138;-1.1542,-1.572,-.214;-3.6486,1.9485,-1.051;-3.8919,.4376,-1.9372;-3.5048,-1.7567,-.7022;-3.0239,-1.6521,.9989;-6.0785,1.4061,-1.2956;-5.5798,1.4905,.4145;-5.1915,-.7045,1.6483;-5.4447,-2.2228,.7502;.3669,3.1083,.3258; 0.000000 4.983361 0.000000 7.748518 2.921276 0.000000 8.430503 4.275218 2.255595 0.000000 5.521853 4.127791 4.775634 4.066745 0.000000 2.763506 6.420649 8.677763 8.700609 4.908416 0.000000 4.988293 9.256555 11.524843 11.401622 7.480552 2.866386 0.000000 6.397134 5.576989 5.975646 4.867767 1.449955 5.150790 7.357428 0.000000 7.691822 6.447000 6.261732 4.944020 2.550500 6.406903 8.479141 1.504216 0.000000 6.752271 6.485554 6.911720 5.960204 2.558162 5.183018 7.129591 1.510430 1.505809 0.000000 4.129597 3.658086 5.159704 4.964217 1.392504 3.755802 6.495144 2.469209 3.742716 3.255646 0.000000 6.286201 3.602528 3.549602 2.713661 1.366120 6.111470 8.770579 2.440262 3.027696 3.566148 2.377114 0.000000 3.647325 2.366719 4.439689 4.813438 2.410214 4.260176 7.113258 3.748963 4.901238 4.562852 1.411306 2.731218 0.000000 3.636356 4.816392 6.560135 6.321358 2.439305 2.469492 5.112487 2.856674 4.195086 3.253716 1.410621 3.674363 2.449680 0.000000 2.385838 5.050381 7.269373 7.351497 3.717469 1.411829 4.267217 4.251272 5.570108 4.533487 2.444342 4.820069 2.849535 1.394774 0.000000 2.894655 7.069204 9.506374 9.553569 5.955481 1.471295 2.477496 6.229962 7.582892 6.443155 4.770979 7.088510 5.090620 3.585860 2.454465 0.000000 4.199142 7.429585 9.387926 9.140256 5.125004 1.460802 2.485675 4.958351 6.042986 4.682626 4.268063 6.452279 5.128297 2.865298 2.455728 2.421038 0.000000 6.093830 2.406901 2.387313 2.371375 2.439880 6.521743 9.316533 3.740396 4.355691 4.794133 2.854892 1.369672 2.470368 4.264557 5.132680 7.401296 7.121420 0.000000 4.844352 1.244743 2.993663 3.708812 2.885183 5.744955 8.596958 4.333511 5.230102 5.281334 2.545990 2.433149 1.486174 3.831258 4.334957 6.525322 6.591064 1.455664 0.000000 3.827256 8.421403 10.908787 11.004877 7.299843 2.458115 1.511678 7.461422 8.723003 7.458371 6.135460 8.483636 6.474023 4.873792 3.737024 1.521620 2.900968 8.822776 7.922066 0.000000 4.919211 8.737079 10.803548 10.636931 6.616117 2.446042 1.510308 6.399813 7.375253 5.946893 5.739257 7.941862 6.504723 4.351297 3.735443 2.888561 1.524134 8.582120 7.978769 2.503286 0.000000 2.353212 2.792153 5.428951 6.102873 3.683840 3.716369 6.510320 4.885021 6.112153 5.536284 2.415991 4.136888 1.406281 2.788719 2.443991 4.340825 4.887157 3.766095 2.492348 5.643072 6.087103 0.000000 1.360304 4.161912 6.732171 7.211670 4.162149 2.445893 5.172934 5.067457 6.369099 5.509855 2.769765 4.960101 2.412414 2.397396 1.416937 3.043904 3.748240 4.882340 3.758250 4.287849 4.828971 1.370079 0.000000 7.493916 3.086154 1.249308 1.263843 3.782677 8.061528 10.855023 4.884415 5.175513 5.921266 4.386042 2.468234 3.945436 5.793776 6.669037 8.913834 8.649007 1.541351 2.662161 10.346923 10.113042 5.141406 6.344560 0.000000 5.708293 10.154302 12.461968 12.384982 8.445233 3.787502 1.024559 8.298612 9.363890 7.975224 7.456739 9.740748 8.046902 6.075969 5.199157 3.370477 3.376124 10.278089 9.530561 2.096228 2.093210 7.385896 6.029605 11.818847 0.000000 5.531738 9.553435 11.729108 11.434505 7.537947 3.276030 1.026457 7.297770 8.437264 7.157534 6.650931 8.835214 7.364825 5.268771 4.583868 2.742464 2.750018 9.458946 8.831876 2.092750 2.091648 6.872170 5.587194 10.980417 1.635317 0.000000 6.583462 6.088385 6.595051 5.328859 2.137998 5.143144 7.134224 1.088188 2.220594 2.222864 2.916841 3.074873 4.201291 3.049828 4.375772 6.034244 4.886546 4.326180 4.864332 7.279145 6.326005 5.234881 5.294837 5.449376 8.096781 6.928806 0.000000 8.579892 7.351326 6.983997 5.399773 3.430033 7.122838 8.989057 2.217925 1.084428 2.242307 4.642600 3.814478 5.832178 5.000270 6.380551 8.222269 6.631641 5.162406 6.130495 9.337026 7.921406 7.046475 7.260328 5.839132 9.863911 8.842044 2.490193 0.000000 7.958787 6.145658 5.616189 4.390080 2.743703 6.976470 9.215439 2.230512 1.084493 2.224376 3.984204 2.812442 4.922724 4.685422 6.019733 8.207407 6.740610 3.995971 4.997571 9.370502 8.070981 6.199301 6.635091 4.611798 10.092797 9.257031 3.112440 1.824516 0.000000 6.366613 6.191459 6.749397 6.125992 2.735564 4.994326 7.056206 2.224893 2.223445 1.084880 3.172200 3.698982 4.325752 3.188762 4.320082 6.371399 4.592771 4.738894 5.064906 7.321791 5.782436 5.200787 5.180914 5.902122 7.856860 7.238981 3.104687 3.123468 2.503228 0.000000 7.112373 7.411649 7.960320 6.930967 3.444163 5.162891 6.710487 2.231131 2.245136 1.085044 3.973992 4.540853 5.348648 3.621481 4.789818 6.362742 4.381753 5.788563 6.207908 7.241577 5.515182 6.187908 5.949816 6.942788 7.509718 6.656174 2.502125 2.561850 3.121108 1.828541 0.000000 7.338285 4.502741 3.787383 2.329726 2.073882 6.974284 9.524075 2.570660 2.689360 3.661472 3.328876 1.081976 3.811151 4.506554 5.748118 7.963627 7.161885 2.111829 3.413363 9.345175 8.649012 5.215769 5.999991 2.594907 10.494171 9.524691 3.147636 3.269336 2.357695 3.964743 4.606101 0.000000 4.522996 5.765204 7.230282 6.702731 2.662209 2.716526 4.918107 2.483648 3.748070 2.644889 2.151888 4.017468 3.418217 1.079156 2.145784 3.844235 2.535773 4.875149 4.693936 4.993455 4.035560 3.867471 3.385389 6.348502 5.872359 4.950698 2.516672 4.417848 4.436615 2.805492 2.749241 4.651945 0.000000 2.186967 6.580557 9.191360 9.440968 6.133302 2.109245 3.406632 6.636338 8.037670 6.995370 4.846674 7.127388 4.860364 3.886820 2.619243 1.087605 3.364883 7.239807 6.209106 2.121505 3.867335 3.891124 2.662242 8.708683 4.184890 3.723775 6.492852 8.739710 8.570666 6.868191 7.057407 8.073072 4.394990 0.000000 3.695666 7.340746 9.638118 9.468978 5.923139 2.131814 2.773895 6.068377 7.461701 6.419467 4.875314 7.055896 5.325852 3.712640 2.887196 1.103521 2.704495 7.462564 6.716633 2.163341 3.309224 4.764839 3.616789 8.946461 3.713128 2.613588 5.685660 7.985621 8.180607 6.532984 6.264553 7.853133 3.808262 1.768402 0.000000 4.844618 7.711695 9.519956 9.034634 5.048274 2.141577 2.793958 4.683879 5.803715 4.547566 4.366615 6.388082 5.371437 2.995272 2.901613 2.731115 1.104496 7.176397 6.790132 3.342012 2.164553 5.299882 4.265266 8.673871 3.727461 2.635280 4.384367 6.244587 6.628489 4.715903 4.114366 7.000021 2.407849 3.724343 2.547588 0.000000 4.557982 7.243471 8.989818 8.720583 4.675609 2.098357 3.410709 4.428072 5.337830 3.895648 3.967920 6.007727 4.939159 2.674432 2.629282 3.367464 1.091478 6.750606 6.339089 3.874784 2.119465 4.891108 3.923358 8.247715 4.182911 3.733495 4.548280 5.977969 5.975351 3.676026 3.620525 6.665589 2.230033 4.190025 3.706869 1.770816 0.000000 4.431397 9.061879 11.613582 11.706283 8.111150 3.413883 2.115885 8.283853 9.594317 8.380678 6.944165 9.258881 7.214524 5.727187 4.591144 2.174459 3.869350 9.556537 8.624158 1.090105 3.425647 6.327994 5.016538 11.058739 2.423081 2.371382 8.007538 10.164108 10.273302 8.310568 8.141661 10.119270 5.855470 2.501659 2.475976 4.120538 4.893596 0.000000 3.611457 8.428251 10.992565 11.277209 7.614578 2.740058 2.101766 7.878346 9.085897 7.776869 6.386364 8.763265 6.596593 5.187160 3.945873 2.172741 3.307056 9.011655 8.021279 1.091122 2.752617 5.645647 4.289148 10.528418 2.369958 2.954323 7.834832 9.783203 9.642224 7.489661 7.630251 9.672550 5.418432 2.467171 3.080225 4.012075 4.092696 1.783267 0.000000 4.767698 8.745421 10.882471 10.908180 6.945730 2.724616 2.099508 6.858596 7.772795 6.309689 5.995681 8.226402 6.623269 4.686295 3.940075 3.291885 2.171545 8.768041 8.074386 2.749296 1.090493 6.093234 4.835292 10.290699 2.367560 2.952610 6.938105 8.413648 8.357250 5.959848 5.980491 8.985573 4.529904 4.087212 3.981104 3.078406 2.453189 3.729324 2.547816 0.000000 5.976493 9.553553 11.449149 11.122290 7.058455 3.401021 2.114699 6.626013 7.455463 6.014157 6.351243 8.414360 7.263098 4.971618 4.591075 3.858699 2.174806 9.183005 8.713962 3.426045 1.089936 6.988043 5.786630 10.691152 2.417284 2.372256 6.507827 7.889739 8.212199 5.927875 5.408877 9.020874 4.445384 4.885724 4.087946 2.467747 2.499594 4.213776 3.730941 1.782118 0.000000 2.596750 2.451687 5.329261 6.356212 4.552770 4.582440 7.272460 5.844703 7.015673 6.528532 3.395147 4.766234 2.147251 3.871996 3.425029 5.037340 5.844597 4.102245 2.668452 6.259907 6.947576 1.083297 2.136956 5.278768 8.098678 7.680839 6.216769 7.963752 7.000636 6.145614 7.228332 5.838215 4.950761 4.400524 5.512807 6.301980 5.883140 6.860656 6.163432 6.868905 7.897807 0.000000 C17H18FN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0894,-2.7794,-.4448;2.8906,-2.693,-.2846;5.5512,-1.4917,-.3951;5.6093,.4266,.79;1.6644,1.2187,.1994;-3.0248,-.205,-.0784;-5.7808,.4962,.281;1.269,2.5976,.4106;2.0522,3.6992,-.2495;.6606,3.3809,-.7285;.7045,.2206,.0523;2.982,.8653,.2712;1.1373,-1.1137,-.1032;-.6721,.5268,.0869;-1.638,-.4688,-.0585;-3.848,-.921,.9088;-3.4442,1.1882,-.2093;3.4914,-.396,.1109;2.5715,-1.5031,-.1064;-5.3078,-.9258,.4793;-4.8934,1.2557,-.6765;.1596,-2.1125,-.2582;-1.1727,-1.7931,-.252;5.0266,-.5144,.1798;-6.7461,.4998,-.0622;-5.805,.9803,1.1858;.8774,2.7987,1.4058;2.2159,4.6016,.3293;2.8783,3.4223,-.8953;.5664,2.8729,-1.6824;-.1498,4.0632,-.4933;3.6679,1.6761,.4781;-.9768,1.549,.2507;-3.5239,-1.9563,.986;-3.751,-.465,1.909;-3.3271,1.7542,.7319;-2.8387,1.6859,-.9689;-5.9473,-1.3863,1.2324;-5.4409,-1.4345,-.4768;-5.0158,.7854,-1.6527;-5.2527,2.2839,-.7177;.4822,-3.1369,-.4001; 0.4637804 0.1289600 0.1037806 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2158,2.7872,.3564;2.7584,2.6277,.2254;5.4165,1.3976,.387;5.4522,-.5595,-.7363;1.4891,-1.2802,-.1556;-3.1834,.2186,.055;-5.9486,-.4456,-.2954;1.0817,-2.6608,-.3325;1.8618,-3.7528,.3476;.4751,-3.4147,.8273;.5397,-.2657,-.039;2.8124,-.9462,-.2284;.9894,1.0662,.0865;-.8413,-.5514,-.0792;-1.7931,.4615,.0361;-3.9909,.9233,-.9523;-3.626,-1.1632,.2242;3.3378,.3109,-.0949;2.4292,1.4346,.0954;-5.4517,.9619,-.5291;-5.0783,-1.1941,.6851;.0256,2.0834,.2074;-1.3115,1.7833,.1991;4.876,.4065,-.1596;-6.9147,-.4238,.0438;-5.9763,-.9524,-1.1871;.6874,-2.8763,-1.3234;2.016,-4.6691,-.212;2.6932,-3.4665,.9827;.3911,-2.8861,1.7712;-.3408,-4.0967,.6111;3.4904,-1.7701,-.4091;-1.1608,-1.5727,-.221;-3.6489,1.9515,-1.0502;-3.8973,.4428,-1.9407;-3.5135,-1.7579,-.6989;-3.0322,-1.6466,1.0023;-6.0813,1.4117,-1.2971;-5.5794,1.4968,.4131;-5.1972,-.6957,1.6476;-5.4555,-2.2147,.7499;.3621,3.1066,.3261; 0.000000 4.978450 0.000000 7.757812 2.933424 0.000000 8.437549 4.282523 2.256806 0.000000 5.525585 4.126574 4.784308 4.069762 0.000000 2.761349 6.413920 8.686705 8.706637 4.911519 0.000000 4.980969 9.248175 11.533802 11.409893 7.485669 2.865345 0.000000 6.405373 5.575935 5.981469 4.866151 1.450227 5.160666 7.371167 0.000000 7.707021 6.444391 6.258093 4.925753 2.550631 6.427396 8.506056 1.504457 0.000000 6.776847 6.487406 6.911499 5.947128 2.559309 5.213583 7.165158 1.510404 1.505773 0.000000 4.131454 3.655780 5.170251 4.970476 1.394376 3.755615 6.495816 2.473152 3.749317 3.266594 0.000000 6.289877 3.603049 3.557166 2.715914 1.366738 6.114453 8.775519 2.438387 3.018670 3.559586 2.379958 0.000000 3.648052 2.363686 4.449591 4.820370 2.411182 4.258199 7.111117 3.751567 4.904227 4.570668 1.411350 2.733464 0.000000 3.636588 4.812216 6.570839 6.327742 2.442926 2.469049 5.112949 2.865674 4.211672 3.279202 1.410786 3.677997 2.448578 0.000000 2.385417 5.044316 7.278622 7.357586 3.720656 1.411461 4.266215 4.260208 5.587088 4.560175 2.444662 4.823101 2.847987 1.394656 0.000000 2.887500 7.060080 9.514063 9.561235 5.959900 1.470862 2.477558 6.241936 7.603270 6.475351 4.772177 7.092492 5.089529 3.585638 2.453652 0.000000 4.196610 7.425060 9.399501 9.148818 5.130507 1.460710 2.485834 4.971492 6.069373 4.717195 4.269364 6.457914 5.127497 2.867198 2.456453 2.423001 0.000000 6.097357 2.409544 2.394562 2.374820 2.439932 6.523600 9.319332 3.738641 4.346069 4.788063 2.857490 1.369052 2.473465 4.267187 5.134828 7.404042 7.125265 0.000000 4.844988 1.244543 3.001680 3.715691 2.883940 5.743024 8.595131 4.332543 5.224413 5.279157 2.545495 2.433057 1.486210 3.830277 4.333479 6.525111 6.590210 1.457485 0.000000 3.819265 8.411282 10.915422 11.011469 7.303491 2.457394 1.510873 7.473185 8.745516 7.491393 6.135422 8.486815 6.471329 4.873179 3.735619 1.521377 2.901138 8.824254 7.919751 0.000000 4.914542 8.731079 10.814188 10.644952 6.621558 2.446056 1.509629 6.413513 7.404467 5.982617 5.740027 7.947265 6.502674 4.353089 3.735551 2.889139 1.523999 8.585137 7.976283 2.502387 0.000000 2.353985 2.786565 5.437334 6.109301 3.686115 3.714623 6.506886 4.890203 6.119823 5.551104 2.417255 4.139381 1.406551 2.788447 2.442884 4.338496 4.886136 3.768784 2.492204 5.639192 6.084379 0.000000 1.360230 4.156622 6.741639 7.218806 4.165863 2.444076 5.168744 5.075474 6.382829 5.532244 2.771631 4.963797 2.412730 2.397771 1.416312 3.040497 3.746945 4.885710 3.758368 4.283268 4.826010 1.370324 0.000000 7.498532 3.093001 1.254202 1.264015 3.783723 8.064515 10.858990 4.882094 5.161642 5.911289 4.389835 2.468453 3.949858 5.797607 6.672291 8.917290 8.654246 1.542566 2.666240 10.349262 10.117544 5.145256 6.348998 0.000000 5.699863 10.144676 12.469747 12.392268 8.449705 3.786226 1.024205 8.312014 9.391593 8.010543 7.456535 9.744936 8.043509 6.076004 5.197547 3.369876 3.375650 10.279774 9.527134 2.094984 2.092127 7.381105 6.024303 11.821737 0.000000 5.523404 9.545005 11.738639 11.444134 7.543426 3.273216 1.025916 7.311983 8.463638 7.193116 6.651856 8.840804 7.363296 5.268412 4.581905 2.741397 2.749557 9.462628 8.831499 2.091080 2.090380 6.868967 5.582665 10.985253 1.635564 0.000000 6.582180 6.081272 6.599633 5.330588 2.133927 5.144067 7.141539 1.088032 2.222493 2.227148 2.913164 3.072378 4.197837 3.048005 4.375157 6.038319 4.892398 4.323427 4.861103 7.283639 6.333059 5.232533 5.293920 5.447528 8.104127 6.937243 0.000000 8.592277 7.347535 6.980433 5.382476 3.430041 7.141036 9.015509 2.218235 1.084681 2.242346 4.647514 3.807145 5.834035 5.013748 6.394821 8.240501 6.656881 5.153786 6.125359 9.358160 7.950472 7.052193 7.271518 5.826150 9.891721 8.868010 2.492856 0.000000 7.974853 6.141426 5.606256 4.360927 2.743211 6.998162 9.243332 2.230565 1.084692 2.224114 3.990792 2.798699 4.924468 4.702984 6.037515 8.227462 6.768483 3.980633 4.987700 9.393333 8.102368 6.206272 6.649182 4.590138 10.121819 9.283758 3.112755 1.825444 0.000000 6.401882 6.196487 6.746909 6.108652 2.738081 5.036013 7.100600 2.225553 2.222771 1.085064 3.188351 3.691118 4.337817 3.223951 4.357483 6.413357 4.636661 4.731443 5.062695 7.364557 5.827267 5.222552 5.212883 5.889303 7.900757 7.282453 3.108717 3.122884 2.501613 0.000000 7.139250 7.414357 7.961436 6.920029 3.445164 5.197241 6.752730 2.230680 2.244834 1.085224 3.984318 4.535787 5.357267 3.646465 4.818401 6.400643 4.421295 5.784320 6.207637 7.280853 5.556505 6.204115 5.973882 6.934605 7.551725 6.699165 2.507772 2.561204 3.120982 1.829512 0.000000 7.342723 4.503240 3.791729 2.328306 2.075970 6.979295 9.532196 2.569269 2.675127 3.650428 3.332754 1.082207 3.813760 4.512022 5.752765 7.969933 7.170310 2.110111 3.413265 9.350936 8.657532 5.218652 6.004584 2.592197 10.501695 9.533799 3.149064 3.258400 2.334619 3.950337 4.597052 0.000000 4.522712 5.762236 7.242471 6.710026 2.666810 2.715808 4.919199 2.495108 3.769921 2.677286 2.152449 4.022307 3.417872 1.079506 2.145630 3.843731 2.538299 4.878704 4.693878 4.993061 4.038683 3.867550 3.385584 6.353341 5.873458 4.950441 2.516095 4.436213 4.459645 2.846421 2.781264 4.659274 0.000000 2.174978 6.567945 9.195325 9.446381 6.135433 2.107441 3.406559 6.645893 8.053633 7.023416 4.845891 7.128843 4.856995 3.884565 2.616148 1.087986 3.365412 7.240054 6.206735 2.121522 3.866419 3.885961 2.655669 8.709502 4.183856 3.723996 6.495102 8.753653 8.585409 6.905405 7.091177 8.076626 4.392996 0.000000 3.687831 7.332391 9.647605 9.479881 5.930295 2.131379 2.775642 6.083560 7.483747 6.454430 4.879023 7.062638 5.327141 3.713834 2.887148 1.102964 2.709205 7.467999 6.719693 2.162935 3.311966 4.763879 3.614164 8.952391 3.714083 2.614743 5.693609 8.005433 8.201397 6.576486 6.306156 7.862664 3.808948 1.769455 0.000000 4.843077 7.708739 9.533139 9.045511 5.054607 2.140940 2.795443 4.697420 5.828243 4.580708 4.369219 6.395059 5.372950 2.996704 2.902643 2.735159 1.103853 7.182279 6.792559 3.344063 2.163777 5.301096 4.265627 8.681004 3.728251 2.636777 4.391875 6.267970 6.653538 4.756030 4.153549 7.009952 2.407843 3.728483 2.555893 0.000000 4.554406 7.239093 9.001421 8.728632 4.681525 2.097427 3.410593 4.442334 5.367989 3.931590 3.968529 6.013638 4.936723 2.677504 2.629209 3.368158 1.091682 6.753690 6.335874 3.873477 2.119484 4.888216 3.920548 8.252572 4.181921 3.734058 4.555884 6.007806 6.007622 3.721038 3.660504 6.674703 2.236883 4.188062 3.711547 1.771449 0.000000 4.423573 9.051873 11.620449 11.714124 8.115368 3.413069 2.114316 8.296019 9.616048 8.413791 6.944979 9.262733 7.213094 5.726567 4.590011 2.174167 3.869402 9.559062 8.623703 1.090138 3.424116 6.325199 5.012744 11.061965 2.421045 2.368889 8.012625 10.184216 10.294846 8.353217 8.181428 10.125688 5.854480 2.503756 2.474397 4.122761 4.892561 0.000000 3.603076 8.416213 10.996346 11.280297 7.615661 2.739103 2.100337 7.887448 9.106765 7.807067 6.383828 8.763624 6.591017 5.185204 3.943288 2.171798 3.305542 9.010010 8.015156 1.090965 2.750575 5.639316 4.282861 10.527702 2.368171 2.952372 7.836575 9.802980 9.664004 7.529968 7.666084 9.675224 5.417308 2.464706 3.079107 4.012141 4.088572 1.784379 0.000000 4.763085 8.738418 10.891377 10.913848 6.949831 2.725390 2.098243 6.870801 7.801648 6.343582 5.995127 8.230190 6.619377 4.687928 3.940020 3.291868 2.171019 8.769059 8.069112 2.747832 1.090413 6.088947 4.831462 10.293278 2.365592 2.950973 6.943413 8.442563 8.389135 6.003539 6.018811 8.992222 4.533562 4.084515 3.982749 3.077222 2.451176 3.727418 2.544978 0.000000 5.972362 9.549418 11.462076 11.132171 7.065384 3.400827 2.113151 6.641190 7.487964 6.051223 6.353125 8.421578 7.262275 4.974351 4.591695 3.858713 2.174595 9.187689 8.712853 3.424409 1.089984 6.986361 5.784473 10.697541 2.415644 2.369899 6.516980 7.922876 8.247490 5.972924 5.451668 9.031611 4.449532 4.884786 4.090172 2.465510 2.501740 4.210918 3.728761 1.783239 0.000000 2.597773 2.445729 5.335844 6.362218 4.554793 4.580927 7.268398 5.849283 7.021425 6.541438 3.396619 4.768253 2.148078 3.872071 3.424297 5.034824 5.843461 4.104576 2.668673 6.255489 6.944256 1.083642 2.137272 5.282231 8.092945 7.677245 6.214588 7.967797 7.004973 6.164537 7.243135 5.840252 4.951184 4.395060 5.511485 6.303479 5.879735 6.857450 6.156313 6.863664 7.895522 0.000000 C17H18FN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.1003,-2.7746,-.4392;2.8749,-2.6994,-.2771;5.5534,-1.5087,-.3919;5.614,.4174,.7828;1.6664,1.2174,.1998;-3.0283,-.1993,-.0756;-5.7844,.5002,.2772;1.2803,2.5992,.4107;2.0818,3.6959,-.2361;.6927,3.393,-.7321;.7015,.2218,.0513;2.9837,.8601,.2709;1.1306,-1.1134,-.1068;-.6749,.5287,.0915;-1.6422,-.4652,-.0556;-3.8528,-.9171,.9084;-3.4476,1.1933,-.2108;3.4897,-.4015,.1072;2.5643,-1.5048,-.1176;-5.3116,-.9209,.4764;-4.8965,1.2599,-.6785;.1512,-2.1114,-.2596;-1.1809,-1.79,-.2507;5.0258,-.5236,.1776;-6.7488,.503,-.0677;-5.8092,.9838,1.1817;.8837,2.795,1.4048;2.2475,4.5946,.3483;2.9122,3.4129,-.874;.6057,2.8909,-1.69;-.1134,4.0823,-.5024;3.6739,1.6678,.4769;-.9788,1.551,.2584;-3.528,-1.953,.981;-3.7573,-.4643,1.9096;-3.3309,1.7617,.7283;-2.8415,1.6874,-.9726;-5.9528,-1.3803,1.2289;-5.4423,-1.4287,-.4803;-5.0177,.789,-1.6545;-5.2568,2.2878,-.7185;.4719,-3.1364,-.4034; 0.4632768 0.1287784 0.1036204 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2122,2.7929,.3529;2.7581,2.6319,.2305;5.4252,1.4209,.3544;5.4646,-.5931,-.6619;1.4904,-1.2755,-.1641;-3.181,.2211,.0537;-5.9462,-.4533,-.2837;1.0799,-2.6553,-.3444;1.8456,-3.7546,.3396;.4551,-3.4091,.8056;.5413,-.2602,-.0482;2.8147,-.9438,-.2237;.9921,1.0707,.081;-.8393,-.5458,-.089;-1.7911,.4666,.0283;-3.9933,.9165,-.9575;-3.618,-1.1617,.2323;3.3424,.3122,-.0866;2.4331,1.4378,.0992;-5.4529,.9532,-.5304;-5.0695,-1.1958,.6956;.0283,2.088,.2016;-1.3091,1.7884,.1917;4.8829,.4014,-.141;-6.9091,-.4289,.0638;-5.981,-.9656,-1.1713;.6943,-2.8658,-1.3397;2.0028,-4.6693,-.2219;2.6687,-3.4761,.9889;.3681,-2.8836,1.751;-.3643,-4.0836,.5789;3.4955,-1.767,-.3958;-1.1587,-1.568,-.2281;-3.6554,1.9454,-1.061;-3.9001,.43,-1.9423;-3.503,-1.7621,-.6861;-3.0221,-1.636,1.0147;-6.0859,1.394,-1.3008;-5.5789,1.4953,.4077;-5.1876,-.6958,1.6573;-5.4426,-2.2178,.7624;.3647,3.1109,.3244; 0.000000 4.974393 0.000000 7.759650 2.931802 0.000000 8.451415 4.303675 2.256193 0.000000 5.525145 4.126790 4.798149 4.062974 0.000000 2.764423 6.412203 8.694664 8.713257 4.910081 0.000000 4.988601 9.249242 11.542518 11.417899 7.482848 2.866204 0.000000 6.403616 5.576891 5.998824 4.855843 1.450870 5.156296 7.363307 0.000000 7.702874 6.452285 6.292831 4.908725 2.554588 6.415157 8.485200 1.504214 0.000000 6.766360 6.490640 6.945098 5.931120 2.562097 5.192794 7.134437 1.510308 1.506573 0.000000 4.130789 3.654603 5.180821 4.972533 1.394624 3.754667 6.494656 2.472749 3.749981 3.263740 0.000000 6.289985 3.604865 3.569442 2.708701 1.366495 6.114076 8.774799 2.439956 3.026062 3.564344 2.380403 0.000000 3.647914 2.361885 4.455317 4.829356 2.410954 4.258816 7.113099 3.751229 4.906979 4.569667 1.411073 2.733597 0.000000 3.636810 4.810522 6.580940 6.330030 2.442436 2.468199 5.111455 2.863335 4.205801 3.267181 1.410420 3.678050 2.448660 0.000000 2.386293 5.042302 7.286444 7.365013 3.720149 1.411662 4.267162 4.257615 5.580335 4.546469 2.444164 4.823417 2.848501 1.394417 0.000000 2.900081 7.066539 9.522858 9.582160 5.958613 1.471712 2.478724 6.234647 7.589068 6.450398 4.772231 7.095618 5.094799 3.583334 2.454379 0.000000 4.198766 7.419326 9.405566 9.144159 5.124969 1.461185 2.487704 4.963187 6.048538 4.687175 4.265095 6.452466 5.124418 2.864203 2.455713 2.423884 0.000000 6.099144 2.413065 2.400415 2.377859 2.440614 6.525514 9.322157 3.740527 4.354419 4.793787 2.859215 1.369231 2.475279 4.268784 5.137046 7.411879 7.121846 0.000000 4.845516 1.244499 3.003045 3.727391 2.884408 5.744610 8.598598 4.333768 5.231042 5.282403 2.546323 2.433469 1.487115 3.831262 4.334974 6.533556 6.587174 1.458845 0.000000 3.829777 8.415365 10.924108 11.027235 7.301407 2.457394 1.510778 7.465477 8.728577 7.464543 6.134783 8.487975 6.475058 4.871061 3.736049 1.521249 2.901976 8.829782 7.925955 0.000000 4.918444 8.725785 10.821415 10.638271 6.616447 2.446634 1.509586 6.405214 7.381895 5.952515 5.736692 7.941580 6.500614 4.351170 3.735886 2.890047 1.524062 8.581699 7.973741 2.503606 0.000000 2.353585 2.783627 5.440160 6.122646 3.685690 3.715748 6.510662 4.889074 6.120243 5.546638 2.416515 4.139623 1.406578 2.788179 2.443212 4.346201 4.884374 3.770885 2.493259 5.645134 6.083990 0.000000 1.360285 4.153944 6.746326 7.230677 4.165462 2.445309 5.172454 5.073606 6.379567 5.523023 2.770978 4.964171 2.413104 2.397490 1.416463 3.047278 3.746471 4.888031 3.759733 4.288393 4.827022 1.370579 0.000000 7.503492 3.102859 1.256551 1.264398 3.784353 8.068227 10.863690 4.883389 5.169933 5.917820 4.392660 2.468556 3.954117 5.800257 6.676398 8.928537 8.651415 1.544029 2.670795 10.357836 10.114366 5.150614 6.354130 0.000000 5.703050 10.141597 12.475684 12.396042 8.445128 3.784381 1.023983 8.303475 9.369148 7.978977 7.453175 9.741656 8.042316 6.072869 5.195918 3.369693 3.375951 10.279349 9.526964 2.093718 2.090814 7.381172 6.024383 11.822956 0.000000 5.536583 9.554049 11.752699 11.462973 7.545345 3.278588 1.025402 7.307182 8.444912 7.162567 6.655803 8.846612 7.371542 5.271140 4.587559 2.745723 2.755403 9.472856 8.842405 2.090816 2.090208 6.879066 5.591903 10.997923 1.635482 0.000000 6.582776 6.078620 6.605102 5.327300 2.131917 5.146721 7.143647 1.087908 2.221618 2.225896 2.912179 3.071743 4.195598 3.049406 4.376418 6.035366 4.895997 4.322296 4.859510 7.282049 6.336638 5.230630 5.293458 5.445687 8.106819 6.942552 0.000000 8.589512 7.354066 7.009635 5.365897 3.432761 7.131880 8.998056 2.218754 1.084753 2.244774 4.648254 3.812912 5.836116 5.009849 6.390059 8.227718 6.640970 5.160217 6.130615 9.343196 7.932504 7.052577 7.269233 5.832041 9.873454 8.852112 2.492838 0.000000 7.970433 6.155613 5.655255 4.342143 2.749688 6.983079 9.218127 2.230684 1.084719 2.222181 3.992971 2.811484 4.930401 4.696290 6.029715 8.213783 6.741782 3.995274 4.999387 9.374874 8.072556 6.208978 6.646383 4.605892 10.093395 9.262121 3.113391 1.825629 0.000000 6.390252 6.200439 6.786292 6.086274 2.741027 5.011658 7.065240 2.224796 2.221113 1.085171 3.185850 3.694316 4.337631 3.210801 4.342125 6.387431 4.600099 4.736719 5.066302 7.335593 5.790583 5.218572 5.203179 5.895229 7.863285 7.247790 3.107966 3.122984 2.494909 0.000000 7.123963 7.414068 7.991740 6.906437 3.446333 5.171065 6.714211 2.231169 2.246980 1.085212 3.978890 4.539611 5.352945 3.631495 4.800267 6.366382 4.386783 5.788358 6.208131 7.245252 5.521956 6.195544 5.960118 6.940139 7.513783 6.658256 2.506943 2.566617 3.120273 1.830325 0.000000 7.343771 4.504084 3.801240 2.307853 2.077500 6.980751 9.533357 2.574304 2.685806 3.658370 3.334513 1.082107 3.814060 4.514028 5.754733 7.974946 7.166793 2.107690 3.412443 9.353755 8.653167 5.219196 6.005916 2.586834 10.500416 9.541944 3.153588 3.268230 2.349888 3.954262 4.605919 0.000000 4.523771 5.761198 7.254065 6.708716 2.665979 2.714770 4.915853 2.491404 3.758873 2.657531 2.152420 4.022134 3.418256 1.079994 2.145940 3.839233 2.534734 4.880081 4.695030 4.988791 4.035572 3.867845 3.385940 6.355077 5.869398 4.950457 2.520670 4.428673 4.446484 2.824709 2.758677 4.661533 0.000000 2.190917 6.578155 9.205221 9.475049 6.136557 2.107330 3.406761 6.640991 8.044386 7.003650 4.847945 7.135131 4.865041 3.883433 2.617072 1.087954 3.365731 7.251568 6.218791 2.120670 3.866829 3.896663 2.664355 8.725372 4.182016 3.727602 6.491942 8.744903 8.578431 6.885922 7.061811 8.084578 4.389907 0.000000 3.701424 7.341747 9.654967 9.506971 5.926862 2.131904 2.778124 6.072237 7.465269 6.423173 4.877500 7.066027 5.332739 3.708815 2.886596 1.102440 2.709589 7.477335 6.729992 2.163052 3.311991 4.772610 3.621132 8.965813 3.717061 2.621565 5.686259 7.987880 8.185278 6.545124 6.263425 7.868522 3.800748 1.770113 0.000000 4.846984 7.703803 9.535556 9.043448 5.044085 2.141046 2.800749 4.681560 5.799045 4.539174 4.361052 6.387171 5.368327 2.988493 2.899607 2.736575 1.103160 7.177796 6.789177 3.346541 2.164188 5.299165 4.264944 8.677556 3.733843 2.647737 4.388914 6.243461 6.620659 4.709864 4.103749 7.004520 2.396434 3.729535 2.557545 0.000000 4.550676 7.227813 9.007693 8.713368 4.677831 2.097009 3.410963 4.439895 5.351504 3.908835 3.964909 6.006733 4.930730 2.677943 2.628544 3.368619 1.091855 6.746498 6.328178 3.872949 2.118331 4.882045 3.916439 8.244715 4.179710 3.739345 4.568097 5.998331 5.981021 3.686847 3.639320 6.669821 2.240814 4.187570 3.712524 1.771890 0.000000 4.438181 9.060562 11.629549 11.737517 8.112808 3.413012 2.113387 8.286087 9.597205 8.383964 6.944408 9.265259 7.218875 5.723426 4.590404 2.173628 3.869393 9.567464 8.633373 1.090159 3.424213 6.334212 5.020034 11.074470 2.421261 2.365464 8.007373 10.166305 10.276356 8.322612 8.140834 10.129881 5.848154 2.503794 2.473590 4.124313 4.891669 0.000000 3.608597 8.416054 11.004559 11.290005 7.614396 2.738408 2.099987 7.882435 9.093336 7.785949 6.383314 8.763572 6.592870 5.184268 3.943370 2.170917 3.306920 9.012975 8.018186 1.090748 2.753924 5.642249 4.285341 10.533134 2.364332 2.951421 7.837474 9.791876 9.647614 7.506468 7.638403 9.676480 5.415363 2.461656 3.078349 4.014520 4.087831 1.785005 0.000000 4.767121 8.731774 10.900000 10.902180 6.946099 2.727351 2.098000 6.864938 7.781854 6.318812 5.993192 8.224073 6.617705 4.688220 3.942224 3.295836 2.170564 8.764554 8.065656 2.752337 1.090267 6.088855 4.833445 10.288411 2.360956 2.950057 6.948902 8.427409 8.360522 5.971717 5.991970 8.986600 4.532853 4.088103 3.985244 3.076680 2.446627 3.731503 2.552527 0.000000 5.975767 9.542228 11.468047 11.119112 7.057788 3.400763 2.112166 6.630173 7.460417 6.016995 6.347927 8.412951 7.258369 4.970994 4.591105 3.857702 2.173826 9.181355 8.708021 3.424377 1.090010 6.984621 5.784567 10.690703 2.416379 2.365771 6.519241 7.900181 8.211465 5.931729 5.413325 9.024117 4.444626 4.883748 4.087246 2.463308 2.502145 4.208936 3.732425 1.783825 0.000000 2.596594 2.442672 5.335353 6.379718 4.554792 4.582189 7.273350 5.848788 7.023417 6.538388 3.396229 4.768999 2.148371 3.871948 3.424599 5.044945 5.841749 4.107085 2.669888 6.263515 6.943800 1.083802 2.137357 5.288838 8.093649 7.689211 6.212831 7.969520 7.009956 6.161990 7.235808 5.840830 4.951638 4.408965 5.523975 6.302895 5.872007 6.870203 6.159905 6.862655 7.893783 0.000000 C17H18FN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0949,-2.7823,-.434;2.8763,-2.6999,-.2768;5.5621,-1.5267,-.3535;5.6249,.4601,.7137;1.6648,1.2151,.2088;-3.027,-.2045,-.0758;-5.7839,.5031,.2616;1.2739,2.596,.4215;2.0604,3.7004,-.2298;.6681,3.388,-.7129;.7014,.2175,.0613;2.9835,.8619,.2681;1.133,-1.1163,-.0987;-.675,.5229,.1008;-1.6411,-.4716,-.0479;-3.8563,-.9128,.9125;-3.442,1.1889,-.2219;3.4932,-.3981,.1026;2.5684,-1.5047,-.1173;-5.3134,-.9165,.4756;-4.8898,1.2566,-.6932;.1548,-2.1155,-.251;-1.178,-1.7961,-.2418;5.0318,-.5119,.1642;-6.7448,.502,-.0924;-5.8169,.9933,1.1616;.885,2.7871,1.4194;2.2277,4.5982,.3557;2.8836,3.426,-.8808;.5794,2.8879,-1.6719;-.1426,4.0688,-.4743;3.6755,1.6702,.4653;-.98,1.5461,.2638;-3.5345,-1.949,.992;-3.7622,-.4527,1.9099;-3.324,1.7641,.712;-2.834,1.6736,-.9883;-5.958,-1.367,1.2306;-5.4414,-1.4328,-.4767;-5.009,.7829,-1.6679;-5.247,2.2855,-.7364;.4767,-3.14,-.3976; 0.4634314 0.1288075 0.1035487 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2153,2.7905,.3442;2.7549,2.6339,.2204;5.423,1.4324,.334;5.4671,-.6082,-.6267;1.4908,-1.2757,-.1655;-3.1817,.2197,.0555;-5.9477,-.4505,-.2834;1.0819,-2.6562,-.345;1.8496,-3.7544,.3381;.4587,-3.4109,.8051;.5409,-.2611,-.0496;2.8146,-.9438,-.2212;.991,1.0701,.0775;-.8395,-.5477,-.0895;-1.7917,.4641,.029;-3.9934,.9201,-.9525;-3.6198,-1.1634,.2298;3.3421,.3128,-.0865;2.4321,1.4388,.0931;-5.4529,.9565,-.5249;-5.0715,-1.1978,.6928;.0266,2.087,.1973;-1.3107,1.7864,.1892;4.883,.4,-.1353;-6.91,-.4256,.0655;-5.9845,-.9594,-1.1729;.6962,-2.8672,-1.3401;2.0084,-4.6685,-.2239;2.6722,-3.4746,.9875;.3731,-2.886,1.751;-.3604,-4.0859,.5791;3.4978,-1.7666,-.3869;-1.1585,-1.5701,-.2277;-3.6538,1.9492,-1.0502;-3.9003,.4382,-1.9394;-3.5054,-1.761,-.6903;-3.0243,-1.6401,1.011;-6.0856,1.4006,-1.2936;-5.5782,1.4951,.4153;-5.1894,-.7018,1.6565;-5.4455,-2.2198,.755;.3623,3.1106,.3166; 0.000000 4.974130 0.000000 7.758084 2.928405 0.000000 8.456508 4.311040 2.255869 0.000000 5.525223 4.126877 4.800538 4.058214 0.000000 2.761595 6.410816 8.694235 8.715100 4.910940 0.000000 4.982825 9.246686 11.542056 11.421030 7.485045 2.866095 0.000000 6.404122 5.577046 6.001895 4.848039 1.450989 5.158461 7.367790 0.000000 7.704463 6.453187 6.298588 4.890374 2.554727 6.417738 8.491165 1.503987 0.000000 6.769025 6.492552 6.951494 5.915129 2.562516 5.195750 7.140815 1.510162 1.506846 0.000000 4.130809 3.654564 5.181767 4.972065 1.394661 3.754965 6.495500 2.473134 3.750491 3.264705 0.000000 6.290015 3.605329 3.571862 2.704204 1.365909 6.114440 8.776400 2.439247 3.023836 3.562294 2.380234 0.000000 3.648425 2.361536 4.454164 4.831982 2.410702 4.258585 7.112529 3.751314 4.907266 4.570803 1.411053 2.733251 0.000000 3.636460 4.810169 6.581738 6.329751 2.442579 2.468948 5.112759 2.864130 4.206850 3.268641 1.410358 3.677915 2.448670 0.000000 2.385489 5.041376 7.285775 7.366815 3.720150 1.411616 4.266891 4.258421 5.581296 4.547835 2.443966 4.823179 2.848343 1.394419 0.000000 2.888135 7.060539 9.517644 9.588644 5.959579 1.471508 2.478978 6.238371 7.593188 6.455034 4.771728 7.096298 5.091897 3.584068 2.453242 0.000000 4.197446 7.419932 9.408579 9.144051 5.127108 1.461172 2.488083 4.966410 6.053079 4.692231 4.266514 6.453950 5.125559 2.865489 2.455829 2.424425 0.000000 6.099868 2.413795 2.400129 2.378195 2.440616 6.526006 9.323136 3.740344 4.353172 4.793180 2.859655 1.369456 2.475457 4.269208 5.137295 7.411287 7.123686 0.000000 4.846414 1.244427 3.000646 3.730934 2.884630 5.744762 8.598327 4.334049 5.231527 5.283992 2.546931 2.433509 1.487538 3.831792 4.335225 6.530567 6.589011 1.458856 0.000000 3.821110 8.410480 10.920146 11.032007 7.302526 2.457260 1.510900 7.469150 8.732947 7.469332 6.134625 8.488549 6.473013 4.871897 3.735459 1.521305 2.902363 8.829386 7.923830 0.000000 4.917902 8.726763 10.825017 10.637224 6.618642 2.446746 1.509753 6.408464 7.386711 5.957665 5.738193 7.942957 6.502000 4.352500 3.736282 2.890452 1.524133 8.583544 7.975871 2.503916 0.000000 2.354192 2.782657 5.437735 6.127213 3.685534 3.714861 6.508572 4.889387 6.120925 5.548273 2.416464 4.139362 1.406630 2.788163 2.442967 4.340901 4.884875 3.771076 2.493487 5.641275 6.084869 0.000000 1.360289 4.153022 6.744537 7.234522 4.165392 2.444079 5.170020 5.074157 6.380485 5.524711 2.770876 4.963943 2.413165 2.397432 1.416169 3.041531 3.746342 4.888318 3.760069 4.284485 4.827319 1.370617 0.000000 7.505235 3.105675 1.256018 1.264664 3.783580 8.068937 10.864977 4.881858 5.165741 5.914488 4.392980 2.468055 3.954910 5.800590 6.676963 8.928997 8.652992 1.544106 2.671696 10.358141 10.115800 5.151784 6.355169 0.000000 5.697463 10.138725 12.475075 12.397799 8.446879 3.783721 1.023948 8.307545 9.374774 7.984846 7.453563 9.742652 8.041361 6.073694 5.195198 3.369540 3.375908 10.279762 9.526328 2.093316 2.090480 7.378781 6.021701 11.823522 0.000000 5.529088 9.551455 11.752612 11.470040 7.549553 3.279501 1.025461 7.314330 8.453926 7.172039 6.658086 8.850500 7.371645 5.273948 4.588147 2.746982 2.757006 9.475471 8.842710 2.091293 2.090839 6.876891 5.589310 11.001234 1.635614 0.000000 6.582029 6.077452 6.605449 5.326678 2.131712 5.149270 7.148317 1.087895 2.221184 2.225701 2.912240 3.072329 4.195150 3.050054 4.377448 6.040361 4.898533 4.322573 4.858925 7.286786 6.339247 5.230348 5.293682 5.445689 8.111229 6.949825 0.000000 8.590645 7.353892 7.013680 5.348908 3.432644 7.135149 9.005301 2.218684 1.084723 2.245433 4.648587 3.810976 5.835939 5.011052 6.391353 8.233164 6.645998 5.158605 6.130216 9.348996 7.937990 7.052855 7.270068 5.827626 9.880558 8.862617 2.492510 0.000000 7.971960 6.157014 5.663281 4.316653 2.749623 6.984577 9.222934 2.230286 1.084732 2.221847 3.993068 2.808225 4.930409 4.696707 6.029816 8.216199 6.745746 3.993349 4.999928 9.377592 8.076810 6.209305 6.646722 4.600120 10.097773 9.269963 3.113026 1.825748 0.000000 6.395413 6.203617 6.793998 6.065563 2.741466 5.015641 7.072689 2.224523 2.220491 1.085170 3.187561 3.690919 4.339767 3.213409 4.344580 6.392256 4.607057 4.735405 5.068758 7.340791 5.797679 5.221628 5.206355 5.890264 7.870088 7.258138 3.107999 3.122799 2.493036 0.000000 7.125995 7.415397 7.997410 6.892558 3.446529 5.174144 6.721466 2.231146 2.247638 1.085169 3.979451 4.538006 5.353693 3.632574 4.801453 6.372101 4.391705 5.787868 6.209334 7.251109 5.527069 6.196774 5.961463 6.937293 7.520605 6.668998 2.506919 2.568168 3.120368 1.830560 0.000000 7.344367 4.503856 3.802589 2.297325 2.077938 6.982563 9.537238 2.574765 2.682058 3.655145 3.335167 1.082160 3.813952 4.515098 5.755628 7.978388 7.169639 2.106726 3.411827 9.356735 8.655688 5.219255 6.006391 2.583872 10.503543 9.548988 3.157321 3.265873 2.342601 3.948066 4.604037 0.000000 4.523116 5.760978 7.255826 6.706958 2.666360 2.716050 4.918624 2.492565 3.760305 2.659038 2.152437 4.022204 3.418268 1.079952 2.145940 3.842240 2.536272 4.880638 4.695614 4.991411 4.036987 3.867779 3.385783 6.355261 5.871604 4.955509 2.521899 4.430545 4.447217 2.827094 2.759852 4.663120 0.000000 2.172929 6.569226 9.196337 9.482172 6.135970 2.106429 3.407097 6.643422 8.046556 7.006191 4.845867 7.134293 4.859984 3.883021 2.614918 1.088133 3.365684 7.249102 6.213371 2.120853 3.866769 3.888527 2.655802 8.724327 4.181768 3.729285 6.496567 8.748678 8.578403 6.887887 7.065709 8.086573 4.391962 0.000000 3.686089 7.333245 9.647816 9.516605 5.928562 2.131644 2.779210 6.077822 7.471696 6.430324 4.876876 7.067680 5.328418 3.709749 2.884674 1.102257 2.710927 7.476656 6.725374 2.163376 3.313188 4.764871 3.613163 8.966672 3.718130 2.623963 5.693224 7.995934 8.189874 6.552215 6.272258 7.874146 3.805377 1.770472 0.000000 4.842573 7.702919 9.537459 9.046459 5.047065 2.141036 2.801400 4.686568 5.805771 4.546701 4.362571 6.389861 5.368655 2.989973 2.899202 2.737712 1.103065 7.180031 6.790119 3.347427 2.164000 5.298085 4.263184 8.679989 3.734455 2.649855 4.393099 6.250877 6.626722 4.718897 4.111853 7.009699 2.399635 3.730633 2.559880 0.000000 4.552893 7.231184 9.014158 8.709208 4.680054 2.096745 3.411299 4.442079 5.355177 3.912752 3.966930 6.007977 4.933475 2.679118 2.628952 3.368763 1.091891 6.748981 6.331959 3.872932 2.118456 4.884772 3.918260 8.246220 4.179462 3.741109 4.568967 6.002057 5.984616 3.693520 3.642094 6.671342 2.240577 4.186670 3.713711 1.772103 0.000000 4.426469 9.053568 11.623195 11.745020 8.114022 3.412837 2.113317 8.290446 9.602327 8.389522 6.943991 9.266110 7.215816 5.724260 4.589554 2.173675 3.869749 9.566698 8.629902 1.090163 3.424380 6.328708 5.014759 11.074845 2.421123 2.365314 8.013115 10.173153 10.279608 8.328268 8.147838 10.133820 5.851334 2.504736 2.473681 4.125251 4.891720 0.000000 3.604497 8.412761 11.001684 11.291949 7.614783 2.738461 2.099982 7.884684 9.095881 7.788766 6.383031 8.763136 6.591604 5.184837 3.943302 2.170984 3.307093 9.012254 8.016930 1.090771 2.754130 5.640143 4.283431 10.532687 2.363236 2.951647 7.840867 9.795687 9.648496 7.509699 7.641939 9.677525 5.416861 2.461164 3.078526 4.015087 4.087338 1.785197 0.000000 4.771118 8.734981 10.905343 10.898729 6.947936 2.728196 2.098042 6.866938 7.784840 6.321804 5.995050 8.224855 6.620444 4.689741 3.943688 3.296641 2.170769 8.766598 8.069251 2.752887 1.090236 6.092041 4.836188 10.289609 2.359736 2.950356 6.950454 8.430850 8.363002 5.976663 5.994326 8.987501 4.533425 4.088111 3.986549 3.076567 2.446362 3.731898 2.553045 0.000000 5.975392 9.544042 11.473410 11.117116 7.060489 3.400676 2.112104 6.633793 7.466386 6.023366 6.349771 8.414868 7.260209 4.972310 4.591354 3.857794 2.173680 9.183837 8.710833 3.424495 1.090016 6.985875 5.785004 10.692611 2.416505 2.365586 6.521408 7.906668 8.217340 5.940653 5.419549 9.027194 4.445850 4.883587 4.088101 2.462359 2.502734 4.208798 3.732676 1.783956 0.000000 2.597501 2.441495 5.331758 6.385800 4.554668 4.580999 7.270270 5.849061 7.024303 6.540462 3.396248 4.768779 2.148475 3.871944 3.424320 5.037905 5.842188 4.107215 2.669976 6.258144 6.944746 1.083803 2.137367 5.290320 8.090339 7.685431 6.212116 7.969732 7.010740 6.165795 7.237402 5.840611 4.951576 4.398435 5.513664 6.301195 5.875351 6.862366 6.157022 6.866635 7.895231 0.000000 C17H18FN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0991,-2.7787,-.4299;2.8719,-2.7036,-.2705;5.5591,-1.5416,-.335;5.6284,.4717,.6802;1.6662,1.2137,.2118;-3.0274,-.2016,-.0787;-5.7849,.5027,.2605;1.2776,2.5952,.4256;2.0669,3.699,-.223;.674,3.39,-.7078;.7014,.2176,.0629;2.9843,.8597,.267;1.1316,-1.1167,-.097;-.6746,.5247,.1016;-1.6416,-.4685,-.0499;-3.8567,-.9157,.905;-3.4428,1.1923,-.2187;3.493,-.401,.1022;2.5668,-1.5074,-.1133;-5.3137,-.9179,.4674;-4.8906,1.2619,-.6899;.1523,-2.1147,-.25;-1.1801,-1.7935,-.2424;5.032,-.5138,.1583;-6.7451,.5022,-.0951;-5.8198,.9883,1.163;.8885,2.7857,1.4235;2.2361,4.5952,.3642;2.8894,3.4237,-.8744;.5866,2.8919,-1.668;-.136,4.0715,-.4691;3.679,1.6669,.459;-.9786,1.548,.265;-3.5338,-1.9524,.9774;-3.7627,-.4619,1.9051;-3.3253,1.7634,.7177;-2.8346,1.6802,-.9831;-5.9584,-1.3723,1.2199;-5.4409,-1.4291,-.4877;-5.0096,.7937,-1.6672;-5.2482,2.2909,-.7271;.4729,-3.1399,-.3945; 0.4636340 0.1288207 0.1034995 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2141,2.7921,.3458;2.7548,2.6344,.2136;5.421,1.4352,.3341;5.4697,-.6169,-.6016;1.4901,-1.2754,-.1681;-3.1821,.2209,.0539;-5.9478,-.4516,-.2804;1.0819,-2.6563,-.3493;1.8506,-3.7538,.3336;.4591,-3.4121,.8001;.5402,-.2607,-.0524;2.814,-.9444,-.2195;.9909,1.0703,.0752;-.8403,-.5463,-.0931;-1.7921,.4658,.0265;-3.9952,.919,-.9543;-3.6192,-1.1617,.2323;3.342,.3122,-.0846;2.4322,1.4389,.0898;-5.4543,.9555,-.5252;-5.0703,-1.1958,.6973;.027,2.0876,.1956;-1.3103,1.7877,.1879;4.8832,.3976,-.1255;-6.91,-.4268,.0688;-5.9845,-.9626,-1.1688;.6975,-2.8662,-1.3451;2.0104,-4.6677,-.2286;2.6729,-3.473,.9829;.3724,-2.8877,1.7462;-.3588,-4.0881,.5733;3.4981,-1.7672,-.3808;-1.16,-1.5684,-.2323;-3.6565,1.9482,-1.0543;-3.903,.4356,-1.9405;-3.5059,-1.762,-.6862;-3.0222,-1.6359,1.0139;-6.0883,1.3975,-1.294;-5.5788,1.4957,.4142;-5.1877,-.6972,1.6597;-5.4437,-2.2178,.7625;.3634,3.1109,.3155; 0.000000 4.973150 0.000000 7.754684 2.925914 0.000000 8.459274 4.313460 2.255858 0.000000 5.525371 4.126950 4.801157 4.056957 0.000000 2.762885 6.410716 8.692831 8.716930 4.910944 0.000000 4.985413 9.246752 11.540607 11.423194 7.484199 2.865838 0.000000 6.405588 5.577312 6.002841 4.845144 1.451274 5.159668 7.367628 0.000000 7.705306 6.453022 6.298652 4.879825 2.554267 6.419115 8.491010 1.503954 0.000000 6.770843 6.494130 6.952151 5.906240 2.562338 5.197472 7.140070 1.510038 1.506916 0.000000 4.130896 3.654704 5.181429 4.972780 1.394745 3.754806 6.494785 2.473923 3.750770 3.265644 0.000000 6.289820 3.605344 3.572839 2.703009 1.365588 6.114317 8.775781 2.438726 3.021113 3.560118 2.380179 0.000000 3.648279 2.361520 4.452560 4.833635 2.410547 4.258643 7.112547 3.751772 4.906974 4.571659 1.411043 2.732967 0.000000 3.636625 4.810008 6.581238 6.330891 2.442970 2.468597 5.111749 2.865747 4.208517 3.270930 1.410361 3.678072 2.448553 0.000000 2.385765 5.041095 7.284437 7.368916 3.720564 1.411623 4.266746 4.260104 5.582950 4.550207 2.444127 4.823377 2.848385 1.394479 0.000000 2.893315 7.061796 9.517879 9.595164 5.960006 1.471338 2.478957 6.239014 7.593910 6.455764 4.772281 7.097606 5.093522 3.583537 2.453717 0.000000 4.197655 7.418839 9.406325 9.143338 5.126229 1.461016 2.487851 4.967134 6.053808 4.692478 4.265394 6.452669 5.124470 2.864743 2.455479 2.424610 0.000000 6.099632 2.413813 2.399691 2.378552 2.440676 6.526196 9.323183 3.740260 4.351016 4.792014 2.859955 1.369623 2.475455 4.269553 5.137639 7.413427 7.122593 0.000000 4.846076 1.244386 2.998730 3.732417 2.884747 5.745005 8.598555 4.334369 5.230932 5.284856 2.547291 2.433421 1.487730 3.832005 4.335439 6.532356 6.588125 1.458708 0.000000 3.825067 8.411549 10.919690 11.036831 7.302650 2.457201 1.511018 7.469761 8.733665 7.469958 6.134853 8.489191 6.474146 4.871401 3.735713 1.521329 2.902375 8.830789 7.925197 0.000000 4.917877 8.725669 10.822239 10.635518 6.617711 2.446738 1.509883 6.409212 7.387508 5.957938 5.737099 7.941369 6.500863 4.351927 3.735962 2.890694 1.524161 8.582103 7.974883 2.503993 0.000000 2.354011 2.782129 5.435026 6.129654 3.685466 3.715233 6.509386 4.890182 6.121035 5.549626 2.416477 4.139090 1.406596 2.788045 2.442983 4.343492 4.884099 3.770930 2.493365 5.643229 6.084022 0.000000 1.360315 4.152484 6.742126 7.237031 4.165575 2.444650 5.171023 5.075483 6.381393 5.526643 2.770982 4.963881 2.413156 2.397432 1.416229 3.044258 3.745950 4.888357 3.760049 4.286420 4.826851 1.370593 0.000000 7.505096 3.106106 1.255758 1.264901 3.783365 8.069178 10.865290 4.881179 5.161568 5.911229 4.393194 2.468091 3.955025 5.800918 6.677377 8.932170 8.651596 1.544071 2.671688 10.360209 10.113748 5.151825 6.355333 0.000000 5.699992 10.139058 12.473562 12.399299 8.446170 3.783792 1.023947 8.307586 9.374864 7.984403 7.453031 9.741976 8.041525 6.072994 5.195290 3.369594 3.375812 10.279747 9.526702 2.093470 2.090641 7.379724 6.022816 11.823544 0.000000 5.532423 9.551139 11.751242 11.473414 7.547741 3.278541 1.025515 7.312591 8.452052 7.169151 6.656592 8.849491 7.371317 5.271849 4.587437 2.746556 2.756290 9.475421 8.842607 2.091424 2.091007 6.877720 5.590352 11.002008 1.635672 0.000000 6.584311 6.076060 6.605486 5.327849 2.131703 5.151547 7.150094 1.087875 2.221576 2.226368 2.912802 3.072396 4.195160 3.051924 4.379688 6.041665 4.901779 4.322516 4.858228 7.288473 6.342646 5.231008 5.295335 5.446079 8.113207 6.950093 0.000000 8.592106 7.353211 7.013793 5.339936 3.432455 7.137177 9.006119 2.218631 1.084713 2.245259 4.649061 3.809048 5.835745 5.013017 6.393461 8.234309 6.648021 5.156795 6.129433 9.350318 7.940208 7.053167 7.271366 5.824163 9.881618 8.861665 2.493057 0.000000 7.971224 6.156233 5.662443 4.300063 2.748334 6.984901 9.221768 2.230030 1.084721 2.222116 3.992408 2.803578 4.928996 4.697471 6.030372 8.216182 6.745075 3.989349 4.998304 9.377465 8.076156 6.208145 6.646348 4.593043 10.096864 9.267257 3.112860 1.825889 0.000000 6.396226 6.206360 6.794828 6.054078 2.741067 5.016161 7.070116 2.224441 2.220596 1.085140 3.188188 3.688125 4.340653 3.214983 4.346114 6.392145 4.604770 4.733905 5.070176 7.340274 5.795319 5.222797 5.207696 5.885937 7.867834 7.253491 3.108431 3.122681 2.493497 0.000000 7.129654 7.417323 7.998123 6.884895 3.446690 5.177700 6.722362 2.230966 2.247426 1.085161 3.981098 4.536355 5.355351 3.636013 4.805390 6.374032 4.394369 5.787191 6.210658 7.253181 5.529837 6.199304 5.964900 6.934624 7.521841 6.667259 2.507848 2.567484 3.120462 1.830653 0.000000 7.344700 4.503344 3.803145 2.293319 2.078275 6.983291 9.537588 2.574740 2.677875 3.651753 3.335668 1.082223 3.813853 4.516129 5.756630 7.980841 7.169282 2.106174 3.411338 9.358369 8.654847 5.219236 6.006862 2.582694 10.503684 9.549213 3.159244 3.263271 2.334617 3.943332 4.601384 0.000000 4.523181 5.760923 7.256152 6.707851 2.667058 2.715142 4.916495 2.494707 3.763077 2.662128 2.152488 4.022707 3.418180 1.079897 2.145765 3.840071 2.535495 4.881259 4.695951 4.989585 4.036477 3.867602 3.385646 6.355867 5.869910 4.951667 2.524498 4.433638 4.449261 2.829092 2.764124 4.664749 0.000000 2.180138 6.571383 9.197321 9.490611 6.137110 2.106311 3.407017 6.644573 8.047832 7.007806 4.847166 7.136522 4.862584 3.882915 2.615597 1.088100 3.365742 7.252291 6.216131 2.120739 3.866746 3.892267 2.659499 8.728825 4.181785 3.728965 6.497710 8.750108 8.579080 6.889169 7.068320 8.089866 4.390211 0.000000 3.692338 7.334984 9.649353 9.526197 5.929151 2.131542 2.779219 6.077927 7.471773 6.429932 4.877715 7.069917 5.330742 3.709060 2.885479 1.102207 2.711663 7.479996 6.727870 2.163282 3.313929 4.768391 3.616683 8.971792 3.717957 2.623508 5.693968 7.996371 8.189408 6.551010 6.272571 7.877931 3.802328 1.770392 0.000000 4.844978 7.702855 9.536826 9.048714 5.046265 2.141109 2.800858 4.686248 5.805122 4.544566 4.361901 6.389544 5.368692 2.989081 2.899618 2.738430 1.103071 7.180346 6.790346 3.347651 2.163794 5.298882 4.264365 8.680683 3.733761 2.648675 4.395655 6.251487 6.624988 4.714307 4.111125 7.010616 2.397150 3.731442 2.561338 0.000000 4.550458 7.228370 9.009983 8.704032 4.678415 2.096412 3.411328 4.443306 5.356576 3.914072 3.964671 6.004987 4.930495 2.678261 2.627743 3.368691 1.091909 6.745685 6.329187 3.872888 2.118687 4.881742 3.915844 8.241831 4.179753 3.740713 4.573255 6.005166 5.984116 3.691382 3.647082 6.669058 2.241706 4.186335 3.714270 1.772090 0.000000 4.432106 9.055574 11.623911 11.752649 8.114459 3.412824 2.113376 8.290828 9.602735 8.389674 6.944663 9.267628 7.217845 5.723796 4.590093 2.173844 3.869866 9.569301 8.632244 1.090157 3.424490 6.331841 5.017666 11.078734 2.420906 2.365711 8.014327 10.173999 10.279361 8.327487 8.149043 10.136509 5.849059 2.504885 2.473624 4.125667 4.891778 0.000000 3.606534 8.413476 11.000241 11.294450 7.614946 2.738473 2.100069 7.885854 9.097289 7.790479 6.383173 8.763209 6.592237 5.184618 3.943346 2.170996 3.306790 9.012807 8.017788 1.090791 2.753699 5.641238 4.284433 10.533288 2.363702 2.951817 7.843037 9.797730 9.648937 7.510345 7.645441 9.678272 5.415888 2.461001 3.078438 4.015006 4.086900 1.785245 0.000000 4.769055 8.733487 10.901702 10.894932 6.947486 2.728354 2.098098 6.868881 7.787141 6.324220 5.994181 8.223045 6.618911 4.689814 3.943286 3.296503 2.171010 8.764512 8.067834 2.752470 1.090242 6.090275 4.834737 10.286268 2.360131 2.950512 6.954751 8.434576 8.363709 5.976635 5.999720 8.986163 4.534361 4.087548 3.986853 3.076580 2.446945 3.731389 2.552023 0.000000 5.975270 9.542612 11.470365 11.114267 7.059184 3.400671 2.112204 6.634184 7.466677 6.022581 6.348369 8.412812 7.258733 4.971643 4.591037 3.858156 2.173784 9.181914 8.709459 3.424621 1.090014 6.984766 5.784414 10.689903 2.416377 2.366025 6.525131 7.908714 8.216056 5.936630 5.421290 9.025880 4.445391 4.883709 4.089114 2.462093 2.503165 4.208996 3.732216 1.784011 0.000000 2.597292 2.440538 5.327952 6.388372 4.554399 4.581581 7.271667 5.849597 7.023983 6.541598 3.396173 4.768238 2.148336 3.871814 3.424371 5.041217 5.841512 4.106682 2.669475 6.260848 6.943976 1.083789 2.137391 5.290008 8.091868 7.687097 6.212433 7.969559 7.009050 6.166873 7.239741 5.840109 4.951386 4.403123 5.518083 6.302328 5.872099 6.866620 6.158638 6.864599 7.894145 0.000000 C17H18FN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0987,-2.7798,-.4314;2.871,-2.7054,-.2615;5.5566,-1.5463,-.3321;5.6312,.4792,.658;1.6658,1.2128,.2152;-3.0278,-.2019,-.0779;-5.7848,.5058,.2554;1.2783,2.5947,.4302;2.0692,3.6975,-.2181;.6758,3.3905,-.7029;.7007,.2169,.0662;2.9838,.8593,.2668;1.1312,-1.1174,-.0935;-.6753,.5234,.1052;-1.6422,-.4697,-.0477;-3.8591,-.9133,.9058;-3.4417,1.1918,-.2226;3.4928,-.4015,.1022;2.5665,-1.5086,-.1082;-5.3155,-.915,.4661;-4.8887,1.2614,-.6963;.1522,-2.1155,-.2474;-1.1803,-1.7945,-.2408;5.0321,-.5128,.1512;-6.7448,.5057,-.1009;-5.8198,.9937,1.1567;.8901,2.7845,1.4286;2.2394,4.5935,.3692;2.8915,3.4208,-.8691;.5876,2.8929,-1.6632;-.1329,4.0735,-.4638;3.6797,1.6665,.4545;-.9798,1.5465,.2693;-3.5375,-1.9501,.9808;-3.7664,-.4576,1.9052;-3.3254,1.7657,.7123;-2.8316,1.6767,-.9873;-5.962,-1.367,1.2186;-5.4419,-1.4281,-.4881;-5.007,.7903,-1.6723;-5.2454,2.2906,-.7369;.4731,-3.1405,-.3921; 0.4636839 0.1288287 0.1034834 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2142,2.7903,.3498;2.7539,2.6356,.2024;5.4185,1.4428,.3255;5.4725,-.621,-.584;1.4909,-1.276,-.1679;-3.1818,.2196,.0528;-5.9472,-.4513,-.2801;1.0829,-2.6568,-.3516;1.85,-3.7541,.3339;.4574,-3.4121,.7966;.5406,-.2615,-.0528;2.8145,-.9444,-.2178;.9909,1.0696,.0746;-.8399,-.5473,-.0942;-1.7919,.4646,.0267;-3.9949,.919,-.9536;-3.6198,-1.1622,.2329;3.3422,.3127,-.0847;2.4319,1.4394,.0851;-5.4538,.9559,-.524;-5.0705,-1.1948,.699;.0269,2.0866,.1966;-1.3103,1.7864,.1896;4.8833,.3989,-.1221;-6.9103,-.4276,.0667;-5.9815,-.9623,-1.1688;.7013,-2.8655,-1.3487;2.0101,-4.6685,-.2272;2.6713,-3.473,.9842;.3667,-2.8871,1.7419;-.359,-4.0894,.5676;3.5002,-1.7665,-.3767;-1.1596,-1.569,-.2355;-3.6557,1.9481,-1.0532;-3.9039,.437,-1.9407;-3.5086,-1.7637,-.6853;-3.0218,-1.6367,1.0136;-6.0883,1.3991,-1.2917;-5.5778,1.4953,.4161;-5.1875,-.6942,1.6605;-5.4449,-2.2163,.7665;.3635,3.1098,.3161; 0.000000 4.972715 0.000000 7.750783 2.921973 0.000000 8.461375 4.314501 2.256027 0.000000 5.525460 4.127070 4.802203 4.056486 0.000000 2.762782 6.410270 8.691083 8.718269 4.911134 0.000000 4.983969 9.245042 11.538333 11.424981 7.484515 2.865056 0.000000 6.405785 5.577571 6.005288 4.844323 1.451569 5.159865 7.368230 0.000000 7.703729 6.454656 6.304137 4.876579 2.553777 6.417761 8.490076 1.504115 0.000000 6.768152 6.496326 6.957367 5.903166 2.561556 5.194830 7.137557 1.509965 1.506757 0.000000 4.130954 3.654754 5.180909 4.973438 1.394800 3.754795 6.494531 2.474036 3.749948 3.264174 0.000000 6.289591 3.605134 3.574188 2.702484 1.365424 6.114221 8.775806 2.439045 3.021403 3.560149 2.380005 0.000000 3.648152 2.361565 4.450418 4.834997 2.410532 4.258367 7.111640 3.751878 4.906481 4.570784 1.410995 2.732720 0.000000 3.636685 4.809807 6.580593 6.331804 2.443178 2.468598 5.111566 2.865907 4.207416 3.268620 1.410370 3.678034 2.448379 0.000000 2.385696 5.040658 7.282568 7.370408 3.720805 1.411543 4.266091 4.260379 5.581705 4.547707 2.444198 4.823322 2.848152 1.394592 0.000000 2.893323 7.058996 9.514339 9.598970 5.960686 1.470842 2.478484 6.239635 7.593344 6.453349 4.772422 7.098064 5.092912 3.583698 2.453719 0.000000 4.196646 7.419481 9.406694 9.144966 5.127689 1.460713 2.486996 4.968971 6.053678 4.690828 4.266369 6.453800 5.124884 2.865840 2.455705 2.424895 0.000000 6.099317 2.413433 2.399263 2.378887 2.440905 6.526093 9.322818 3.740842 4.352063 4.793022 2.860043 1.369840 2.475344 4.269637 5.137573 7.413245 7.123638 0.000000 4.845795 1.244323 2.996231 3.733377 2.884918 5.744773 8.597538 4.334727 5.231917 5.286071 2.547411 2.433275 1.487798 3.831965 4.335230 6.530991 6.588923 1.458432 0.000000 3.824010 8.409226 10.916285 11.039674 7.303245 2.457051 1.511075 7.470600 8.733042 7.467714 6.134899 8.489440 6.473384 4.871606 3.735524 1.521292 2.902233 8.830445 7.923966 0.000000 4.915436 8.725836 10.822014 10.636289 6.618960 2.446531 1.509978 6.411354 7.387628 5.956873 5.737673 7.942135 6.500597 4.352768 3.735668 2.890769 1.524107 8.582602 7.975131 2.503674 0.000000 2.354011 2.781693 5.431400 6.131479 3.685540 3.715124 6.508332 4.890395 6.120169 5.548141 2.416582 4.138827 1.406538 2.788097 2.442913 4.342971 4.884160 3.770588 2.493066 5.642329 6.083101 0.000000 1.360324 4.152011 6.738951 7.238852 4.165695 2.444577 5.169973 5.075703 6.380105 5.524349 2.771054 4.963675 2.412975 2.397513 1.416186 3.044073 3.745675 4.888093 3.759759 4.285701 4.825580 1.370548 0.000000 7.504460 3.105258 1.255601 1.265190 3.783642 8.068990 10.864998 4.882014 5.163013 5.912465 4.393233 2.468550 3.954749 5.801006 6.677218 8.932258 8.652574 1.543986 2.671140 10.359933 10.114040 5.151192 6.354832 0.000000 5.699853 10.138974 12.472576 12.401419 8.447231 3.784344 1.023970 8.308763 9.374459 7.982736 7.453729 9.742746 8.041785 6.073738 5.195770 3.369593 3.375608 10.280356 9.526996 2.093938 2.091249 7.379941 6.023033 11.824106 0.000000 5.529961 9.546327 11.746379 11.473994 7.545676 3.275314 1.025649 7.310566 8.448936 7.164083 6.653888 8.847313 7.368069 5.269067 4.584544 2.744506 2.753563 9.472728 8.838896 2.091413 2.091078 6.874692 5.587544 10.999694 1.635562 0.000000 6.585835 6.072997 6.604290 5.327924 2.131779 5.153642 7.153485 1.087847 2.222689 2.227271 2.913057 3.071676 4.194616 3.053397 4.381483 6.044262 4.906596 4.321209 4.856227 7.291701 6.348108 5.231278 5.296548 5.445220 8.116878 6.950848 0.000000 8.591374 7.354487 7.019394 5.338381 3.432567 7.136300 9.005831 2.218578 1.084717 2.244376 4.648813 3.810023 5.835776 5.012432 6.392851 8.234571 6.648401 5.158237 6.130456 9.350503 7.940974 7.052986 7.270833 5.826335 9.881547 8.859313 2.494333 0.000000 7.968686 6.158960 5.669729 4.294100 2.747264 6.982914 9.219962 2.230171 1.084671 2.222682 3.991093 2.803365 4.928136 4.695873 6.028433 8.214849 6.744088 3.990456 4.999723 9.375915 8.075134 6.206641 6.644257 4.594413 10.095764 9.263384 3.113299 1.825951 0.000000 6.390003 6.210420 6.802604 6.050977 2.739865 5.009567 7.063015 2.224533 2.221345 1.085103 3.185094 3.688698 4.338793 3.209608 4.339991 6.385597 4.598303 4.735929 5.072388 7.333553 5.789167 5.219330 5.202273 5.888388 7.861936 7.244025 3.108742 3.122702 2.495761 0.000000 7.128803 7.419517 8.002717 6.882006 3.446515 5.176904 6.721765 2.230710 2.246489 1.085191 3.980804 4.536407 5.355430 3.635343 4.804692 6.373267 4.394711 5.788153 6.212067 7.252880 5.531237 6.199187 5.964325 6.935630 7.521958 6.663806 2.508880 2.565020 3.120323 1.830574 0.000000 7.344922 4.502382 3.804336 2.290193 2.078859 6.984142 9.539019 2.576233 2.679282 3.652864 3.336095 1.082271 3.813736 4.516993 5.757390 7.982634 7.171616 2.105555 3.410674 9.359941 8.656912 5.219158 6.007152 2.582071 10.505682 9.548694 3.160148 3.265672 2.334749 3.945048 4.602285 0.000000 4.523125 5.760732 7.256517 6.708543 2.667506 2.715038 4.916541 2.495060 3.762493 2.660279 2.152565 4.022938 3.418037 1.079863 2.145769 3.839950 2.537261 4.881570 4.695991 4.989895 4.038434 3.867597 3.385629 6.356305 5.870720 4.948735 2.526438 4.433230 4.448445 2.824342 2.763742 4.666139 0.000000 2.180643 6.567475 9.192206 9.494442 6.137277 2.106116 3.406766 6.644686 8.046865 7.005141 4.846864 7.136425 4.861474 3.882723 2.615443 1.088142 3.365941 7.251437 6.213960 2.120780 3.866533 3.891351 2.659205 8.728218 4.182219 3.727412 6.499365 8.750040 8.577326 6.882676 7.067325 8.090967 4.389710 0.000000 3.693136 7.331625 9.646445 9.532910 5.931353 2.131394 2.778811 6.079849 7.473025 6.428813 4.879079 7.072038 5.331043 3.710320 2.886481 1.102264 2.713425 7.481043 6.726876 2.163048 3.315434 4.768699 3.617427 8.973500 3.716996 2.621169 5.697755 7.998565 8.190011 6.545885 6.272647 7.881783 3.803012 1.770011 0.000000 4.846173 7.704564 9.539181 9.054043 5.049806 2.141223 2.798775 4.689392 5.806452 4.543406 4.364893 6.393083 5.371206 2.991792 2.901585 2.739613 1.103220 7.183688 6.792844 3.347578 2.163224 5.301157 4.266252 8.684375 3.731282 2.644106 4.401964 6.253259 6.625720 4.708567 4.110790 7.015610 2.399575 3.732912 2.564250 0.000000 4.548739 7.229763 9.010875 8.702738 4.678786 2.096280 3.411230 4.444451 5.355413 3.912125 3.964745 6.004911 4.930253 2.678580 2.627226 3.368771 1.091912 6.745929 6.329925 3.873026 2.119277 4.881120 3.914806 8.241696 4.180776 3.738619 4.577398 6.004305 5.982069 3.684549 3.647696 6.669892 2.243439 4.186200 3.715677 1.771810 0.000000 4.431523 9.052395 11.619966 11.757290 8.115641 3.412779 2.113611 8.292165 9.602850 8.387831 6.945132 9.268548 7.217328 5.724362 4.590262 2.174180 3.870165 9.569326 8.630840 1.090153 3.424519 6.331171 5.017318 11.079044 2.420307 2.367024 8.018018 10.175099 10.278530 8.321115 8.148975 10.138968 5.849583 2.505196 2.473573 4.126246 4.892217 0.000000 3.604890 8.412101 10.996803 11.295502 7.614977 2.738706 2.100107 7.886318 9.095891 7.787925 6.382881 8.762744 6.591297 5.184625 3.942983 2.171123 3.305998 9.012022 8.016773 1.090845 2.752080 5.640118 4.283400 10.532216 2.365389 2.952031 7.845902 9.797041 9.646494 7.503331 7.645120 9.678801 5.416218 2.461375 3.078404 4.014409 4.086461 1.785070 0.000000 4.764446 8.733796 10.901188 10.893971 6.948575 2.728113 2.098119 6.871531 7.787780 6.324468 5.994464 8.223340 6.618005 4.690631 3.942382 3.295199 2.171353 8.764457 8.067821 2.750579 1.090284 6.088183 4.832101 10.285651 2.362060 2.950771 6.960460 8.435843 8.363041 5.971966 6.003049 8.987606 4.537008 4.085609 3.986970 3.076548 2.448837 3.729455 2.548448 0.000000 5.973018 9.543576 11.471600 11.115720 7.061407 3.400695 2.112518 6.637510 7.467827 6.022374 6.349722 8.414604 7.259147 4.973195 4.591228 3.858973 2.174138 9.183379 8.710531 3.424681 1.090010 6.984335 5.783535 10.691237 2.415875 2.367637 6.532396 7.910621 8.215883 5.930945 5.423580 9.029153 4.448306 4.884164 4.091933 2.462125 2.503685 4.209657 3.730415 1.783864 0.000000 2.597680 2.439628 5.322769 6.389941 4.554193 4.581685 7.270641 5.849605 7.023078 6.540347 3.396110 4.767577 2.148114 3.871846 3.424421 5.040593 5.841604 4.105805 2.668724 6.259865 6.943003 1.083763 2.137560 5.288672 8.092233 7.684163 6.212110 7.969283 7.007564 6.164125 7.239783 5.839375 4.951352 4.402068 5.517946 6.304517 5.871664 6.865675 6.157607 6.862333 7.893564 0.000000 C17H18FN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0985,-2.778,-.436;2.8703,-2.7064,-.2512;5.5541,-1.5534,-.3244;5.6341,.4843,.6405;1.6664,1.2135,.2154;-3.0275,-.2011,-.0767;-5.7843,.5046,.2556;1.2788,2.5952,.4334;2.068,3.6981,-.2172;.6736,3.3908,-.6983;.7011,.2177,.0668;2.9843,.8597,.2653;1.1313,-1.1166,-.0933;-.675,.5242,.1065;-1.6419,-.4689,-.0478;-3.8587,-.9142,.9051;-3.4425,1.1918,-.2225;3.493,-.4017,.1021;2.5664,-1.5088,-.104;-5.3149,-.9164,.4648;-4.8891,1.2599,-.6974;.1523,-2.1145,-.249;-1.18,-1.7933,-.243;5.0323,-.5134,.1475;-6.7452,.5055,-.0983;-5.817,.9921,1.1573;.8935,2.7832,1.4332;2.2384,4.5945,.3692;2.8894,3.4214,-.8693;.5813,2.8928,-1.6579;-.1337,4.0746,-.4567;3.6817,1.6662,.4508;-.9796,1.5467,.2731;-3.5365,-1.9508,.9793;-3.7672,-.4602,1.9054;-3.3284,1.7667,.7121;-2.8316,1.6774,-.9863;-5.9618,-1.3697,1.2162;-5.4407,-1.4283,-.4902;-5.0071,.7871,-1.6727;-5.247,2.2887,-.74;.4736,-3.1394,-.3936; 0.4637552 0.1288497 0.1034780 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2143,2.7902,.3497;2.7535,2.6365,.1986;5.4186,1.4474,.3164;5.4733,-.6264,-.5696;1.4913,-1.2758,-.1671;-3.1813,.2193,.0521;-5.9468,-.4517,-.2789;1.0829,-2.6562,-.3522;1.8486,-3.7542,.3336;.4558,-3.4119,.7949;.5408,-.2612,-.0534;2.8149,-.9443,-.2158;.9909,1.07,.0735;-.8396,-.5472,-.0948;-1.7916,.4647,.0258;-3.9953,.9192,-.9532;-3.6192,-1.1626,.2316;3.3425,.3129,-.0837;2.432,1.44,.0833;-5.4538,.9557,-.5222;-5.0693,-1.1953,.6993;.0269,2.0869,.1954;-1.3103,1.7865,.1889;4.8837,.3987,-.1198;-6.9099,-.4287,.068;-5.9809,-.9622,-1.1678;.7023,-2.864,-1.3499;2.0086,-4.6684,-.228;2.6697,-3.4741,.9847;.3637,-2.8874,1.7403;-.3606,-4.0887,.5643;3.5011,-1.7664,-.3726;-1.1592,-1.5691,-.2359;-3.6562,1.9483,-1.0528;-3.9052,.4376,-1.9407;-3.509,-1.7633,-.6872;-3.0202,-1.6378,1.0111;-6.0891,1.3995,-1.2889;-5.5771,1.4943,.4184;-5.1854,-.6948,1.6609;-5.4438,-2.2167,.7671;.3635,3.1102,.3148; 0.000000 4.972468 0.000000 7.750217 2.920768 0.000000 8.462664 4.316718 2.255830 0.000000 5.525430 4.127097 4.803483 4.054577 0.000000 2.762827 6.409900 8.691245 8.718008 4.910880 0.000000 4.983587 9.244451 11.538358 11.425071 7.484428 2.864861 0.000000 6.405199 5.577354 6.007087 4.841736 1.451397 5.158989 7.367582 0.000000 7.703017 6.455876 6.308866 4.872003 2.553619 6.416262 8.488250 1.504127 0.000000 6.767059 6.497570 6.962153 5.898770 2.561379 5.192854 7.135031 1.510022 1.506652 0.000000 4.130868 3.654599 5.181599 4.972775 1.394872 3.754544 6.494335 2.473658 3.749835 3.264017 0.000000 6.289540 3.605204 3.575317 2.700579 1.365332 6.113931 8.775719 2.439063 3.021794 3.560344 2.379954 0.000000 3.648120 2.361420 4.450394 4.835561 2.410573 4.258171 7.111370 3.751523 4.906738 4.570994 1.410934 2.732706 0.000000 3.636688 4.809623 6.581257 6.331161 2.443163 2.468378 5.111406 2.865278 4.206530 3.267408 1.410354 3.677957 2.448360 0.000000 2.385689 5.040339 7.282735 7.370449 3.720747 1.411451 4.265889 4.259728 5.580783 4.546434 2.444089 4.823209 2.848045 1.394571 0.000000 2.893085 7.058476 9.513844 9.601551 5.961433 1.470724 2.478353 6.239583 7.592641 6.451841 4.772787 7.098925 5.093079 3.584091 2.453807 0.000000 4.196623 7.419233 9.407501 9.143386 5.127248 1.460608 2.486708 4.967997 6.051776 4.688502 4.266078 6.453278 5.124676 2.865538 2.455629 2.424643 0.000000 6.099430 2.413653 2.399429 2.378737 2.440918 6.525972 9.322789 3.740823 4.352874 4.793716 2.860087 1.369830 2.475469 4.269686 5.137589 7.414015 7.123346 0.000000 4.845836 1.244286 2.995708 3.734384 2.884997 5.744650 8.597331 4.334583 5.232866 5.287050 2.547426 2.433281 1.487870 3.832000 4.335190 6.531166 6.588804 1.458519 0.000000 3.823550 8.408579 10.915810 11.041113 7.303443 2.456886 1.510996 7.470150 8.731653 7.465534 6.134855 8.489697 6.473216 4.871607 3.735362 1.521292 2.901948 8.830700 7.923847 0.000000 4.915025 8.725274 10.822577 10.633905 6.618088 2.446313 1.509885 6.410118 7.385131 5.953939 5.737014 7.941116 6.500003 4.352182 3.735302 2.890565 1.524076 8.581828 7.974634 2.503370 0.000000 2.354036 2.781397 5.430843 6.132694 3.685589 3.715070 6.508066 4.889980 6.120174 5.548006 2.416549 4.138820 1.406527 2.788157 2.442895 4.342965 4.884121 3.770708 2.493086 5.642075 6.082685 0.000000 1.360320 4.151739 6.738662 7.239740 4.165695 2.444531 5.169664 5.075153 6.379568 5.523521 2.770985 4.963636 2.412936 2.397539 1.416165 3.044004 3.745618 4.888198 3.759788 4.285386 4.825151 1.370572 0.000000 7.504736 3.105966 1.255492 1.265210 3.783432 8.068855 10.864970 4.881829 5.163671 5.912991 4.393195 2.468341 3.954945 5.800966 6.677235 8.933199 8.652145 1.543947 2.671391 10.360310 10.113087 5.151464 6.355043 0.000000 5.699940 10.138759 12.472975 12.401169 8.447104 3.784513 1.023981 8.308031 9.372423 7.980083 7.453649 9.742603 8.041750 6.073691 5.195852 3.369667 3.375569 10.280391 9.527037 2.094108 2.091421 7.380026 6.023099 11.824103 0.000000 5.529058 9.545057 11.745615 11.474722 7.545476 3.274417 1.025639 7.309749 8.447014 7.161333 6.653338 8.847204 7.367340 5.268499 4.583765 2.743794 2.752540 9.472523 8.838206 2.091228 2.090811 6.873874 5.586680 10.999570 1.635509 0.000000 6.585167 6.071303 6.603671 5.327057 2.131651 5.153117 7.153768 1.087835 2.222769 2.227314 2.912279 3.071550 4.193513 3.052868 4.380871 6.044609 4.906220 4.320525 4.854944 7.291990 6.347866 5.230262 5.295775 5.444462 8.117090 6.950949 0.000000 8.590465 7.355130 7.023318 5.334553 3.432328 7.134624 9.003951 2.218398 1.084722 2.244140 4.648426 3.810387 5.835673 5.011361 6.391718 8.233690 6.646331 5.158818 6.130934 9.349054 7.938469 7.052668 7.270055 5.826882 9.879417 8.857314 2.494167 0.000000 7.968522 6.161560 5.676682 4.287804 2.747340 6.981757 9.218176 2.230317 1.084671 2.222869 3.991549 2.804027 4.929214 4.695415 6.027979 8.214520 6.742387 3.992000 5.001761 9.374700 8.072572 6.207421 6.644317 4.595694 10.093738 9.261540 3.113396 1.825896 0.000000 6.388567 6.212999 6.809571 6.046088 2.739862 5.006801 7.059123 2.224701 2.221579 1.085113 3.185210 3.689237 4.339591 3.208065 4.338289 6.383192 4.594994 4.737366 5.074423 7.330143 5.784818 5.219528 5.201296 5.889704 7.857909 7.239980 3.108763 3.122809 2.496550 0.000000 7.127471 7.420228 8.006826 6.877988 3.446295 5.174690 6.718944 2.230644 2.246301 1.085208 3.980445 4.536484 5.355316 3.633998 4.803211 6.371248 4.392175 5.788570 6.212621 7.250351 5.528299 6.198753 5.963255 6.935924 7.519026 6.660601 2.508747 2.564549 3.120402 1.830485 0.000000 7.345048 4.502277 3.805222 2.286366 2.079024 6.984163 9.539408 2.576847 2.679724 3.653063 3.336272 1.082296 3.813787 4.517225 5.757563 7.984109 7.171358 2.105241 3.410526 9.360730 8.656100 5.219242 6.007301 2.581225 10.505899 9.549293 3.161245 3.266511 2.334531 3.945194 4.602605 0.000000 4.523146 5.760617 7.257537 6.707400 2.667556 2.714788 4.916435 2.494447 3.761157 2.658329 2.152648 4.022933 3.418081 1.079905 2.145791 3.840494 2.536782 4.881670 4.696083 4.990016 4.037759 3.867701 3.385685 6.356247 5.870588 4.948337 2.526458 4.431788 4.447389 2.821752 2.761643 4.666509 0.000000 2.180527 6.566868 9.191214 9.497891 6.138089 2.106172 3.406726 6.644636 8.046386 7.003884 4.847257 7.137399 4.861684 3.883143 2.615580 1.088136 3.365816 7.252320 6.214146 2.120886 3.866432 3.891372 2.659215 8.729357 4.182486 3.726762 6.499476 8.749342 8.577346 6.880730 7.065528 8.092538 4.390258 0.000000 3.693139 7.331431 9.646154 9.537706 5.933275 2.131391 2.778559 6.080786 7.473333 6.428097 4.880311 7.074202 5.331898 3.711492 2.887030 1.102343 2.713158 7.482906 6.727695 2.163044 3.315294 4.769159 3.617769 8.975631 3.716672 2.620202 5.699026 7.998613 8.190769 6.544335 6.271118 7.884835 3.804433 1.769896 0.000000 4.846206 7.704690 9.540380 9.054686 5.050868 2.141178 2.798191 4.689861 5.806030 4.542449 4.365701 6.394102 5.371764 2.992602 2.902014 2.739197 1.103292 7.184627 6.793450 3.347079 2.163258 5.301552 4.266518 8.685251 3.730676 2.642596 4.402912 6.252529 6.625555 4.706766 4.109262 7.017201 2.400634 3.732534 2.563680 0.000000 4.549058 7.229514 9.011956 8.698302 4.676855 2.096281 3.411127 4.441969 5.352002 3.908545 3.963517 6.002888 4.929554 2.677245 2.626908 3.368605 1.091898 6.744540 6.329351 3.872963 2.119419 4.881004 3.914796 8.240022 4.181070 3.737657 4.575463 6.000719 5.978904 3.680171 3.644170 6.667767 2.241233 4.186240 3.715335 1.771699 0.000000 4.430925 9.051764 11.619272 11.760522 8.116527 3.412674 2.113587 8.292351 9.602127 8.386126 6.945532 9.269599 7.217460 5.724764 4.590274 2.174253 3.869965 9.570220 8.631004 1.090149 3.424311 6.331019 5.017065 11.080190 2.420170 2.367241 8.018975 10.174341 10.277997 8.318124 8.146796 10.140757 5.850218 2.505192 2.473719 4.125819 4.892173 0.000000 3.604455 8.411379 10.996288 11.295295 7.614354 2.738539 2.100005 7.885161 9.093729 7.785146 6.382282 8.762076 6.590734 5.184134 3.942590 2.171185 3.305680 9.011526 8.016288 1.090846 2.751547 5.639668 4.282937 10.531753 2.365880 2.951912 7.845541 9.794871 9.644425 7.499271 7.642207 9.678423 5.415740 2.461763 3.078477 4.013956 4.086480 1.784975 0.000000 4.763558 8.732788 10.901444 10.889718 6.946729 2.727634 2.098061 6.869547 7.784542 6.321021 5.993039 8.221210 6.616713 4.689379 3.941503 3.294664 2.171359 8.762682 8.066646 2.749964 1.090295 6.087182 4.831125 10.283603 2.362717 2.950650 6.959526 8.432705 8.359613 5.967011 5.999956 8.985470 4.535673 4.085193 3.986580 3.076646 2.449375 3.728867 2.547491 0.000000 5.972677 9.543215 11.472642 11.112963 7.060723 3.400605 2.112485 6.636542 7.465357 6.019494 6.349286 8.413748 7.258744 4.972836 4.591056 3.858979 2.174249 9.182761 8.710221 3.424485 1.090007 6.984077 5.783251 10.690374 2.415671 2.367816 6.532636 7.908176 8.213190 5.926489 5.420731 9.028495 4.447859 4.884207 4.092101 2.462556 2.503679 4.209619 3.729817 1.783795 0.000000 2.597862 2.439204 5.321541 6.391664 4.554170 4.581749 7.270446 5.849175 7.023204 6.540362 3.396031 4.767483 2.148052 3.871906 3.424464 5.040586 5.841670 4.105817 2.668622 6.259662 6.942707 1.083763 2.137672 5.288924 8.092453 7.683387 6.210972 7.969070 7.008540 6.164606 7.239484 5.839293 4.951457 4.402082 5.518291 6.304877 5.871797 6.865475 6.157314 6.861504 7.893392 0.000000 C17H18FN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0984,-2.7779,-.4371;2.87,-2.7071,-.2482;5.5542,-1.5576,-.3156;5.6349,.4903,.6268;1.6666,1.2133,.2152;-3.0272,-.201,-.0762;-5.7841,.5046,.2541;1.2786,2.5945,.435;2.0663,3.6984,-.2155;.6717,3.3909,-.6953;.7012,.2174,.0675;2.9845,.8597,.2639;1.1313,-1.1168,-.0925;-.6748,.5241,.1073;-1.6417,-.469,-.0472;-3.8592,-.9149,.9041;-3.442,1.192,-.2211;3.4933,-.4017,.1012;2.5665,-1.5092,-.1026;-5.315,-.9166,.4624;-4.8881,1.2604,-.6975;.1524,-2.1147,-.2485;-1.1799,-1.7933,-.2429;5.0326,-.5128,.1454;-6.7449,.5062,-.0998;-5.8166,.9913,1.1563;.8941,2.7813,1.4353;2.2366,4.5944,.3718;2.8875,3.4231,-.8684;.5781,2.8937,-1.6553;-.1357,4.074,-.452;3.6824,1.6663,.4475;-.9794,1.5466,.274;-3.537,-1.9516,.978;-3.7687,-.4617,1.9049;-3.329,1.7658,.7145;-2.8301,1.6786,-.9833;-5.9626,-1.3708,1.2125;-5.4399,-1.4275,-.4933;-5.005,.788,-1.6732;-5.246,2.2891,-.7401;.4738,-3.1395,-.3934; 0.4638086 0.1288725 0.1034729 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2144,2.79,.3483;2.7535,2.6368,.198;5.4185,1.4491,.3153;5.474,-.6274,-.5642;1.4916,-1.2757,-.1669;-3.1812,.219,.0517;-5.9469,-.4515,-.2781;1.0832,-2.6559,-.3529;1.8484,-3.7544,.3328;.4555,-3.4122,.7935;.5411,-.2611,-.0537;2.8152,-.9441,-.215;.991,1.0701,.073;-.8393,-.5473,-.095;-1.7915,.4645,.0253;-3.9955,.9188,-.9533;-3.6193,-1.1627,.2318;3.3428,.3131,-.0829;2.4321,1.4402,.0831;-5.4539,.9558,-.5217;-5.0694,-1.195,.7001;.0269,2.087,.1944;-1.3103,1.7864,.1879;4.8839,.399,-.1181;-6.9101,-.4285,.0688;-5.9811,-.9622,-1.1669;.7029,-2.8632,-1.3509;2.0083,-4.6684,-.2292;2.6693,-3.475,.9843;.3626,-2.8881,1.7391;-.3608,-4.0889,.5622;3.5016,-1.7662,-.3711;-1.1588,-1.5692,-.2359;-3.6563,1.9479,-1.0535;-3.906,.437,-1.9408;-3.5096,-1.7638,-.6868;-3.0203,-1.6379,1.0113;-6.0894,1.3996,-1.2882;-5.5766,1.4945,.4188;-5.1848,-.6941,1.6616;-5.4441,-2.2163,.7685;.3634,3.1103,.3134; 0.000000 4.972565 0.000000 7.749844 2.919992 0.000000 8.463051 4.317051 2.255776 0.000000 5.525407 4.127123 4.803887 4.054344 0.000000 2.762827 6.410016 8.691210 8.718263 4.910882 0.000000 4.983191 9.244596 11.538507 11.425868 7.484873 2.864899 0.000000 6.405037 5.577331 6.007722 4.841386 1.451382 5.158831 7.367986 0.000000 7.703047 6.456388 6.310472 4.871102 2.553635 6.415907 8.488215 1.504154 0.000000 6.767127 6.498144 6.963637 5.897826 2.561355 5.192370 7.134725 1.510068 1.506589 0.000000 4.130838 3.654621 5.181714 4.972799 1.394880 3.754568 6.494667 2.473576 3.749888 3.264080 0.000000 6.289518 3.605136 3.575685 2.700258 1.365371 6.113973 8.776199 2.439151 3.022052 3.560506 2.379961 0.000000 3.648114 2.361468 4.450244 4.835773 2.410584 4.258210 7.111539 3.751447 4.907006 4.571314 1.410920 2.732684 0.000000 3.636691 4.809688 6.581348 6.331243 2.443126 2.468419 5.111788 2.865083 4.206231 3.266994 1.410351 3.677964 2.448374 0.000000 2.385698 5.040476 7.282705 7.370723 3.720748 1.411436 4.265971 4.259553 5.580573 4.546152 2.444110 4.823250 2.848103 1.394593 0.000000 2.892789 7.058811 9.513899 9.602826 5.961802 1.470737 2.478273 6.239603 7.592447 6.451395 4.773092 7.099416 5.093334 3.584420 2.453929 0.000000 4.196664 7.419643 9.408021 9.143809 5.127715 1.460652 2.486664 4.968422 6.051741 4.688227 4.266544 6.453758 5.125071 2.866018 2.455884 2.424683 0.000000 6.099459 2.413612 2.399477 2.378727 2.440967 6.526051 9.323181 3.740879 4.353264 4.794043 2.860120 1.369805 2.475502 4.269730 5.137682 7.414540 7.123801 0.000000 4.845844 1.244283 2.995411 3.734627 2.885022 5.744698 8.597525 4.334566 5.233310 5.287516 2.547423 2.433241 1.487877 3.832019 4.335259 6.531501 6.589199 1.458531 0.000000 3.823042 8.408631 10.915665 11.042027 7.303748 2.456966 1.510960 7.470317 8.731520 7.465174 6.135062 8.490051 6.473278 4.871896 3.735405 1.521314 2.901954 8.830997 7.923939 0.000000 4.914806 8.725403 10.822867 10.634072 6.618498 2.446405 1.509844 6.410690 7.385229 5.953856 5.737359 7.941481 6.500189 4.352581 3.735437 2.890530 1.524098 8.582081 7.974790 2.503266 0.000000 2.354020 2.781511 5.430533 6.133052 3.685580 3.715076 6.508002 4.889850 6.120396 5.548296 2.416512 4.138799 1.406526 2.788147 2.442924 4.343014 4.884389 3.770752 2.493114 5.641910 6.082707 0.000000 1.360313 4.151859 6.738427 7.240084 4.165681 2.444526 5.169526 5.074992 6.379595 5.523577 2.770962 4.963632 2.412954 2.397536 1.416179 3.043948 3.745807 4.888254 3.759823 4.285165 4.825124 1.370578 0.000000 7.504743 3.105858 1.255505 1.265185 3.783504 8.068932 10.865395 4.881963 5.164139 5.913331 4.393231 2.468370 3.954962 5.801016 6.677327 8.933809 8.652587 1.543943 2.671379 10.360650 10.113295 5.151491 6.355086 0.000000 5.699677 10.138920 12.473137 12.401839 8.447570 3.784702 1.023980 8.308514 9.372462 7.979898 7.454021 9.743077 8.041959 6.074124 5.196030 3.369653 3.375593 10.280765 9.527243 2.094127 2.091457 7.380032 6.023066 11.824481 0.000000 5.528431 9.545138 11.745715 11.475827 7.545832 3.274090 1.025637 7.309932 8.446713 7.160647 6.653531 8.847681 7.367384 5.268683 4.583585 2.743439 2.752199 9.472931 8.838341 2.091165 2.090692 6.873634 5.586313 11.000092 1.635522 0.000000 6.584655 6.070761 6.603678 5.327356 2.131686 5.153013 7.154563 1.087839 2.222826 2.227326 2.912026 3.071634 4.193041 3.052726 4.380596 6.044638 4.907007 4.320387 4.854502 7.292355 6.348927 5.229671 5.295280 5.444497 8.117975 6.951549 0.000000 8.590287 7.355490 7.024878 5.334099 3.432371 7.134148 9.003899 2.218367 1.084729 2.243954 4.648391 3.810730 5.835788 5.010996 6.391373 8.233327 6.646256 5.159224 6.131258 9.348843 7.938621 7.052690 7.269893 5.827483 9.879451 8.856972 2.494153 0.000000 7.969028 6.162691 5.679049 4.286357 2.747545 6.981637 9.218159 2.230456 1.084665 2.222957 3.991937 2.804477 4.929981 4.695360 6.028090 8.214627 6.742391 3.992765 5.002756 9.374722 8.072571 6.208190 6.644803 4.596432 10.093759 9.261284 3.113510 1.825849 0.000000 6.388789 6.214138 6.811726 6.045004 2.739915 5.005988 7.058097 2.224808 2.221703 1.085112 3.185402 3.689574 4.340277 3.207459 4.337889 6.382451 4.594018 4.738021 5.075361 7.329276 5.783867 5.220185 5.201514 5.890333 7.856980 7.238590 3.108768 3.122802 2.496971 0.000000 7.127510 7.420671 8.008123 6.877173 3.446293 5.174247 6.718732 2.230656 2.246141 1.085215 3.980501 4.536618 5.355553 3.633659 4.802945 6.370674 4.392002 5.788821 6.212970 7.250020 5.528507 6.198960 5.963277 6.936203 7.518994 6.659864 2.508693 2.564132 3.120361 1.830430 0.000000 7.345020 4.502185 3.805737 2.285735 2.079020 6.984202 9.539987 2.576959 2.679806 3.653009 3.336265 1.082279 3.813753 4.517221 5.757595 7.984681 7.171838 2.105192 3.410473 9.361182 8.656499 5.219212 6.007290 2.581256 10.506456 9.549922 3.161629 3.266897 2.334444 3.945183 4.602589 0.000000 4.523171 5.760632 7.257691 6.707331 2.667450 2.714887 4.917080 2.494158 3.760520 2.657396 2.152612 4.022889 3.418058 1.079891 2.145816 3.840909 2.537420 4.881657 4.696054 4.990523 4.038441 3.867674 3.385686 6.356249 5.871277 4.948773 2.526562 4.431151 4.446879 2.820391 2.760849 4.666455 0.000000 2.180222 6.567080 9.190956 9.499124 6.138243 2.106230 3.406670 6.644400 8.046085 7.003413 4.847363 7.137678 4.861780 3.883290 2.615620 1.088120 3.365884 7.252672 6.214327 2.120920 3.866430 3.891310 2.659090 8.729800 4.182533 3.726417 6.499062 8.748819 8.577452 6.880166 7.064910 8.092890 4.390455 0.000000 3.693031 7.332324 9.646778 9.540030 5.934141 2.131380 2.778354 6.081043 7.473298 6.427644 4.881077 7.075319 5.332646 3.712178 2.887398 1.102370 2.713192 7.484108 6.728611 2.163042 3.315220 4.769602 3.618002 8.977014 3.716424 2.619652 5.699268 7.998341 8.191100 6.543617 6.270307 7.886077 3.805119 1.769868 0.000000 4.846312 7.705502 9.541341 9.055997 5.051767 2.141177 2.798178 4.690483 5.806053 4.542022 4.366537 6.395112 5.372514 2.993382 2.902411 2.739308 1.103298 7.185630 6.794282 3.347188 2.163318 5.302064 4.266854 8.686327 3.730623 2.642251 4.403967 6.252453 6.625663 4.705666 4.108631 7.018265 2.401579 3.732625 2.563785 0.000000 4.549313 7.229969 9.012652 8.698127 4.677279 2.096379 3.411018 4.442550 5.352087 3.908517 3.964012 6.003253 4.930013 2.677718 2.627236 3.368668 1.091877 6.744886 6.329759 3.872914 2.119346 4.881420 3.915150 8.240284 4.181043 3.737288 4.576457 6.000817 5.978926 3.679293 3.644453 6.668053 2.241801 4.186370 3.715421 1.771666 0.000000 4.430259 9.051880 11.619143 11.761988 8.116998 3.412740 2.113607 8.292606 9.602086 8.385794 6.945846 9.270169 7.217590 5.725150 4.590341 2.174268 3.870031 9.570723 8.631203 1.090152 3.424263 6.330832 5.016795 11.080797 2.420105 2.367391 8.019410 10.174207 10.278144 8.317304 8.146415 10.141485 5.850844 2.505123 2.473760 4.126033 4.892178 0.000000 3.603831 8.410960 10.995639 11.295324 7.614220 2.738566 2.100031 7.885065 9.093387 7.784707 6.382093 8.761890 6.590384 5.184096 3.942406 2.171175 3.305575 9.011246 8.015890 1.090841 2.751356 5.639182 4.282488 10.531429 2.366142 2.951930 7.845652 9.794497 9.644187 7.498324 7.641964 9.678290 5.415951 2.461855 3.078469 4.013954 4.086292 1.784963 0.000000 4.763105 8.732349 10.901154 10.888927 6.946637 2.727597 2.098102 6.869824 7.784450 6.320916 5.992911 8.220968 6.616400 4.689374 3.941324 3.294486 2.171273 8.762279 8.066224 2.749748 1.090299 6.086786 4.830770 10.283070 2.363044 2.950648 6.960270 8.432728 8.359365 5.966052 6.000361 8.985226 4.535990 4.085061 3.986404 3.076623 2.449200 3.728689 2.547149 0.000000 5.972509 9.543506 11.473241 11.113276 7.061379 3.400718 2.112502 6.637442 7.465662 6.019553 6.349834 8.414362 7.259103 4.973401 4.591287 3.859028 2.174308 9.183229 8.710564 3.424442 1.090009 6.984227 5.783319 10.690808 2.415604 2.367918 6.534207 7.908612 8.213262 5.925475 5.421144 9.029164 4.448746 4.884262 4.092144 2.462716 2.503567 4.209667 3.729631 1.783784 0.000000 2.597845 2.439316 5.321038 6.392096 4.554160 4.581751 7.270271 5.849057 7.023528 6.540765 3.395988 4.767445 2.148033 3.871894 3.424490 5.040578 5.841888 4.105841 2.668631 6.259383 6.942631 1.083762 2.137680 5.288923 8.092340 7.683058 6.210319 7.969179 7.009476 6.165469 7.239784 5.839247 4.951428 4.401986 5.518678 6.305341 5.872178 6.865135 6.156711 6.861001 7.893432 0.000000 C17H18FN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0984,-2.7778,-.4361;2.8701,-2.7072,-.2475;5.5541,-1.5591,-.3141;5.6356,.4916,.6221;1.6668,1.2134,.2153;-3.027,-.2007,-.0761;-5.7843,.5042,.2529;1.2786,2.5943,.4361;2.0659,3.6988,-.2141;.6712,3.3913,-.6936;.7014,.2174,.0679;2.9847,.8597,.2634;1.1314,-1.1169,-.092;-.6746,.5242,.1075;-1.6416,-.4688,-.0468;-3.8595,-.9147,.9039;-3.4422,1.1921,-.2215;3.4935,-.4017,.1007;2.5666,-1.5093,-.1023;-5.3151,-.9168,.4614;-4.8881,1.26,-.6986;.1524,-2.1147,-.2476;-1.1799,-1.7933,-.2421;5.0328,-.5128,.1441;-6.7451,.5058,-.1011;-5.817,.991,1.1551;.8944,2.7804,1.4367;2.236,4.5945,.3736;2.8871,3.4242,-.8674;.5771,2.8946,-1.6538;-.136,4.0743,-.4495;3.6827,1.6663,.4465;-.9791,1.5468,.274;-3.5371,-1.9513,.9783;-3.7697,-.4613,1.9047;-3.3298,1.7662,.714;-2.8302,1.6788,-.9835;-5.963,-1.3712,1.2112;-5.4393,-1.4278,-.4943;-5.0043,.7873,-1.6742;-5.2463,2.2886,-.7417;.4738,-3.1396,-.3922; 0.4638269 0.1288699 0.1034643 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2143,2.7904,.3475;2.7535,2.6368,.1983;5.4186,1.4494,.3145;5.474,-.628,-.5629;1.4915,-1.2757,-.1666;-3.1812,.2191,.0516;-5.9469,-.4516,-.2779;1.0831,-2.6559,-.3529;1.8484,-3.7546,.3325;.4555,-3.4124,.7935;.541,-.261,-.0536;2.8152,-.9441,-.2147;.991,1.0702,.0729;-.8394,-.5472,-.0949;-1.7916,.4646,.0251;-3.9957,.9189,-.9534;-3.6192,-1.1627,.2317;3.3428,.3131,-.0826;2.4321,1.4403,.0832;-5.454,.9557,-.5215;-5.0692,-1.1951,.7;.0269,2.0871,.194;-1.3103,1.7866,.1875;4.884,.3989,-.1178;-6.91,-.4287,.0691;-5.9811,-.9622,-1.1668;.7027,-2.863,-1.3508;2.0081,-4.6684,-.2298;2.6694,-3.4754,.9839;.3627,-2.8885,1.7392;-.3608,-4.089,.5621;3.5015,-1.7663,-.3706;-1.1589,-1.5691,-.2355;-3.6565,1.9479,-1.0536;-3.9063,.4369,-1.9408;-3.5094,-1.7637,-.687;-3.0201,-1.6379,1.0111;-6.0896,1.3996,-1.2879;-5.5765,1.4944,.4191;-5.1844,-.6942,1.6616;-5.4437,-2.2164,.7685;.3634,3.1104,.3129; 0.000000 4.972460 0.000000 7.749882 2.919918 0.000000 8.463096 4.317274 2.255763 0.000000 5.525444 4.127119 4.804116 4.054192 0.000000 2.762959 6.409930 8.691296 8.718166 4.910795 0.000000 4.983350 9.244568 11.538592 11.425779 7.484753 2.864904 0.000000 6.405075 5.577300 6.007964 4.841127 1.451361 5.158734 7.367811 0.000000 7.703367 6.456511 6.310973 4.870546 2.553663 6.415980 8.488110 1.504158 0.000000 6.767661 6.498307 6.964156 5.897302 2.561394 5.192615 7.134742 1.510099 1.506573 0.000000 4.130863 3.654587 5.181888 4.972734 1.394891 3.754489 6.494580 2.473569 3.750041 3.264344 0.000000 6.289550 3.605135 3.575848 2.700058 1.365413 6.113927 8.776138 2.439161 3.022054 3.560510 2.379994 0.000000 3.648118 2.361419 4.450341 4.835783 2.410596 4.258167 7.111515 3.751433 4.907200 4.571628 1.410923 2.732695 0.000000 3.636715 4.809641 6.581519 6.331194 2.443143 2.468314 5.111681 2.865103 4.206387 3.267297 1.410351 3.678012 2.448370 0.000000 2.385736 5.040422 7.282841 7.370718 3.720768 1.411384 4.265931 4.259569 5.580785 4.546548 2.444119 4.823294 2.848110 1.394589 0.000000 2.892770 7.058988 9.514084 9.603125 5.961949 1.470752 2.478228 6.239660 7.592599 6.451714 4.773221 7.099621 5.093477 3.584520 2.453974 0.000000 4.196857 7.419439 9.408029 9.143436 5.127431 1.460657 2.486686 4.968130 6.051604 4.688246 4.266312 6.453522 5.124916 2.865769 2.455807 2.424660 0.000000 6.099477 2.413652 2.399567 2.378692 2.440986 6.526011 9.323150 3.740862 4.353309 4.794105 2.860143 1.369781 2.475522 4.269758 5.137715 7.414761 7.123587 0.000000 4.845805 1.244282 2.995460 3.734721 2.885022 5.744629 8.597488 4.334537 5.233436 5.287693 2.547405 2.433235 1.487850 3.831997 4.335241 6.531675 6.588994 1.458565 0.000000 3.823133 8.408726 10.915815 11.042178 7.303768 2.456966 1.510934 7.470267 8.731556 7.465339 6.135085 8.490136 6.473349 4.871878 3.735392 1.521322 2.901958 8.831112 7.924026 0.000000 4.915071 8.725194 10.822888 10.633639 6.618170 2.446386 1.509818 6.410349 7.385012 5.953742 5.737109 7.941203 6.500038 4.352314 3.735346 2.890464 1.524110 8.581841 7.974577 2.503203 0.000000 2.354002 2.781452 5.430589 6.133110 3.685592 3.715059 6.508020 4.889837 6.120632 5.548690 2.416511 4.138814 1.406530 2.788126 2.442913 4.343114 4.884318 3.770778 2.493096 5.641985 6.082664 0.000000 1.360313 4.151794 6.738516 7.240129 4.165715 2.444548 5.169564 5.075014 6.379866 5.524038 2.770986 4.963675 2.412971 2.397543 1.416189 3.043997 3.745822 4.888292 3.759808 4.285212 4.825160 1.370572 0.000000 7.504777 3.105956 1.255533 1.265158 3.783541 8.068912 10.865381 4.881960 5.164163 5.913359 4.393274 2.468358 3.955003 5.801064 6.677379 8.934045 8.652390 1.543963 2.671449 10.360789 10.113073 5.151540 6.355142 0.000000 5.699911 10.138889 12.473232 12.401688 8.447402 3.784717 1.023978 8.308287 9.372296 7.979835 7.453908 9.742971 8.041934 6.073987 5.195994 3.369626 3.375618 10.280705 9.527195 2.094112 2.091446 7.380077 6.023137 11.824440 0.000000 5.528430 9.545113 11.745746 11.475824 7.545755 3.274047 1.025636 7.309788 8.446600 7.160680 6.653457 8.847661 7.367335 5.268606 4.583514 2.743320 2.752177 9.472924 8.838304 2.091128 2.090661 6.873584 5.586266 11.000096 1.635536 0.000000 6.584356 6.070654 6.603774 5.327407 2.131692 5.152663 7.154193 1.087838 2.222786 2.227303 2.911852 3.071733 4.192829 3.052548 4.380342 6.044446 4.906481 4.320394 4.854387 7.292097 6.348391 5.229393 5.295002 5.444549 8.117566 6.951213 0.000000 8.590400 7.355544 7.025322 5.333672 3.432364 7.134047 9.003615 2.218330 1.084733 2.243904 4.648419 3.810750 5.835842 5.011013 6.391408 8.233262 6.645965 5.159252 6.131306 9.348687 7.938265 7.052752 7.269973 5.827526 9.879113 8.856659 2.494031 0.000000 7.969691 6.163050 5.679802 4.285567 2.747712 6.981961 9.218266 2.230529 1.084665 2.223013 3.992326 2.804545 4.930463 4.695730 6.028569 8.215035 6.742473 3.992945 5.003120 9.375000 8.072563 6.208752 6.645392 4.596524 10.093805 9.261362 3.113528 1.825814 0.000000 6.389692 6.214493 6.812490 6.044423 2.740028 5.006455 7.058239 2.224868 2.221752 1.085113 3.185882 3.689632 4.340873 3.207948 4.338554 6.382983 4.594210 4.738200 5.075740 7.329602 5.783868 5.220917 5.202313 5.890458 7.857023 7.238743 3.108772 3.122819 2.497153 0.000000 7.127972 7.420783 8.008580 6.876705 3.446305 5.174450 6.718697 2.230664 2.246107 1.085218 3.980683 4.536620 5.355782 3.633896 4.803274 6.370903 4.392009 5.788859 6.213091 7.250115 5.528376 6.199264 5.963654 6.936219 7.518876 6.659841 2.508618 2.564031 3.120378 1.830408 0.000000 7.345032 4.502236 3.805986 2.285494 2.079001 6.984102 9.539850 2.576894 2.679596 3.652793 3.336259 1.082274 3.813755 4.517223 5.757599 7.984840 7.171521 2.105212 3.410501 9.361213 8.656127 5.219216 6.007308 2.581301 10.506263 9.549839 3.161774 3.266808 2.334117 3.944957 4.602410 0.000000 4.523191 5.760610 7.257908 6.707278 2.667482 2.714733 4.916887 2.494204 3.760603 2.657561 2.152623 4.022967 3.418067 1.079896 2.145800 3.840986 2.537029 4.881708 4.696054 4.990448 4.038017 3.867660 3.385688 6.356319 5.871026 4.948665 2.526510 4.431135 4.447105 2.820590 2.760976 4.666478 0.000000 2.180117 6.567357 9.191173 9.499567 6.138460 2.106249 3.406647 6.644504 8.046306 7.003806 4.847555 7.137959 4.861995 3.883429 2.615682 1.088112 3.365873 7.252984 6.214593 2.120952 3.866406 3.891471 2.659157 8.730128 4.182545 3.726289 6.498892 8.748809 8.577961 6.880814 7.065194 8.093134 4.390571 0.000000 3.692943 7.332666 9.647022 9.540560 5.934423 2.131356 2.778203 6.081172 7.473445 6.427963 4.881317 7.075674 5.332884 3.712388 2.887483 1.102369 2.713043 7.484485 6.728927 2.163042 3.315022 4.769752 3.618061 8.977399 3.716289 2.619401 5.699153 7.998236 8.191488 6.544139 6.270502 7.886389 3.805336 1.769877 0.000000 4.846308 7.705295 9.541271 9.055721 5.051553 2.141142 2.798244 4.690248 5.805917 4.542089 4.366334 6.394933 5.372327 2.993215 2.902309 2.739240 1.103283 7.185443 6.794074 3.347210 2.163370 5.301903 4.266758 8.686143 3.730689 2.642283 4.403485 6.252134 6.625710 4.705893 4.108693 7.018018 2.401391 3.732520 2.563573 0.000000 4.549594 7.229635 9.012641 8.697476 4.676814 2.096383 3.411014 4.442126 5.351879 3.908425 3.963648 6.002841 4.929774 2.677329 2.627153 3.368658 1.091879 6.744510 6.329427 3.872891 2.119339 4.881328 3.915192 8.239934 4.181036 3.737265 4.575827 6.000509 5.978930 3.679356 3.644398 6.667546 2.241158 4.186385 3.715307 1.771681 0.000000 4.430195 9.052067 11.619315 11.762350 8.117136 3.412739 2.113606 8.292657 9.602192 8.386031 6.945953 9.270380 7.217716 5.725214 4.590342 2.174257 3.870051 9.570956 8.631380 1.090152 3.424222 6.330909 5.016803 11.081056 2.420101 2.367401 8.019267 10.174107 10.278484 8.317691 8.146570 10.141658 5.850891 2.505084 2.473805 4.126087 4.892174 0.000000 3.604032 8.410911 10.995706 11.295237 7.614052 2.738489 2.100021 7.884854 9.093299 7.784725 6.381959 8.761786 6.590338 5.183909 3.942290 2.171169 3.305519 9.011188 8.015831 1.090839 2.751264 5.639202 4.282505 10.531402 2.366183 2.951916 7.845245 9.794245 9.644353 7.498497 7.641928 9.678123 5.415670 2.461939 3.078466 4.013919 4.086186 1.784981 0.000000 4.763439 8.731985 10.901085 10.888255 6.946125 2.727506 2.098109 6.869333 7.784122 6.320661 5.992506 8.220502 6.616129 4.688944 3.941133 3.294406 2.171227 8.761863 8.065861 2.749675 1.090299 6.086678 4.830768 10.282677 2.363105 2.950651 6.959605 8.432297 8.359255 5.965894 6.000113 8.984658 4.535375 4.085050 3.986224 3.076618 2.449103 3.728639 2.547034 0.000000 5.972763 9.543234 11.473207 11.112698 7.060962 3.400692 2.112498 6.637005 7.465310 6.019285 6.349523 8.413991 7.258898 4.973094 4.591183 3.858963 2.174295 9.182902 8.710283 3.424398 1.090008 6.984148 5.783336 10.690489 2.415599 2.367934 6.533603 7.908133 8.213088 5.925277 5.420860 9.028680 4.448267 4.884229 4.091932 2.462781 2.503528 4.209658 3.729558 1.783794 0.000000 2.597780 2.439267 5.321053 6.392216 4.554183 4.581743 7.270313 5.849053 7.023787 6.541173 3.395995 4.767467 2.148045 3.871876 3.424472 5.040667 5.841844 4.105881 2.668634 6.259471 6.942629 1.083765 2.137652 5.288989 8.092423 7.683014 6.210050 7.969266 7.010077 6.166223 7.240103 5.839272 4.951416 4.402133 5.518812 6.305185 5.872127 6.865207 6.156776 6.860957 7.893396 0.000000 C17H18FN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0984,-2.7781,-.4355;2.87,-2.7072,-.2478;5.5541,-1.5595,-.3132;5.6356,.4921,.621;1.6667,1.2133,.2151;-3.027,-.2008,-.0761;-5.7843,.5044,.2526;1.2786,2.5942,.4362;2.066,3.6989,-.2136;.6713,3.3915,-.6934;.7013,.2173,.0679;2.9847,.8596,.2632;1.1314,-1.1169,-.0918;-.6747,.5241,.1074;-1.6417,-.4689,-.0467;-3.8597,-.9147,.9037;-3.442,1.1921,-.2213;3.4935,-.4017,.1005;2.5665,-1.5093,-.1024;-5.3152,-.9167,.461;-4.8879,1.2602,-.6986;.1524,-2.1148,-.2473;-1.1799,-1.7935,-.2418;5.0329,-.5128,.1439;-6.745,.5061,-.1016;-5.817,.9911,1.1548;.8942,2.7801,1.4367;2.2358,4.5944,.3745;2.8873,3.4246,-.8668;.5773,2.8951,-1.6537;-.136,4.0744,-.4492;3.6826,1.6663,.4463;-.9792,1.5467,.2737;-3.5374,-1.9513,.9782;-3.7701,-.4613,1.9045;-3.3296,1.7661,.7142;-2.8299,1.6788,-.9833;-5.9633,-1.3711,1.2106;-5.4393,-1.4275,-.4948;-5.0039,.7876,-1.6743;-5.2459,2.2888,-.7418;.4737,-3.1397,-.3918; 0.4638065 0.1288727 0.1034624 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2143,2.7904,.3473;2.7535,2.6368,.1984;5.4186,1.4492,.3153;5.474,-.6277,-.5633;1.4916,-1.2757,-.1667;-3.1812,.219,.0515;-5.9469,-.4516,-.2778;1.0831,-2.6559,-.3529;1.8484,-3.7545,.3325;.4555,-3.4124,.7935;.541,-.2611,-.0537;2.8152,-.9441,-.2147;.991,1.0702,.0728;-.8394,-.5472,-.095;-1.7916,.4646,.025;-3.9957,.9189,-.9534;-3.6192,-1.1627,.2317;3.3428,.3131,-.0826;2.4321,1.4402,.0833;-5.454,.9557,-.5214;-5.0692,-1.195,.7001;.0269,2.0871,.1938;-1.3103,1.7866,.1873;4.884,.3989,-.1176;-6.91,-.4286,.0693;-5.9812,-.9622,-1.1667;.7028,-2.863,-1.3508;2.0081,-4.6683,-.2297;2.6695,-3.4754,.984;.3627,-2.8885,1.7392;-.3608,-4.089,.562;3.5015,-1.7663,-.3706;-1.1588,-1.5692,-.2356;-3.6565,1.9479,-1.0537;-3.9064,.4369,-1.9408;-3.5095,-1.7637,-.687;-3.0201,-1.6379,1.0111;-6.0897,1.3996,-1.2878;-5.5765,1.4944,.4192;-5.1844,-.6941,1.6617;-5.4438,-2.2164,.7686;.3634,3.1104,.3128; 0.000000 4.972469 0.000000 7.749935 2.920038 0.000000 8.463047 4.317174 2.255764 0.000000 5.525436 4.127111 4.804040 4.054290 0.000000 2.762959 6.409950 8.691294 8.718199 4.910801 0.000000 4.983313 9.244613 11.538636 11.425878 7.484823 2.864917 0.000000 6.405065 5.577289 6.007853 4.841261 1.451355 5.158741 7.367904 0.000000 7.703348 6.456455 6.310715 4.870800 2.553658 6.415965 8.488173 1.504155 0.000000 6.767639 6.498239 6.963887 5.897541 2.561395 5.192582 7.134773 1.510101 1.506576 0.000000 4.130867 3.654588 5.181855 4.972767 1.394879 3.754505 6.494643 2.473556 3.750021 3.264326 0.000000 6.289562 3.605137 3.575775 2.700145 1.365426 6.113954 8.776226 2.439160 3.022038 3.560508 2.380003 0.000000 3.648122 2.361419 4.450360 4.835757 2.410588 4.258184 7.111561 3.751423 4.907174 4.571600 1.410925 2.732704 0.000000 3.636714 4.809644 6.581484 6.331231 2.443134 2.468330 5.111747 2.865094 4.206371 3.267277 1.410351 3.678023 2.448372 0.000000 2.385740 5.040452 7.282859 7.370742 3.720773 1.411378 4.265944 4.259567 5.580771 4.546524 2.444138 4.823323 2.848136 1.394596 0.000000 2.892725 7.059083 9.514242 9.603147 5.961998 1.470756 2.478236 6.239715 7.592632 6.451718 4.773272 7.099699 5.093533 3.584559 2.453974 0.000000 4.196865 7.419470 9.408000 9.143557 5.127483 1.460664 2.486699 4.968188 6.051630 4.688249 4.266368 6.453589 5.124961 2.865831 2.455829 2.424675 0.000000 6.099479 2.413653 2.399564 2.378701 2.440979 6.526024 9.323212 3.740848 4.353267 4.794064 2.860138 1.369774 2.475518 4.269754 5.137734 7.414838 7.123630 0.000000 4.845800 1.244285 2.995522 3.734681 2.885010 5.744634 8.597528 4.334521 5.233387 5.287634 2.547395 2.433240 1.487837 3.831987 4.335255 6.531746 6.589021 1.458571 0.000000 3.823070 8.408761 10.915889 11.042201 7.303803 2.456969 1.510935 7.470321 8.731582 7.465336 6.135118 8.490193 6.473372 4.871912 3.735383 1.521322 2.901963 8.831151 7.924049 0.000000 4.915063 8.725188 10.822805 10.633763 6.618219 2.446400 1.509813 6.410416 7.385046 5.953756 5.737157 7.941261 6.500064 4.352374 3.735364 2.890470 1.524115 8.581863 7.974576 2.503197 0.000000 2.353998 2.781471 5.430654 6.133060 3.685576 3.715057 6.508023 4.889817 6.120603 5.548657 2.416504 4.138823 1.406531 2.788111 2.442920 4.343129 4.884337 3.770782 2.493096 5.641967 6.082662 0.000000 1.360316 4.151810 6.738559 7.240098 4.165705 2.444546 5.169557 5.075000 6.379846 5.524016 2.770987 4.963687 2.412979 2.397534 1.416193 3.043979 3.745841 4.888296 3.759807 4.285179 4.825168 1.370569 0.000000 7.504786 3.105953 1.255531 1.265152 3.783553 8.068938 10.865461 4.881965 5.164134 5.913332 4.393282 2.468362 3.955008 5.801074 6.677411 8.934142 8.652445 1.543976 2.671463 10.360846 10.113104 5.151553 6.355156 0.000000 5.699861 10.138896 12.473223 12.401778 8.447458 3.784725 1.023978 8.308372 9.372349 7.979856 7.453954 9.743041 8.041956 6.074041 5.195996 3.369633 3.375623 10.280741 9.527204 2.094115 2.091434 7.380059 6.023117 11.824490 0.000000 5.528406 9.545245 11.745920 11.475979 7.545889 3.274076 1.025637 7.309947 8.446731 7.160769 6.653576 8.847822 7.367442 5.268715 4.583554 2.743342 2.752216 9.473068 8.838425 2.091133 2.090668 6.873633 5.586284 11.000267 1.635534 0.000000 6.584366 6.070704 6.603801 5.327453 2.131688 5.152705 7.154347 1.087837 2.222775 2.227299 2.911855 3.071739 4.192846 3.052558 4.380360 6.044545 4.906580 4.320413 4.854419 7.292209 6.348510 5.229393 5.295001 5.444590 8.117719 6.951433 0.000000 8.590373 7.355504 7.025117 5.333896 3.432347 7.134029 9.003692 2.218312 1.084734 2.243903 4.648389 3.810726 5.835813 5.010986 6.391385 8.233295 6.645992 5.159217 6.131268 9.348724 7.938310 7.052716 7.269942 5.827509 9.879186 8.856805 2.493995 0.000000 7.969697 6.162980 5.679441 4.285911 2.747734 6.981961 9.218324 2.230541 1.084665 2.223033 3.992331 2.804540 4.930453 4.695737 6.028580 8.215080 6.742506 3.992899 5.003069 9.375026 8.072594 6.208746 6.645401 4.596476 10.093845 9.261490 3.113528 1.825808 0.000000 6.389668 6.214389 6.812125 6.044716 2.740041 5.006400 7.058215 2.224876 2.221757 1.085113 3.185870 3.689640 4.340841 3.207929 4.338525 6.382956 4.594176 4.738148 5.075657 7.329551 5.783832 5.220884 5.202296 5.890413 7.856980 7.238775 3.108776 3.122823 2.497183 0.000000 7.127950 7.420728 8.008343 6.876917 3.446298 5.174418 6.718740 2.230659 2.246109 1.085218 3.980664 4.536615 5.355758 3.633875 4.803246 6.370904 4.392012 5.788824 6.213041 7.250122 5.528405 6.199231 5.963630 6.936197 7.518918 6.659933 2.508603 2.564024 3.120392 1.830410 0.000000 7.345032 4.502261 3.805937 2.285702 2.078993 6.984102 9.539916 2.576859 2.679568 3.652779 3.336248 1.082274 3.813761 4.517207 5.757603 7.984890 7.171559 2.105239 3.410525 9.361248 8.656162 5.219220 6.007306 2.581354 10.506313 9.549974 3.161721 3.266760 2.334119 3.944970 4.602382 0.000000 4.523198 5.760606 7.257837 6.707329 2.667458 2.714762 4.916993 2.494180 3.760568 2.657516 2.152611 4.022960 3.418061 1.079895 2.145806 3.841050 2.537116 4.881689 4.696035 4.990519 4.038111 3.867644 3.385683 6.356317 5.871126 4.948817 2.526513 4.431091 4.447088 2.820542 2.760934 4.666437 0.000000 2.180036 6.567435 9.191343 9.499516 6.138468 2.106240 3.406658 6.644518 8.046301 7.003777 4.847567 7.137999 4.862018 3.883429 2.615652 1.088112 3.365878 7.253027 6.214638 2.120960 3.866408 3.891457 2.659103 8.730193 4.182555 3.726313 6.498949 8.748804 8.577970 6.880759 7.065164 8.093149 4.390595 0.000000 3.692899 7.332853 9.647324 9.540621 5.934526 2.131353 2.778212 6.081279 7.473532 6.428009 4.881415 7.075817 5.332997 3.712457 2.887494 1.102364 2.713062 7.484640 6.729081 2.163043 3.315026 4.769805 3.618053 8.977585 3.716301 2.619427 5.699304 7.998321 8.191589 6.544152 6.270531 7.886498 3.805429 1.769878 0.000000 4.846320 7.705402 9.541358 9.055864 5.051639 2.141145 2.798282 4.690336 5.805972 4.542106 4.366420 6.395043 5.372414 2.993290 2.902333 2.739277 1.103278 7.185544 6.794166 3.347244 2.163374 5.301951 4.266783 8.686266 3.730722 2.642357 4.403620 6.252186 6.625773 4.705872 4.108694 7.018092 2.401491 3.732550 2.563625 0.000000 4.549601 7.229620 9.012505 8.697648 4.676874 2.096381 3.411009 4.442196 5.351915 3.908446 3.963708 6.002904 4.929807 2.677407 2.627182 3.368665 1.091880 6.744532 6.329422 3.872872 2.119325 4.881338 3.915217 8.239962 4.181014 3.737300 4.575938 6.000548 5.978969 3.679332 3.644429 6.667588 2.241263 4.186375 3.715335 1.771690 0.000000 4.430113 9.052143 11.619479 11.762367 8.117191 3.412740 2.113605 8.292734 9.602243 8.386046 6.946000 9.270462 7.217756 5.725255 4.590333 2.174254 3.870060 9.571028 8.631436 1.090151 3.424215 6.330898 5.016763 11.081151 2.420107 2.367400 8.019406 10.174171 10.278533 8.317655 8.146592 10.141719 5.850973 2.505093 2.473806 4.126132 4.892163 0.000000 3.603964 8.410857 10.995647 11.295214 7.614033 2.738483 2.100015 7.884854 9.093266 7.784674 6.381942 8.761778 6.590303 5.183907 3.942261 2.171167 3.305504 9.011151 8.015775 1.090839 2.751246 5.639141 4.282454 10.531373 2.366174 2.951914 7.845307 9.794226 9.644317 7.498397 7.641897 9.678098 5.415704 2.461945 3.078463 4.013930 4.086132 1.784985 0.000000 4.763441 8.731913 10.900893 10.888357 6.946143 2.727530 2.098091 6.869368 7.784121 6.320649 5.992527 8.220519 6.616121 4.688990 3.941152 3.294412 2.171232 8.761833 8.065804 2.749660 1.090298 6.086656 4.830778 10.282647 2.363067 2.950644 6.959693 8.432308 8.359248 5.965833 6.000127 8.984659 4.535450 4.085051 3.986226 3.076619 2.449071 3.728619 2.547003 0.000000 5.972757 9.543236 11.473114 11.112864 7.061028 3.400701 2.112490 6.637093 7.465369 6.019321 6.349582 8.414065 7.258934 4.973162 4.591203 3.858964 2.174294 9.182937 8.710292 3.424391 1.090007 6.984154 5.783348 10.690535 2.415590 2.367928 6.533741 7.908204 8.213139 5.925261 5.420914 9.028731 4.448370 4.884228 4.091929 2.462769 2.503525 4.209650 3.729543 1.783799 0.000000 2.597754 2.439301 5.321172 6.392152 4.554177 4.581727 7.270289 5.849040 7.023762 6.541139 3.395993 4.767486 2.148049 3.871861 3.424471 5.040668 5.841845 4.105901 2.668649 6.259428 6.942600 1.083765 2.137639 5.289016 8.092371 7.683040 6.210062 7.969238 7.010074 6.166183 7.240068 5.839296 4.951401 4.402110 5.518860 6.305225 5.872115 6.865171 6.156683 6.860900 7.893376 0.000000 C17H18FN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0984,-2.7781,-.4353;2.8701,-2.7072,-.2479;5.5542,-1.5592,-.3139;5.6356,.4918,.6215;1.6668,1.2133,.2152;-3.027,-.2007,-.076;-5.7843,.5044,.2524;1.2786,2.5942,.4362;2.066,3.6989,-.2136;.6713,3.3915,-.6934;.7014,.2173,.068;2.9847,.8596,.2633;1.1314,-1.1169,-.0917;-.6747,.5241,.1075;-1.6417,-.4689,-.0466;-3.8598,-.9147,.9037;-3.4421,1.1921,-.2214;3.4935,-.4017,.1005;2.5665,-1.5093,-.1024;-5.3152,-.9167,.4609;-4.8879,1.2602,-.6988;.1524,-2.1148,-.2472;-1.1799,-1.7935,-.2416;5.0329,-.5128,.1439;-6.7451,.5061,-.1018;-5.8171,.9911,1.1546;.8942,2.7802,1.4368;2.2359,4.5944,.3745;2.8873,3.4246,-.8668;.5773,2.8951,-1.6537;-.1359,4.0744,-.4492;3.6826,1.6663,.4463;-.9791,1.5467,.2738;-3.5375,-1.9513,.9782;-3.7702,-.4612,1.9045;-3.3297,1.7661,.7141;-2.8299,1.6788,-.9834;-5.9634,-1.3711,1.2104;-5.4392,-1.4276,-.495;-5.0038,.7875,-1.6744;-5.2459,2.2888,-.7419;.4737,-3.1397,-.3917; 0.4638140 0.1288708 0.1034621 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2143,2.7904,.3474;2.7536,2.6367,.1985;5.4186,1.4491,.3153;5.474,-.6275,-.5639;1.4915,-1.2757,-.1666;-3.1812,.219,.0515;-5.9469,-.4516,-.278;1.0831,-2.6559,-.3528;1.8485,-3.7545,.3325;.4556,-3.4124,.7936;.541,-.2611,-.0536;2.8152,-.9441,-.2148;.991,1.0702,.0729;-.8394,-.5472,-.0949;-1.7916,.4646,.0251;-3.9957,.9189,-.9534;-3.6192,-1.1627,.2317;3.3428,.3131,-.0826;2.4321,1.4402,.0834;-5.454,.9557,-.5215;-5.0692,-1.195,.7;.0269,2.0871,.194;-1.3103,1.7866,.1874;4.884,.3989,-.1179;-6.91,-.4286,.0691;-5.9812,-.9622,-1.1668;.7027,-2.863,-1.3507;2.0081,-4.6683,-.2297;2.6696,-3.4754,.9839;.3629,-2.8885,1.7393;-.3607,-4.089,.5622;3.5015,-1.7663,-.3708;-1.1588,-1.5692,-.2355;-3.6565,1.9479,-1.0537;-3.9063,.4369,-1.9408;-3.5094,-1.7637,-.687;-3.0202,-1.6378,1.0112;-6.0896,1.3996,-1.2879;-5.5765,1.4944,.4191;-5.1845,-.6941,1.6616;-5.4438,-2.2164,.7685;.3634,3.1104,.3129; 0.000000 4.972484 0.000000 7.749943 2.920037 0.000000 8.463008 4.317114 2.255767 0.000000 5.525436 4.127112 4.804006 4.054342 0.000000 2.762978 6.409974 8.691293 8.718190 4.910800 0.000000 4.983353 9.244640 11.538630 11.425839 7.484811 2.864925 0.000000 6.405074 5.577293 6.007808 4.841328 1.451356 5.158743 7.367892 0.000000 7.703384 6.456427 6.310616 4.870927 2.553662 6.416022 8.488236 1.504154 0.000000 6.767699 6.498209 6.963781 5.897660 2.561397 5.192684 7.134902 1.510101 1.506577 0.000000 4.130870 3.654597 5.181831 4.972782 1.394876 3.754509 6.494643 2.473560 3.750028 3.264339 0.000000 6.289562 3.605134 3.575743 2.700198 1.365428 6.113953 8.776210 2.439158 3.022029 3.560500 2.380002 0.000000 3.648123 2.361428 4.450349 4.835743 2.410587 4.258193 7.111570 3.751428 4.907173 4.571601 1.410928 2.732704 0.000000 3.636716 4.809654 6.581463 6.331239 2.443132 2.468329 5.111746 2.865102 4.206406 3.267342 1.410351 3.678020 2.448373 0.000000 2.385746 5.040475 7.282858 7.370737 3.720776 1.411375 4.265947 4.259576 5.580814 4.546598 2.444145 4.823326 2.848146 1.394598 0.000000 2.892756 7.059087 9.514208 9.603022 5.961964 1.470759 2.478236 6.239697 7.592660 6.451815 4.773258 7.099648 5.093523 3.584551 2.453973 0.000000 4.196883 7.419497 9.407999 9.143593 5.127492 1.460666 2.486703 4.968196 6.051707 4.688376 4.266377 6.453602 5.124975 2.865837 2.455830 2.424681 0.000000 6.099473 2.413644 2.399553 2.378710 2.440976 6.526021 9.323198 3.740845 4.353250 4.794045 2.860132 1.369773 2.475511 4.269746 5.137734 7.414783 7.123641 0.000000 4.845797 1.244287 2.995520 3.734659 2.885009 5.744640 8.597531 4.334523 5.233367 5.287609 2.547395 2.433241 1.487834 3.831985 4.335262 6.531722 6.589034 1.458569 0.000000 3.823112 8.408786 10.915883 11.042125 7.303788 2.456977 1.510938 7.470312 8.731635 7.465453 6.135118 8.490169 6.473379 4.871911 3.735387 1.521321 2.901968 8.831127 7.924047 0.000000 4.915096 8.725237 10.822835 10.633836 6.618245 2.446409 1.509814 6.410433 7.385148 5.953902 5.737179 7.941297 6.500095 4.352388 3.735372 2.890472 1.524116 8.581900 7.974610 2.503199 0.000000 2.353995 2.781491 5.430660 6.133028 3.685573 3.715063 6.508037 4.889820 6.120609 5.548670 2.416503 4.138821 1.406531 2.788106 2.442924 4.343128 4.884345 3.770777 2.493097 5.641981 6.082687 0.000000 1.360318 4.151830 6.738562 7.240070 4.165702 2.444554 5.169576 5.075004 6.379871 5.524061 2.770987 4.963686 2.412981 2.397530 1.416196 3.043988 3.745849 4.888290 3.759807 4.285200 4.825190 1.370568 0.000000 7.504778 3.105926 1.255529 1.265151 3.783561 8.068939 10.865446 4.881972 5.164131 5.913329 4.393284 2.468370 3.955003 5.801073 6.677414 8.934074 8.652467 1.543981 2.671457 10.360814 10.113158 5.151547 6.355151 0.000000 5.699899 10.138931 12.473231 12.401765 8.447455 3.784730 1.023978 8.308366 9.372424 7.979993 7.453959 9.743038 8.041971 6.074042 5.195998 3.369630 3.375624 10.280740 9.527216 2.094114 2.091431 7.380076 6.023136 11.824493 0.000000 5.528449 9.545253 11.745880 11.475873 7.545855 3.274090 1.025638 7.309919 8.446772 7.160893 6.653564 8.847770 7.367438 5.268710 4.583560 2.743349 2.752231 9.473017 8.838406 2.091139 2.090674 6.873640 5.586302 11.000204 1.635534 0.000000 6.584340 6.070744 6.603806 5.327472 2.131688 5.152633 7.154229 1.087837 2.222773 2.227300 2.911855 3.071743 4.192861 3.052523 4.380321 6.044454 4.906495 4.320424 4.854446 7.292109 6.348418 5.229393 5.294978 5.444605 8.117602 6.951299 0.000000 8.590391 7.355493 7.025046 5.334015 3.432351 7.134049 9.003702 2.218310 1.084734 2.243898 4.648393 3.810724 5.835815 5.011002 6.391404 8.233286 6.646025 5.159212 6.131261 9.348730 7.938359 7.052719 7.269953 5.827517 9.879206 8.856790 2.493989 0.000000 7.969759 6.162935 5.679306 4.286087 2.747748 6.982058 9.218440 2.230547 1.084665 2.223037 3.992349 2.804535 4.930456 4.695795 6.028653 8.215139 6.742630 3.992879 5.003041 9.375124 8.072757 6.208765 6.645449 4.596472 10.093981 9.261574 3.113530 1.825808 0.000000 6.389769 6.214328 6.811975 6.044853 2.740043 5.006584 7.058455 2.224874 2.221753 1.085113 3.185889 3.689625 4.340836 3.208036 4.338653 6.383132 4.594401 4.738114 5.075609 7.329766 5.784093 5.220906 5.202375 5.890398 7.857233 7.239007 3.108777 3.122815 2.497182 0.000000 7.128010 7.420712 8.008250 6.877022 3.446302 5.174515 6.718867 2.230660 2.246106 1.085218 3.980680 4.536610 5.355766 3.633936 4.803316 6.371014 4.392130 5.788811 6.213027 7.250241 5.528531 6.199249 5.963675 6.936197 7.519046 6.660070 2.508606 2.564012 3.120390 1.830413 0.000000 7.345026 4.502261 3.805915 2.285802 2.078989 6.984090 9.539879 2.576844 2.679557 3.652771 3.336242 1.082273 3.813759 4.517195 5.757597 7.984816 7.171563 2.105246 3.410530 9.361203 8.656190 5.219216 6.007298 2.581378 10.506293 9.549893 3.161699 3.266752 2.334125 3.944963 4.602370 0.000000 4.523201 5.760612 7.257806 6.707343 2.667451 2.714758 4.916984 2.494183 3.760617 2.657619 2.152607 4.022952 3.418060 1.079894 2.145805 3.841035 2.537121 4.881677 4.696030 4.990510 4.038122 3.867638 3.385679 6.356312 5.871120 4.948803 2.526443 4.431110 4.447163 2.820704 2.761033 4.666416 0.000000 2.180070 6.567441 9.191315 9.499370 6.138437 2.106241 3.406657 6.644505 8.046325 7.003862 4.847557 7.137948 4.862009 3.883424 2.615655 1.088112 3.365883 7.252971 6.214614 2.120956 3.866409 3.891458 2.659116 8.730117 4.182550 3.726318 6.498879 8.748796 8.578019 6.880912 7.065265 8.093075 4.390584 0.000000 3.692922 7.332820 9.647236 9.540395 5.934450 2.131351 2.778208 6.081231 7.473523 6.428089 4.881373 7.075708 5.332955 3.712431 2.887484 1.102363 2.713071 7.484526 6.729015 2.163039 3.315027 4.769782 3.618049 8.977443 3.716297 2.619432 5.699186 7.998275 8.191599 6.544308 6.270644 7.886355 3.805396 1.769877 0.000000 4.846340 7.705396 9.541302 9.055800 5.051596 2.141145 2.798287 4.690299 5.805995 4.542201 4.366394 6.394991 5.372396 2.993270 2.902326 2.739291 1.103276 7.185494 6.794138 3.347256 2.163370 5.301941 4.266783 8.686213 3.730726 2.642375 4.403491 6.252166 6.625829 4.706055 4.108805 7.018017 2.401460 3.732563 2.563646 0.000000 4.549605 7.229669 9.012545 8.697802 4.676938 2.096380 3.411008 4.442254 5.352049 3.908606 3.963750 6.002984 4.929847 2.677439 2.627188 3.368668 1.091879 6.744603 6.329470 3.872871 2.119321 4.881354 3.915223 8.240058 4.181008 3.737315 4.575905 6.000640 5.979155 3.679592 3.644558 6.667671 2.241313 4.186376 3.715346 1.771693 0.000000 4.430158 9.052151 11.619447 11.762218 8.117153 3.412746 2.113606 8.292708 9.602273 8.386154 6.945986 9.270405 7.217749 5.725247 4.590335 2.174253 3.870066 9.570969 8.631413 1.090151 3.424217 6.330904 5.016780 11.081073 2.420107 2.367402 8.019291 10.174154 10.278604 8.317859 8.146713 10.141633 5.850955 2.505090 2.473801 4.126146 4.892163 0.000000 3.604011 8.410913 10.995689 11.295221 7.614050 2.738492 2.100018 7.884869 9.093349 7.784801 6.381964 8.761801 6.590335 5.183919 3.942271 2.171165 3.305505 9.011176 8.015809 1.090839 2.751247 5.639174 4.282485 10.531403 2.366171 2.951919 7.845229 9.794262 9.644455 7.498623 7.642012 9.678108 5.415708 2.461940 3.078459 4.013936 4.086123 1.784987 0.000000 4.763484 8.732002 10.900980 10.888524 6.946212 2.727549 2.098092 6.869418 7.784262 6.320812 5.992582 8.220613 6.616187 4.689025 3.941175 3.294420 2.171235 8.761930 8.065883 2.749665 1.090298 6.086708 4.830818 10.282773 2.363058 2.950648 6.959633 8.432396 8.359463 5.966113 6.000249 8.984754 4.535483 4.085057 3.986230 3.076617 2.449063 3.728622 2.547008 0.000000 5.972787 9.543277 11.473132 11.112944 7.061045 3.400705 2.112491 6.637100 7.465467 6.019466 6.349596 8.414094 7.258957 4.973168 4.591205 3.858963 2.174291 9.182968 8.710319 3.424393 1.090007 6.984171 5.783364 10.690585 2.415593 2.367930 6.533630 7.908246 8.213303 5.925526 5.421038 9.028752 4.448372 4.884226 4.091925 2.462754 2.503522 4.209651 3.729547 1.783800 0.000000 2.597739 2.439330 5.321198 6.392114 4.554178 4.581730 7.270302 5.849047 7.023768 6.541148 3.395995 4.767491 2.148051 3.871856 3.424471 5.040661 5.841851 4.105904 2.668656 6.259439 6.942624 1.083765 2.137634 5.289016 8.092388 7.683045 6.210069 7.969243 7.010089 6.166194 7.240082 5.839301 4.951395 4.402104 5.518831 6.305214 5.872128 6.865174 6.156714 6.860952 7.893394 0.000000 C17H18FN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0984,-2.7781,-.4353;2.8701,-2.7072,-.248;5.5542,-1.5592,-.314;5.6355,.4917,.622;1.6668,1.2133,.2151;-3.027,-.2008,-.076;-5.7843,.5044,.2526;1.2786,2.5942,.4361;2.066,3.6989,-.2137;.6714,3.3915,-.6935;.7014,.2173,.0679;2.9847,.8596,.2633;1.1314,-1.1169,-.0918;-.6747,.5241,.1074;-1.6417,-.4689,-.0467;-3.8598,-.9147,.9038;-3.4421,1.1921,-.2214;3.4935,-.4017,.1005;2.5665,-1.5093,-.1025;-5.3152,-.9167,.461;-4.8879,1.2602,-.6987;.1524,-2.1148,-.2473;-1.1799,-1.7934,-.2417;5.0329,-.5128,.144;-6.7451,.5061,-.1016;-5.8171,.9911,1.1548;.8941,2.7802,1.4366;2.2359,4.5944,.3744;2.8874,3.4246,-.8668;.5774,2.8951,-1.6539;-.1359,4.0744,-.4494;3.6826,1.6663,.4465;-.9791,1.5467,.2737;-3.5374,-1.9513,.9783;-3.7701,-.4612,1.9046;-3.3296,1.7661,.7141;-2.83,1.6788,-.9834;-5.9633,-1.3711,1.2106;-5.4393,-1.4276,-.4948;-5.004,.7875,-1.6743;-5.246,2.2888,-.7418;.4737,-3.1397,-.3918; 0.4638088 0.1288703 0.1034623 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2143,2.7904,.3474;2.7535,2.6367,.1985;5.4186,1.4491,.3153;5.474,-.6276,-.5638;1.4915,-1.2757,-.1666;-3.1812,.219,.0515;-5.9469,-.4516,-.2779;1.0831,-2.6559,-.3528;1.8484,-3.7545,.3325;.4556,-3.4124,.7936;.541,-.2611,-.0536;2.8152,-.9441,-.2148;.991,1.0702,.0729;-.8394,-.5472,-.0949;-1.7916,.4646,.025;-3.9957,.9189,-.9534;-3.6192,-1.1627,.2316;3.3428,.3131,-.0826;2.4321,1.4402,.0834;-5.454,.9557,-.5215;-5.0692,-1.195,.7;.0269,2.0871,.1939;-1.3103,1.7866,.1874;4.884,.3989,-.1178;-6.91,-.4286,.0691;-5.9812,-.9622,-1.1668;.7027,-2.8631,-1.3507;2.0081,-4.6684,-.2297;2.6695,-3.4754,.984;.3628,-2.8885,1.7393;-.3607,-4.089,.5622;3.5015,-1.7663,-.3707;-1.1588,-1.5692,-.2355;-3.6565,1.9479,-1.0537;-3.9064,.4369,-1.9408;-3.5094,-1.7637,-.687;-3.0201,-1.6378,1.0111;-6.0896,1.3996,-1.2879;-5.5765,1.4944,.4192;-5.1845,-.6942,1.6616;-5.4438,-2.2164,.7685;.3634,3.1104,.3129; 0.000000 4.972481 0.000000 7.749939 2.920040 0.000000 8.463019 4.317124 2.255769 0.000000 5.525437 4.127114 4.804011 4.054336 0.000000 2.762978 6.409967 8.691288 8.718191 4.910796 0.000000 4.983344 9.244629 11.538624 11.425846 7.484807 2.864920 0.000000 6.405074 5.577296 6.007818 4.841323 1.451358 5.158738 7.367889 0.000000 7.703371 6.456437 6.310637 4.870919 2.553664 6.415999 8.488210 1.504154 0.000000 6.767671 6.498215 6.963797 5.897649 2.561397 5.192645 7.134856 1.510100 1.506577 0.000000 4.130870 3.654596 5.181835 4.972783 1.394877 3.754504 6.494637 2.473561 3.750026 3.264329 0.000000 6.289561 3.605135 3.575749 2.700193 1.365427 6.113947 8.776206 2.439160 3.022038 3.560503 2.380001 0.000000 3.648123 2.361426 4.450349 4.835748 2.410588 4.258189 7.111564 3.751430 4.907173 4.571594 1.410929 2.732703 0.000000 3.636716 4.809652 6.581465 6.331241 2.443133 2.468325 5.111740 2.865102 4.206396 3.267321 1.410351 3.678019 2.448373 0.000000 2.385745 5.040470 7.282856 7.370741 3.720776 1.411373 4.265941 4.259576 5.580801 4.546570 2.444144 4.823324 2.848144 1.394598 0.000000 2.892743 7.059081 9.514217 9.603057 5.961978 1.470757 2.478236 6.239714 7.592661 6.451792 4.773265 7.099664 5.093526 3.584557 2.453973 0.000000 4.196881 7.419487 9.407989 9.143579 5.127479 1.460663 2.486701 4.968180 6.051673 4.688328 4.266365 6.453587 5.124966 2.865826 2.455824 2.424682 0.000000 6.099473 2.413645 2.399557 2.378712 2.440977 6.526017 9.323194 3.740848 4.353260 4.794050 2.860132 1.369773 2.475511 4.269746 5.137732 7.414796 7.123629 0.000000 4.845798 1.244286 2.995520 3.734664 2.885011 5.744636 8.597525 4.334526 5.233375 5.287613 2.547396 2.433241 1.487834 3.831985 4.335261 6.531726 6.589026 1.458569 0.000000 3.823100 8.408777 10.915881 11.042145 7.303791 2.456974 1.510938 7.470317 8.731619 7.465415 6.135117 8.490173 6.473376 4.871910 3.735383 1.521320 2.901968 8.831130 7.924045 0.000000 4.915091 8.725223 10.822815 10.633811 6.618225 2.446405 1.509815 6.410410 7.385098 5.953840 5.737163 7.941274 6.500082 4.352373 3.735363 2.890473 1.524115 8.581880 7.974596 2.503201 0.000000 2.353996 2.781487 5.430657 6.133037 3.685575 3.715061 6.508030 4.889822 6.120604 5.548656 2.416504 4.138821 1.406531 2.788107 2.442923 4.343126 4.884340 3.770777 2.493096 5.641976 6.082677 0.000000 1.360319 4.151826 6.738558 7.240078 4.165702 2.444553 5.169569 5.075004 6.379860 5.524036 2.770986 4.963684 2.412980 2.397530 1.416195 3.043984 3.745845 4.888289 3.759807 4.285193 4.825181 1.370568 0.000000 7.504781 3.105932 1.255530 1.265151 3.783561 8.068937 10.865445 4.881975 5.164140 5.913333 4.393285 2.468371 3.955005 5.801074 6.677415 8.934094 8.652455 1.543983 2.671459 10.360822 10.113136 5.151549 6.355152 0.000000 5.699891 10.138920 12.473221 12.401765 8.447448 3.784727 1.023978 8.308358 9.372390 7.979940 7.453952 9.743030 8.041964 6.074035 5.195993 3.369629 3.375623 10.280733 9.527209 2.094114 2.091433 7.380069 6.023129 11.824488 0.000000 5.528435 9.545243 11.745883 11.475896 7.545860 3.274081 1.025637 7.309927 8.446761 7.160860 6.653563 8.847778 7.367434 5.268707 4.583554 2.743346 2.752225 9.473022 8.838404 2.091138 2.090674 6.873633 5.586293 11.000216 1.635534 0.000000 6.584358 6.070738 6.603807 5.327472 2.131687 5.152649 7.154255 1.087837 2.222774 2.227301 2.911860 3.071741 4.192864 3.052536 4.380337 6.044496 4.906502 4.320422 4.854444 7.292144 6.348422 5.229402 5.294993 5.444604 8.117625 6.951336 0.000000 8.590383 7.355504 7.025070 5.334015 3.432354 7.134032 9.003683 2.218309 1.084734 2.243895 4.648393 3.810735 5.835818 5.010995 6.391395 8.233296 6.645994 5.159224 6.131271 9.348724 7.938313 7.052719 7.269947 5.827531 9.879179 8.856789 2.493989 0.000000 7.969741 6.162955 5.679336 4.286076 2.747753 6.982029 9.218404 2.230548 1.084665 2.223038 3.992348 2.804549 4.930459 4.695784 6.028635 8.215133 6.742590 3.992896 5.003056 9.375098 8.072697 6.208760 6.645434 4.596485 10.093935 9.261555 3.113532 1.825808 0.000000 6.389717 6.214333 6.811993 6.044836 2.740038 5.006519 7.058377 2.224871 2.221753 1.085113 3.185869 3.689625 4.340819 3.207997 4.338602 6.383078 4.594331 4.738117 5.075610 7.329693 5.784003 5.220875 5.202328 5.890399 7.857148 7.238943 3.108775 3.122815 2.497185 0.000000 7.127986 7.420717 8.008266 6.877013 3.446303 5.174480 6.718824 2.230660 2.246105 1.085218 3.980673 4.536613 5.355761 3.633919 4.803293 6.370993 4.392085 5.788815 6.213031 7.250206 5.528472 6.199237 5.963655 6.936201 7.518997 6.660039 2.508608 2.564006 3.120389 1.830414 0.000000 7.345028 4.502259 3.805915 2.285785 2.078991 6.984089 9.539883 2.576852 2.679572 3.652781 3.336243 1.082273 3.813759 4.517199 5.757599 7.984842 7.171552 2.105242 3.410527 9.361215 8.656170 5.219217 6.007299 2.581371 10.506291 9.549912 3.161706 3.266772 2.334141 3.944969 4.602380 0.000000 4.523201 5.760611 7.257812 6.707346 2.667454 2.714752 4.916978 2.494185 3.760606 2.657594 2.152608 4.022954 3.418061 1.079895 2.145804 3.841044 2.537106 4.881680 4.696032 4.990510 4.038103 3.867640 3.385679 6.356316 5.871111 4.948802 2.526461 4.431102 4.447151 2.820662 2.761012 4.666424 0.000000 2.180049 6.567435 9.191326 9.499414 6.138455 2.106241 3.406656 6.644526 8.046331 7.003843 4.847567 7.137968 4.862014 3.883432 2.615656 1.088112 3.365883 7.252988 6.214620 2.120954 3.866408 3.891457 2.659112 8.730143 4.182549 3.726317 6.498925 8.748812 8.578018 6.880860 7.065248 8.093105 4.390595 0.000000 3.692905 7.332818 9.647261 9.540458 5.934484 2.131352 2.778212 6.081270 7.473553 6.428091 4.881394 7.075745 5.332967 3.712450 2.887491 1.102363 2.713077 7.484556 6.729028 2.163039 3.315033 4.769784 3.618048 8.977484 3.716299 2.619433 5.699251 7.998316 8.191623 6.544279 6.270647 7.886407 3.805422 1.769877 0.000000 4.846338 7.705394 9.541312 9.055816 5.051605 2.141144 2.798283 4.690309 5.805992 4.542183 4.366399 6.395000 5.372400 2.993276 2.902329 2.739293 1.103277 7.185502 6.794142 3.347255 2.163369 5.301943 4.266784 8.686225 3.730722 2.642367 4.403520 6.252166 6.625823 4.706018 4.108787 7.018035 2.401467 3.732566 2.563653 0.000000 4.549607 7.229652 9.012516 8.697752 4.676899 2.096379 3.411010 4.442208 5.351982 3.908532 3.963721 6.002942 4.929826 2.677412 2.627177 3.368668 1.091880 6.744569 6.329448 3.872873 2.119323 4.881343 3.915215 8.240020 4.181012 3.737311 4.575878 6.000574 5.979084 3.679501 3.644489 6.667629 2.241272 4.186374 3.715350 1.771692 0.000000 4.430143 9.052145 11.619457 11.762259 8.117168 3.412744 2.113607 8.292725 9.602271 8.386125 6.945993 9.270423 7.217751 5.725251 4.590334 2.174253 3.870066 9.570983 8.631417 1.090151 3.424219 6.330901 5.016776 11.081097 2.420106 2.367403 8.019339 10.174164 10.278592 8.317795 8.146686 10.141662 5.850962 2.505091 2.473801 4.126145 4.892165 0.000000 3.604002 8.410901 10.995674 11.295220 7.614042 2.738492 2.100018 7.884860 9.093314 7.784747 6.381955 8.761790 6.590326 5.183912 3.942265 2.171165 3.305506 9.011166 8.015799 1.090839 2.751248 5.639165 4.282477 10.531395 2.366172 2.951918 7.845251 9.794236 9.644408 7.498534 7.641964 9.678102 5.415700 2.461937 3.078460 4.013936 4.086126 1.784986 0.000000 4.763483 8.731984 10.900945 10.888477 6.946178 2.727547 2.098094 6.869379 7.784191 6.320732 5.992557 8.220574 6.616166 4.689005 3.941164 3.294421 2.171235 8.761896 8.065861 2.749667 1.090298 6.086695 4.830808 10.282734 2.363063 2.950648 6.959624 8.432329 8.359379 5.966004 6.000175 8.984713 4.535455 4.085056 3.986236 3.076617 2.449068 3.728624 2.547010 0.000000 5.972783 9.543263 11.473111 11.112914 7.061023 3.400701 2.112493 6.637073 7.465413 6.019401 6.349578 8.414068 7.258943 4.973153 4.591197 3.858964 2.174289 9.182946 8.710304 3.424395 1.090008 6.984162 5.783356 10.690560 2.415596 2.367931 6.533629 7.908194 8.213239 5.925439 5.420975 9.028729 4.448352 4.884226 4.091933 2.462752 2.503524 4.209653 3.729548 1.783799 0.000000 2.597740 2.439326 5.321193 6.392125 4.554180 4.581729 7.270294 5.849049 7.023765 6.541135 3.395997 4.767491 2.148052 3.871857 3.424471 5.040657 5.841847 4.105904 2.668657 6.259432 6.942616 1.083765 2.137634 5.289019 8.092381 7.683036 6.210078 7.969245 7.010086 6.166166 7.240072 5.839300 4.951397 4.402098 5.518828 6.305215 5.872120 6.865168 6.156706 6.860942 7.893386 0.000000 C17H18FN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0984,-2.7781,-.4353;2.8701,-2.7072,-.248;5.5541,-1.5592,-.314;5.6356,.4917,.6219;1.6668,1.2133,.2151;-3.027,-.2007,-.076;-5.7843,.5044,.2525;1.2786,2.5942,.4361;2.066,3.6989,-.2137;.6714,3.3915,-.6935;.7014,.2173,.0679;2.9847,.8596,.2633;1.1314,-1.1169,-.0918;-.6747,.5241,.1075;-1.6417,-.4689,-.0467;-3.8598,-.9147,.9038;-3.4421,1.1921,-.2214;3.4935,-.4017,.1005;2.5665,-1.5093,-.1025;-5.3152,-.9167,.4609;-4.8879,1.2602,-.6987;.1524,-2.1148,-.2473;-1.1799,-1.7934,-.2417;5.0329,-.5128,.144;-6.7451,.5061,-.1017;-5.8171,.9911,1.1547;.8942,2.7802,1.4366;2.2359,4.5944,.3744;2.8874,3.4246,-.8668;.5774,2.895,-1.6538;-.1359,4.0744,-.4494;3.6826,1.6663,.4464;-.9791,1.5467,.2737;-3.5374,-1.9513,.9782;-3.7701,-.4612,1.9046;-3.3297,1.7661,.7141;-2.8299,1.6788,-.9834;-5.9633,-1.3711,1.2105;-5.4392,-1.4276,-.4949;-5.0039,.7875,-1.6743;-5.246,2.2888,-.7418;.4737,-3.1397,-.3918; 0.4638099 0.1288705 0.1034623 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2143,2.7904,.3474;2.7535,2.6367,.1985;5.4186,1.4491,.3153;5.474,-.6276,-.5638;1.4915,-1.2757,-.1666;-3.1812,.219,.0515;-5.9469,-.4516,-.2779;1.0831,-2.6559,-.3528;1.8484,-3.7545,.3325;.4556,-3.4124,.7936;.541,-.2611,-.0536;2.8152,-.9441,-.2148;.991,1.0702,.0729;-.8394,-.5472,-.0949;-1.7916,.4646,.025;-3.9957,.9189,-.9534;-3.6192,-1.1627,.2316;3.3428,.3131,-.0826;2.4321,1.4402,.0834;-5.454,.9558,-.5215;-5.0692,-1.195,.7;.0269,2.0871,.1939;-1.3103,1.7866,.1874;4.884,.3989,-.1178;-6.91,-.4286,.0691;-5.9812,-.9622,-1.1668;.7027,-2.8631,-1.3507;2.0081,-4.6684,-.2297;2.6695,-3.4754,.984;.3628,-2.8885,1.7393;-.3607,-4.089,.5622;3.5015,-1.7663,-.3708;-1.1588,-1.5692,-.2355;-3.6565,1.9479,-1.0536;-3.9064,.4369,-1.9408;-3.5094,-1.7637,-.687;-3.0201,-1.6379,1.0111;-6.0896,1.3996,-1.2879;-5.5765,1.4944,.4192;-5.1845,-.6942,1.6616;-5.4438,-2.2164,.7685;.3634,3.1104,.3129; 0.000000 4.972480 0.000000 7.749942 2.920046 0.000000 8.463014 4.317122 2.255769 0.000000 5.525437 4.127114 4.804010 4.054335 0.000000 2.762979 6.409966 8.691290 8.718186 4.910795 0.000000 4.983340 9.244627 11.538626 11.425842 7.484811 2.864919 0.000000 6.405074 5.577296 6.007815 4.841323 1.451357 5.158736 7.367894 0.000000 7.703368 6.456435 6.310631 4.870927 2.553664 6.415998 8.488216 1.504153 0.000000 6.767665 6.498210 6.963792 5.897655 2.561396 5.192645 7.134864 1.510100 1.506577 0.000000 4.130870 3.654596 5.181835 4.972780 1.394877 3.754503 6.494639 2.473560 3.750024 3.264326 0.000000 6.289561 3.605135 3.575748 2.700193 1.365426 6.113946 8.776208 2.439160 3.022038 3.560503 2.380001 0.000000 3.648123 2.361425 4.450351 4.835745 2.410589 4.258189 7.111564 3.751430 4.907171 4.571589 1.410929 2.732703 0.000000 3.636717 4.809651 6.581466 6.331237 2.443133 2.468324 5.111743 2.865101 4.206395 3.267319 1.410351 3.678018 2.448373 0.000000 2.385746 5.040470 7.282858 7.370737 3.720776 1.411372 4.265941 4.259575 5.580800 4.546568 2.444144 4.823324 2.848145 1.394598 0.000000 2.892743 7.059076 9.514216 9.603046 5.961979 1.470756 2.478236 6.239716 7.592664 6.451796 4.773265 7.099662 5.093524 3.584559 2.453973 0.000000 4.196881 7.419489 9.407994 9.143580 5.127482 1.460663 2.486700 4.968182 6.051677 4.688333 4.266368 6.453590 5.124969 2.865829 2.455825 2.424682 0.000000 6.099472 2.413645 2.399557 2.378711 2.440976 6.526015 9.323194 3.740848 4.353260 4.794049 2.860132 1.369773 2.475510 4.269745 5.137732 7.414792 7.123632 0.000000 4.845798 1.244286 2.995523 3.734661 2.885011 5.744636 8.597525 4.334526 5.233373 5.287609 2.547396 2.433241 1.487834 3.831985 4.335261 6.531723 6.589029 1.458568 0.000000 3.823095 8.408771 10.915880 11.042136 7.303792 2.456973 1.510939 7.470319 8.731622 7.465418 6.135116 8.490171 6.473373 4.871911 3.735381 1.521320 2.901967 8.831126 7.924041 0.000000 4.915088 8.725223 10.822819 10.633812 6.618227 2.446405 1.509815 6.410411 7.385101 5.953844 5.737164 7.941277 6.500082 4.352375 3.735362 2.890473 1.524115 8.581882 7.974598 2.503201 0.000000 2.353996 2.781486 5.430660 6.133033 3.685575 3.715061 6.508029 4.889822 6.120601 5.548650 2.416504 4.138820 1.406530 2.788107 2.442924 4.343124 4.884341 3.770776 2.493096 5.641972 6.082676 0.000000 1.360320 4.151825 6.738561 7.240073 4.165702 2.444552 5.169566 5.075003 6.379856 5.524030 2.770986 4.963683 2.412979 2.397529 1.416194 3.043983 3.745845 4.888288 3.759806 4.285189 4.825179 1.370568 0.000000 7.504781 3.105933 1.255530 1.265151 3.783561 8.068936 10.865445 4.881975 5.164141 5.913334 4.393285 2.468371 3.955005 5.801074 6.677415 8.934089 8.652459 1.543984 2.671460 10.360818 10.113140 5.151549 6.355152 0.000000 5.699886 10.138917 12.473223 12.401762 8.447451 3.784727 1.023978 8.308363 9.372397 7.979947 7.453953 9.743032 8.041963 6.074038 5.195992 3.369630 3.375623 10.280733 9.527208 2.094115 2.091434 7.380066 6.023126 11.824489 0.000000 5.528433 9.545241 11.745886 11.475892 7.545866 3.274079 1.025637 7.309935 8.446772 7.160873 6.653567 8.847781 7.367436 5.268712 4.583555 2.743346 2.752224 9.473023 8.838405 2.091138 2.090673 6.873633 5.586293 11.000217 1.635534 0.000000 6.584361 6.070740 6.603806 5.327465 2.131686 5.152647 7.154259 1.087837 2.222773 2.227301 2.911861 3.071740 4.192868 3.052535 4.380338 6.044500 4.906500 4.320422 4.854446 7.292147 6.348421 5.229406 5.294995 5.444603 8.117629 6.951343 0.000000 8.590380 7.355503 7.025065 5.334022 3.432352 7.134028 9.003687 2.218307 1.084734 2.243895 4.648390 3.810735 5.835816 5.010992 6.391392 8.233297 6.645993 5.159224 6.131270 9.348725 7.938312 7.052716 7.269943 5.827532 9.879183 8.856797 2.493985 0.000000 7.969739 6.162953 5.679330 4.286090 2.747755 6.982032 9.218413 2.230549 1.084665 2.223040 3.992349 2.804551 4.930458 4.695786 6.028637 8.215138 6.742599 3.992897 5.003055 9.375103 8.072705 6.208757 6.645432 4.596488 10.093944 9.261569 3.113531 1.825808 0.000000 6.389706 6.214322 6.811983 6.044844 2.740035 5.006520 7.058388 2.224869 2.221753 1.085113 3.185863 3.689623 4.340809 3.207994 4.338598 6.383081 4.594341 4.738112 5.075601 7.329697 5.784012 5.220864 5.202318 5.890398 7.857158 7.238958 3.108774 3.122815 2.497187 0.000000 7.127980 7.420712 8.008261 6.877018 3.446302 5.174477 6.718832 2.230660 2.246105 1.085218 3.980670 4.536613 5.355756 3.633916 4.803289 6.370998 4.392088 5.788814 6.213027 7.250210 5.528474 6.199231 5.963648 6.936202 7.519004 6.660052 2.508609 2.564006 3.120390 1.830415 0.000000 7.345028 4.502259 3.805910 2.285785 2.078991 6.984088 9.539887 2.576853 2.679576 3.652785 3.336244 1.082274 3.813759 4.517198 5.757600 7.984841 7.171556 2.105242 3.410527 9.361214 8.656174 5.219217 6.007298 2.581369 10.506294 9.549917 3.161703 3.266775 2.334148 3.944972 4.602384 0.000000 4.523202 5.760611 7.257811 6.707342 2.667454 2.714752 4.916984 2.494184 3.760607 2.657596 2.152608 4.022952 3.418061 1.079895 2.145805 3.841047 2.537110 4.881678 4.696032 4.990513 4.038106 3.867640 3.385678 6.356314 5.871116 4.948809 2.526457 4.431099 4.447155 2.820668 2.761013 4.666424 0.000000 2.180050 6.567427 9.191323 9.499399 6.138453 2.106240 3.406657 6.644527 8.046331 7.003843 4.847565 7.137963 4.862010 3.883432 2.615655 1.088112 3.365882 7.252981 6.214614 2.120954 3.866409 3.891453 2.659110 8.730134 4.182549 3.726317 6.498928 8.748811 8.578019 6.880858 7.065249 8.093101 4.390596 0.000000 3.692908 7.332814 9.647261 9.540446 5.934488 2.131351 2.778214 6.081279 7.473562 6.428103 4.881397 7.075746 5.332968 3.712456 2.887494 1.102363 2.713077 7.484553 6.729027 2.163039 3.315035 4.769784 3.618050 8.977480 3.716301 2.619435 5.699260 7.998323 8.191633 6.544290 6.270660 7.886408 3.805428 1.769877 0.000000 4.846341 7.705398 9.541319 9.055817 5.051613 2.141143 2.798283 4.690318 5.806004 4.542198 4.366406 6.395007 5.372406 2.993283 2.902333 2.739293 1.103277 7.185507 6.794148 3.347255 2.163369 5.301948 4.266787 8.686230 3.730723 2.642366 4.403524 6.252173 6.625838 4.706037 4.108801 7.018042 2.401476 3.732566 2.563654 0.000000 4.549606 7.229656 9.012521 8.697756 4.676900 2.096378 3.411009 4.442204 5.351981 3.908531 3.963721 6.002944 4.929828 2.677411 2.627176 3.368668 1.091880 6.744572 6.329451 3.872872 2.119324 4.881345 3.915215 8.240025 4.181012 3.737310 4.575869 6.000567 5.979090 3.679509 3.644481 6.667632 2.241271 4.186373 3.715350 1.771691 0.000000 4.430139 9.052138 11.619455 11.762247 8.117169 3.412743 2.113607 8.292729 9.602277 8.386131 6.945993 9.270421 7.217749 5.725253 4.590333 2.174253 3.870065 9.570979 8.631413 1.090151 3.424218 6.330898 5.016773 11.081091 2.420105 2.367402 8.019345 10.174168 10.278599 8.317800 8.146693 10.141661 5.850966 2.505092 2.473801 4.126145 4.892164 0.000000 3.603995 8.410894 10.995673 11.295213 7.614041 2.738493 2.100018 7.884860 9.093314 7.784747 6.381953 8.761788 6.590322 5.183912 3.942263 2.171166 3.305507 9.011162 8.015795 1.090839 2.751249 5.639160 4.282472 10.531391 2.366172 2.951918 7.845252 9.794234 9.644410 7.498534 7.641963 9.678101 5.415702 2.461937 3.078460 4.013937 4.086128 1.784985 0.000000 4.763479 8.731985 10.900949 10.888480 6.946178 2.727549 2.098094 6.869377 7.784189 6.320730 5.992556 8.220575 6.616166 4.689004 3.941163 3.294423 2.171236 8.761897 8.065862 2.749669 1.090298 6.086694 4.830806 10.282738 2.363063 2.950647 6.959620 8.432323 8.359383 5.966007 6.000169 8.984716 4.535456 4.085058 3.986239 3.076618 2.449069 3.728625 2.547013 0.000000 5.972780 9.543265 11.473117 11.112918 7.061027 3.400701 2.112492 6.637076 7.465419 6.019409 6.349581 8.414073 7.258945 4.973155 4.591197 3.858964 2.174289 9.182950 8.710308 3.424395 1.090008 6.984162 5.783355 10.690566 2.415596 2.367929 6.533628 7.908195 8.213251 5.925454 5.420981 9.028735 4.448356 4.884227 4.091934 2.462751 2.503524 4.209653 3.729549 1.783799 0.000000 2.597739 2.439326 5.321198 6.392122 4.554181 4.581728 7.270291 5.849049 7.023762 6.541129 3.395997 4.767491 2.148052 3.871857 3.424471 5.040654 5.841848 4.105904 2.668657 6.259426 6.942614 1.083765 2.137633 5.289020 8.092376 7.683034 6.210083 7.969242 7.010083 6.166153 7.240065 5.839301 4.951397 4.402092 5.518826 6.305219 5.872122 6.865163 6.156698 6.860940 7.893386 0.000000 C17H18FN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0984,-2.7781,-.4354;2.8701,-2.7072,-.248;5.5542,-1.5592,-.314;5.6356,.4917,.6219;1.6668,1.2133,.2151;-3.027,-.2007,-.076;-5.7843,.5044,.2525;1.2786,2.5942,.4361;2.066,3.6989,-.2137;.6714,3.3915,-.6935;.7014,.2173,.0679;2.9847,.8596,.2633;1.1314,-1.1169,-.0918;-.6747,.5241,.1075;-1.6417,-.4689,-.0467;-3.8598,-.9147,.9038;-3.4421,1.1921,-.2213;3.4935,-.4017,.1005;2.5665,-1.5093,-.1025;-5.3152,-.9167,.4609;-4.8879,1.2602,-.6987;.1524,-2.1148,-.2473;-1.1799,-1.7934,-.2417;5.0329,-.5128,.144;-6.7451,.5061,-.1017;-5.8171,.9911,1.1548;.8942,2.7802,1.4366;2.2359,4.5944,.3744;2.8874,3.4246,-.8668;.5774,2.895,-1.6538;-.1359,4.0744,-.4494;3.6826,1.6663,.4464;-.9791,1.5467,.2737;-3.5374,-1.9513,.9782;-3.7701,-.4612,1.9046;-3.3297,1.7661,.7141;-2.8299,1.6788,-.9834;-5.9633,-1.3711,1.2105;-5.4392,-1.4276,-.4949;-5.0039,.7875,-1.6743;-5.246,2.2888,-.7418;.4737,-3.1397,-.3918; 0.4638099 0.1288705 0.1034623 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2143,2.7904,.3474;2.7535,2.6367,.1985;5.4186,1.4491,.3153;5.474,-.6276,-.5638;1.4915,-1.2757,-.1666;-3.1812,.219,.0515;-5.9469,-.4516,-.2779;1.0831,-2.6559,-.3528;1.8484,-3.7545,.3325;.4556,-3.4124,.7936;.541,-.2611,-.0536;2.8152,-.9441,-.2148;.991,1.0702,.0729;-.8394,-.5472,-.0949;-1.7916,.4646,.025;-3.9957,.9189,-.9534;-3.6192,-1.1627,.2316;3.3428,.3131,-.0826;2.4321,1.4402,.0834;-5.454,.9558,-.5215;-5.0692,-1.195,.7;.0269,2.0871,.1939;-1.3103,1.7866,.1874;4.884,.3989,-.1178;-6.91,-.4286,.0691;-5.9812,-.9622,-1.1668;.7027,-2.8631,-1.3507;2.0081,-4.6684,-.2297;2.6695,-3.4754,.984;.3628,-2.8885,1.7393;-.3607,-4.089,.5622;3.5015,-1.7663,-.3707;-1.1588,-1.5692,-.2355;-3.6565,1.9479,-1.0536;-3.9064,.4369,-1.9408;-3.5094,-1.7637,-.687;-3.0201,-1.6379,1.0111;-6.0896,1.3996,-1.2879;-5.5765,1.4944,.4192;-5.1844,-.6942,1.6616;-5.4438,-2.2164,.7685;.3634,3.1104,.3129; 0.000000 4.972481 0.000000 7.749940 2.920041 0.000000 8.463018 4.317126 2.255768 0.000000 5.525437 4.127114 4.804012 4.054333 0.000000 2.762980 6.409967 8.691290 8.718187 4.910795 0.000000 4.983339 9.244627 11.538627 11.425846 7.484812 2.864920 0.000000 6.405073 5.577295 6.007818 4.841320 1.451357 5.158735 7.367895 0.000000 7.703368 6.456437 6.310639 4.870917 2.553664 6.415997 8.488217 1.504153 0.000000 6.767666 6.498212 6.963799 5.897646 2.561396 5.192644 7.134865 1.510100 1.506577 0.000000 4.130870 3.654596 5.181836 4.972781 1.394877 3.754502 6.494640 2.473560 3.750025 3.264327 0.000000 6.289561 3.605135 3.575750 2.700191 1.365426 6.113945 8.776209 2.439159 3.022038 3.560502 2.380001 0.000000 3.648123 2.361426 4.450351 4.835747 2.410588 4.258189 7.111564 3.751429 4.907172 4.571590 1.410929 2.732702 0.000000 3.636717 4.809651 6.581466 6.331237 2.443132 2.468324 5.111744 2.865100 4.206395 3.267319 1.410350 3.678018 2.448373 0.000000 2.385746 5.040470 7.282859 7.370739 3.720776 1.411371 4.265941 4.259574 5.580800 4.546568 2.444144 4.823324 2.848145 1.394599 0.000000 2.892741 7.059077 9.514216 9.603055 5.961981 1.470756 2.478236 6.239718 7.592666 6.451798 4.773267 7.099665 5.093526 3.584561 2.453974 0.000000 4.196882 7.419491 9.407996 9.143579 5.127482 1.460663 2.486701 4.968181 6.051676 4.688333 4.266368 6.453589 5.124969 2.865829 2.455825 2.424681 0.000000 6.099472 2.413646 2.399557 2.378711 2.440976 6.526015 9.323195 3.740847 4.353260 4.794049 2.860132 1.369774 2.475510 4.269745 5.137732 7.414795 7.123632 0.000000 4.845798 1.244286 2.995521 3.734664 2.885010 5.744636 8.597526 4.334525 5.233375 5.287611 2.547396 2.433241 1.487835 3.831985 4.335262 6.531725 6.589029 1.458568 0.000000 3.823093 8.408771 10.915879 11.042141 7.303793 2.456974 1.510939 7.470320 8.731622 7.465419 6.135117 8.490173 6.473373 4.871912 3.735381 1.521320 2.901968 8.831127 7.924042 0.000000 4.915089 8.725223 10.822820 10.633810 6.618226 2.446405 1.509815 6.410409 7.385099 5.953842 5.737163 7.941275 6.500082 4.352374 3.735362 2.890473 1.524115 8.581881 7.974598 2.503201 0.000000 2.353996 2.781487 5.430658 6.133037 3.685574 3.715061 6.508028 4.889821 6.120602 5.548651 2.416503 4.138820 1.406530 2.788107 2.442924 4.343125 4.884342 3.770776 2.493096 5.641971 6.082676 0.000000 1.360320 4.151825 6.738560 7.240077 4.165701 2.444553 5.169566 5.075002 6.379857 5.524031 2.770985 4.963683 2.412979 2.397529 1.416194 3.043983 3.745845 4.888288 3.759807 4.285188 4.825179 1.370568 0.000000 7.504782 3.105934 1.255529 1.265151 3.783561 8.068936 10.865447 4.881975 5.164141 5.913333 4.393286 2.468371 3.955005 5.801074 6.677416 8.934093 8.652459 1.543984 2.671460 10.360820 10.113139 5.151550 6.355153 0.000000 5.699884 10.138917 12.473223 12.401764 8.447452 3.784727 1.023978 8.308363 9.372396 7.979947 7.453953 9.743032 8.041963 6.074038 5.195991 3.369630 3.375623 10.280733 9.527208 2.094114 2.091434 7.380066 6.023125 11.824489 0.000000 5.528432 9.545243 11.745888 11.475900 7.545871 3.274080 1.025637 7.309939 8.446776 7.160877 6.653570 8.847786 7.367438 5.268716 4.583556 2.743346 2.752225 9.473028 8.838408 2.091138 2.090672 6.873634 5.586293 11.000221 1.635534 0.000000 6.584359 6.070739 6.603806 5.327467 2.131686 5.152644 7.154261 1.087837 2.222773 2.227301 2.911859 3.071741 4.192865 3.052533 4.380336 6.044501 4.906497 4.320422 4.854445 7.292148 6.348418 5.229403 5.294992 5.444603 8.117630 6.951348 0.000000 8.590379 7.355504 7.025073 5.334014 3.432352 7.134025 9.003687 2.218306 1.084734 2.243894 4.648390 3.810735 5.835816 5.010991 6.391391 8.233297 6.645991 5.159225 6.131270 9.348724 7.938309 7.052715 7.269942 5.827533 9.879182 8.856800 2.493984 0.000000 7.969742 6.162958 5.679342 4.286074 2.747757 6.982033 9.218415 2.230550 1.084665 2.223040 3.992352 2.804552 4.930461 4.695787 6.028639 8.215142 6.742599 3.992899 5.003059 9.375105 8.072704 6.208761 6.645435 4.596489 10.093945 9.261573 3.113531 1.825808 0.000000 6.389709 6.214325 6.811992 6.044829 2.740035 5.006522 7.058390 2.224869 2.221752 1.085113 3.185865 3.689620 4.340812 3.207997 4.338601 6.383085 4.594344 4.738112 5.075603 7.329699 5.784013 5.220867 5.202321 5.890396 7.857159 7.238963 3.108774 3.122814 2.497186 0.000000 7.127979 7.420713 8.008268 6.877011 3.446302 5.174475 6.718831 2.230661 2.246106 1.085218 3.980670 4.536612 5.355757 3.633916 4.803288 6.370998 4.392086 5.788814 6.213028 7.250209 5.528471 6.199232 5.963648 6.936201 7.519002 6.660055 2.508610 2.564006 3.120391 1.830415 0.000000 7.345028 4.502258 3.805913 2.285780 2.078991 6.984087 9.539889 2.576854 2.679575 3.652783 3.336244 1.082274 3.813758 4.517198 5.757600 7.984844 7.171555 2.105241 3.410526 9.361217 8.656172 5.219216 6.007298 2.581368 10.506295 9.549923 3.161706 3.266775 2.334145 3.944967 4.602383 0.000000 4.523202 5.760611 7.257813 6.707341 2.667454 2.714751 4.916985 2.494183 3.760606 2.657596 2.152608 4.022952 3.418061 1.079895 2.145805 3.841049 2.537110 4.881678 4.696032 4.990515 4.038105 3.867640 3.385678 6.356314 5.871117 4.948813 2.526455 4.431096 4.447156 2.820670 2.761012 4.666423 0.000000 2.180048 6.567428 9.191321 9.499408 6.138455 2.106240 3.406656 6.644528 8.046332 7.003845 4.847566 7.137966 4.862011 3.883433 2.615655 1.088112 3.365882 7.252983 6.214616 2.120954 3.866409 3.891453 2.659109 8.730138 4.182549 3.726317 6.498928 8.748811 8.578023 6.880861 7.065249 8.093105 4.390598 0.000000 3.692908 7.332818 9.647263 9.540461 5.934495 2.131351 2.778213 6.081284 7.473567 6.428107 4.881402 7.075753 5.332973 3.712460 2.887496 1.102363 2.713076 7.484560 6.729032 2.163039 3.315034 4.769787 3.618051 8.977488 3.716300 2.619434 5.699265 7.998326 8.191640 6.544296 6.270663 7.886417 3.805433 1.769877 0.000000 4.846341 7.705401 9.541322 9.055821 5.051616 2.141143 2.798284 4.690321 5.806006 4.542201 4.366409 6.395010 5.372408 2.993286 2.902335 2.739293 1.103277 7.185510 6.794150 3.347255 2.163369 5.301949 4.266788 8.686233 3.730723 2.642367 4.403525 6.252173 6.625842 4.706043 4.108803 7.018046 2.401479 3.732566 2.563653 0.000000 4.549609 7.229657 9.012524 8.697750 4.676897 2.096378 3.411009 4.442200 5.351977 3.908528 3.963720 6.002940 4.929828 2.677409 2.627176 3.368667 1.091879 6.744570 6.329451 3.872872 2.119323 4.881346 3.915216 8.240023 4.181012 3.737310 4.575863 6.000561 5.979088 3.679510 3.644476 6.667628 2.241267 4.186374 3.715349 1.771691 0.000000 4.430137 9.052139 11.619454 11.762257 8.117172 3.412743 2.113607 8.292732 9.602279 8.386133 6.945995 9.270424 7.217750 5.725255 4.590333 2.174253 3.870065 9.570982 8.631415 1.090151 3.424219 6.330897 5.016772 11.081095 2.420105 2.367402 8.019348 10.174169 10.278602 8.317803 8.146694 10.141665 5.850969 2.505091 2.473800 4.126145 4.892164 0.000000 3.603993 8.410893 10.995670 11.295213 7.614039 2.738493 2.100018 7.884858 9.093312 7.784745 6.381951 8.761786 6.590320 5.183911 3.942261 2.171166 3.305507 9.011160 8.015793 1.090839 2.751250 5.639158 4.282470 10.531390 2.366171 2.951918 7.845251 9.794231 9.644410 7.498533 7.641960 9.678100 5.415702 2.461938 3.078460 4.013938 4.086128 1.784986 0.000000 4.763481 8.731984 10.900949 10.888472 6.946174 2.727550 2.098094 6.869372 7.784184 6.320724 5.992553 8.220569 6.616164 4.689002 3.941162 3.294423 2.171236 8.761894 8.065860 2.749670 1.090298 6.086693 4.830805 10.282734 2.363062 2.950647 6.959615 8.432317 8.359378 5.966003 6.000162 8.984710 4.535453 4.085059 3.986239 3.076618 2.449068 3.728626 2.547015 0.000000 5.972781 9.543266 11.473119 11.112915 7.061026 3.400701 2.112492 6.637074 7.465417 6.019408 6.349581 8.414071 7.258945 4.973155 4.591197 3.858964 2.174289 9.182950 8.710308 3.424395 1.090008 6.984163 5.783355 10.690565 2.415596 2.367929 6.533626 7.908192 8.213250 5.925454 5.420978 9.028734 4.448356 4.884227 4.091932 2.462751 2.503524 4.209652 3.729550 1.783799 0.000000 2.597739 2.439327 5.321196 6.392127 4.554180 4.581728 7.270290 5.849048 7.023763 6.541130 3.395996 4.767491 2.148052 3.871857 3.424471 5.040654 5.841848 4.105905 2.668658 6.259425 6.942614 1.083765 2.137633 5.289021 8.092375 7.683035 6.210080 7.969242 7.010087 6.166157 7.240066 5.839301 4.951397 4.402092 5.518828 6.305220 5.872123 6.865161 6.156696 6.860939 7.893386 0.000000 C17H18FN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0984,-2.7781,-.4354;2.8701,-2.7072,-.248;5.5542,-1.5592,-.314;5.6356,.4917,.6219;1.6668,1.2133,.2151;-3.027,-.2007,-.076;-5.7843,.5044,.2525;1.2786,2.5942,.4361;2.066,3.6989,-.2137;.6714,3.3915,-.6935;.7014,.2173,.0679;2.9847,.8596,.2633;1.1314,-1.1169,-.0918;-.6747,.5241,.1075;-1.6417,-.4689,-.0467;-3.8598,-.9147,.9038;-3.4421,1.1921,-.2213;3.4935,-.4017,.1005;2.5665,-1.5093,-.1025;-5.3152,-.9167,.4609;-4.8879,1.2602,-.6987;.1524,-2.1148,-.2473;-1.1799,-1.7934,-.2417;5.0329,-.5128,.144;-6.7451,.5061,-.1017;-5.8171,.9911,1.1548;.8942,2.7802,1.4366;2.2359,4.5944,.3744;2.8874,3.4246,-.8668;.5774,2.895,-1.6538;-.1359,4.0744,-.4494;3.6826,1.6663,.4464;-.9791,1.5467,.2737;-3.5374,-1.9513,.9782;-3.7701,-.4612,1.9046;-3.3297,1.7661,.7141;-2.8299,1.6788,-.9834;-5.9633,-1.3711,1.2105;-5.4392,-1.4276,-.4949;-5.0039,.7875,-1.6743;-5.246,2.2888,-.7418;.4737,-3.1397,-.3918; 0.4638100 0.1288705 0.1034623 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2143,2.7904,.3474;2.7535,2.6367,.1985;5.4186,1.4491,.3153;5.474,-.6276,-.5638;1.4915,-1.2757,-.1666;-3.1812,.219,.0515;-5.9469,-.4516,-.2779;1.0831,-2.6559,-.3528;1.8484,-3.7545,.3325;.4556,-3.4124,.7936;.541,-.2611,-.0536;2.8152,-.9441,-.2148;.991,1.0702,.0729;-.8394,-.5472,-.0949;-1.7916,.4646,.025;-3.9957,.9189,-.9534;-3.6192,-1.1627,.2316;3.3428,.3131,-.0826;2.4321,1.4402,.0834;-5.454,.9558,-.5215;-5.0692,-1.195,.7;.0269,2.0871,.1939;-1.3103,1.7866,.1874;4.884,.3989,-.1178;-6.91,-.4286,.0691;-5.9812,-.9622,-1.1668;.7027,-2.8631,-1.3507;2.0081,-4.6684,-.2297;2.6695,-3.4754,.984;.3628,-2.8885,1.7393;-.3607,-4.089,.5622;3.5015,-1.7663,-.3707;-1.1588,-1.5692,-.2355;-3.6565,1.9479,-1.0536;-3.9064,.4369,-1.9408;-3.5094,-1.7637,-.687;-3.0201,-1.6379,1.0111;-6.0896,1.3996,-1.2879;-5.5765,1.4944,.4192;-5.1844,-.6942,1.6616;-5.4438,-2.2164,.7685;.3634,3.1104,.3129; 0.000000 4.972481 0.000000 7.749940 2.920041 0.000000 8.463018 4.317126 2.255768 0.000000 5.525437 4.127114 4.804012 4.054333 0.000000 2.762980 6.409967 8.691290 8.718187 4.910795 0.000000 4.983339 9.244627 11.538627 11.425846 7.484812 2.864920 0.000000 6.405073 5.577295 6.007818 4.841320 1.451357 5.158735 7.367895 0.000000 7.703368 6.456437 6.310639 4.870917 2.553664 6.415997 8.488217 1.504153 0.000000 6.767666 6.498212 6.963799 5.897646 2.561396 5.192644 7.134865 1.510100 1.506577 0.000000 4.130870 3.654596 5.181836 4.972781 1.394877 3.754502 6.494640 2.473560 3.750025 3.264327 0.000000 6.289561 3.605135 3.575750 2.700191 1.365426 6.113945 8.776209 2.439159 3.022038 3.560502 2.380001 0.000000 3.648123 2.361426 4.450351 4.835747 2.410588 4.258189 7.111564 3.751429 4.907172 4.571590 1.410929 2.732702 0.000000 3.636717 4.809651 6.581466 6.331237 2.443132 2.468324 5.111744 2.865100 4.206395 3.267319 1.410350 3.678018 2.448373 0.000000 2.385746 5.040470 7.282859 7.370739 3.720776 1.411371 4.265941 4.259574 5.580800 4.546568 2.444144 4.823324 2.848145 1.394599 0.000000 2.892741 7.059077 9.514216 9.603055 5.961981 1.470756 2.478236 6.239718 7.592666 6.451798 4.773267 7.099665 5.093526 3.584561 2.453974 0.000000 4.196882 7.419491 9.407996 9.143579 5.127482 1.460663 2.486701 4.968181 6.051676 4.688333 4.266368 6.453589 5.124969 2.865829 2.455825 2.424681 0.000000 6.099472 2.413646 2.399557 2.378711 2.440976 6.526015 9.323195 3.740847 4.353260 4.794049 2.860132 1.369774 2.475510 4.269745 5.137732 7.414795 7.123632 0.000000 4.845798 1.244286 2.995521 3.734664 2.885010 5.744636 8.597526 4.334525 5.233375 5.287611 2.547396 2.433241 1.487835 3.831985 4.335262 6.531725 6.589029 1.458568 0.000000 3.823093 8.408771 10.915879 11.042141 7.303793 2.456974 1.510939 7.470320 8.731622 7.465419 6.135117 8.490173 6.473373 4.871912 3.735381 1.521320 2.901968 8.831127 7.924042 0.000000 4.915089 8.725223 10.822820 10.633810 6.618226 2.446405 1.509815 6.410409 7.385099 5.953842 5.737163 7.941275 6.500082 4.352374 3.735362 2.890473 1.524115 8.581881 7.974598 2.503201 0.000000 2.353996 2.781487 5.430658 6.133037 3.685574 3.715061 6.508028 4.889821 6.120602 5.548651 2.416503 4.138820 1.406530 2.788107 2.442924 4.343125 4.884342 3.770776 2.493096 5.641971 6.082676 0.000000 1.360320 4.151825 6.738560 7.240077 4.165701 2.444553 5.169566 5.075002 6.379857 5.524031 2.770985 4.963683 2.412979 2.397529 1.416194 3.043983 3.745845 4.888288 3.759807 4.285188 4.825179 1.370568 0.000000 7.504782 3.105934 1.255529 1.265151 3.783561 8.068936 10.865447 4.881975 5.164141 5.913333 4.393286 2.468371 3.955005 5.801074 6.677416 8.934093 8.652459 1.543984 2.671460 10.360820 10.113139 5.151550 6.355153 0.000000 5.699884 10.138917 12.473223 12.401764 8.447452 3.784727 1.023978 8.308363 9.372396 7.979947 7.453953 9.743032 8.041963 6.074038 5.195991 3.369630 3.375623 10.280733 9.527208 2.094114 2.091434 7.380066 6.023125 11.824489 0.000000 5.528432 9.545243 11.745888 11.475900 7.545871 3.274080 1.025637 7.309939 8.446776 7.160877 6.653570 8.847786 7.367438 5.268716 4.583556 2.743346 2.752225 9.473028 8.838408 2.091138 2.090672 6.873634 5.586293 11.000221 1.635534 0.000000 6.584359 6.070739 6.603806 5.327467 2.131686 5.152644 7.154261 1.087837 2.222773 2.227301 2.911859 3.071741 4.192865 3.052533 4.380336 6.044501 4.906497 4.320422 4.854445 7.292148 6.348418 5.229403 5.294992 5.444603 8.117630 6.951348 0.000000 8.590379 7.355504 7.025073 5.334014 3.432352 7.134025 9.003687 2.218306 1.084734 2.243894 4.648390 3.810735 5.835816 5.010991 6.391391 8.233297 6.645991 5.159225 6.131270 9.348724 7.938309 7.052715 7.269942 5.827533 9.879182 8.856800 2.493984 0.000000 7.969742 6.162958 5.679342 4.286074 2.747757 6.982033 9.218415 2.230550 1.084665 2.223040 3.992352 2.804552 4.930461 4.695787 6.028639 8.215142 6.742599 3.992899 5.003059 9.375105 8.072704 6.208761 6.645435 4.596489 10.093945 9.261573 3.113531 1.825808 0.000000 6.389709 6.214325 6.811992 6.044829 2.740035 5.006522 7.058390 2.224869 2.221752 1.085113 3.185865 3.689620 4.340812 3.207997 4.338601 6.383085 4.594344 4.738112 5.075603 7.329699 5.784013 5.220867 5.202321 5.890396 7.857159 7.238963 3.108774 3.122814 2.497186 0.000000 7.127979 7.420713 8.008268 6.877011 3.446302 5.174475 6.718831 2.230661 2.246106 1.085218 3.980670 4.536612 5.355757 3.633916 4.803288 6.370998 4.392086 5.788814 6.213028 7.250209 5.528471 6.199232 5.963648 6.936201 7.519002 6.660055 2.508610 2.564006 3.120391 1.830415 0.000000 7.345028 4.502258 3.805913 2.285780 2.078991 6.984087 9.539889 2.576854 2.679575 3.652783 3.336244 1.082274 3.813758 4.517198 5.757600 7.984844 7.171555 2.105241 3.410526 9.361217 8.656172 5.219216 6.007298 2.581368 10.506295 9.549923 3.161706 3.266775 2.334145 3.944967 4.602383 0.000000 4.523202 5.760611 7.257813 6.707341 2.667454 2.714751 4.916985 2.494183 3.760606 2.657596 2.152608 4.022952 3.418061 1.079895 2.145805 3.841049 2.537110 4.881678 4.696032 4.990515 4.038105 3.867640 3.385678 6.356314 5.871117 4.948813 2.526455 4.431096 4.447156 2.820670 2.761012 4.666423 0.000000 2.180048 6.567428 9.191321 9.499408 6.138455 2.106240 3.406656 6.644528 8.046332 7.003845 4.847566 7.137966 4.862011 3.883433 2.615655 1.088112 3.365882 7.252983 6.214616 2.120954 3.866409 3.891453 2.659109 8.730138 4.182549 3.726317 6.498928 8.748811 8.578023 6.880861 7.065249 8.093105 4.390598 0.000000 3.692908 7.332818 9.647263 9.540461 5.934495 2.131351 2.778213 6.081284 7.473567 6.428107 4.881402 7.075753 5.332973 3.712460 2.887496 1.102363 2.713076 7.484560 6.729032 2.163039 3.315034 4.769787 3.618051 8.977488 3.716300 2.619434 5.699265 7.998326 8.191640 6.544296 6.270663 7.886417 3.805433 1.769877 0.000000 4.846341 7.705401 9.541322 9.055821 5.051616 2.141143 2.798284 4.690321 5.806006 4.542201 4.366409 6.395010 5.372408 2.993286 2.902335 2.739293 1.103277 7.185510 6.794150 3.347255 2.163369 5.301949 4.266788 8.686233 3.730723 2.642367 4.403525 6.252173 6.625842 4.706043 4.108803 7.018046 2.401479 3.732566 2.563653 0.000000 4.549609 7.229657 9.012524 8.697750 4.676897 2.096378 3.411009 4.442200 5.351977 3.908528 3.963720 6.002940 4.929828 2.677409 2.627176 3.368667 1.091879 6.744570 6.329451 3.872872 2.119323 4.881346 3.915216 8.240023 4.181012 3.737310 4.575863 6.000561 5.979088 3.679510 3.644476 6.667628 2.241267 4.186374 3.715349 1.771691 0.000000 4.430137 9.052139 11.619454 11.762257 8.117172 3.412743 2.113607 8.292732 9.602279 8.386133 6.945995 9.270424 7.217750 5.725255 4.590333 2.174253 3.870065 9.570982 8.631415 1.090151 3.424219 6.330897 5.016772 11.081095 2.420105 2.367402 8.019348 10.174169 10.278602 8.317803 8.146694 10.141665 5.850969 2.505091 2.473800 4.126145 4.892164 0.000000 3.603993 8.410893 10.995670 11.295213 7.614039 2.738493 2.100018 7.884858 9.093312 7.784745 6.381951 8.761786 6.590320 5.183911 3.942261 2.171166 3.305507 9.011160 8.015793 1.090839 2.751250 5.639158 4.282470 10.531390 2.366171 2.951918 7.845251 9.794231 9.644410 7.498533 7.641960 9.678100 5.415702 2.461938 3.078460 4.013938 4.086128 1.784986 0.000000 4.763481 8.731984 10.900949 10.888472 6.946174 2.727550 2.098094 6.869372 7.784184 6.320724 5.992553 8.220569 6.616164 4.689002 3.941162 3.294423 2.171236 8.761894 8.065860 2.749670 1.090298 6.086693 4.830805 10.282734 2.363062 2.950647 6.959615 8.432317 8.359378 5.966003 6.000162 8.984710 4.535453 4.085059 3.986239 3.076618 2.449068 3.728626 2.547015 0.000000 5.972781 9.543266 11.473119 11.112915 7.061026 3.400701 2.112492 6.637074 7.465417 6.019408 6.349581 8.414071 7.258945 4.973155 4.591197 3.858964 2.174289 9.182950 8.710308 3.424395 1.090008 6.984163 5.783355 10.690565 2.415596 2.367929 6.533626 7.908192 8.213250 5.925454 5.420978 9.028734 4.448356 4.884227 4.091932 2.462751 2.503524 4.209652 3.729550 1.783799 0.000000 2.597739 2.439327 5.321196 6.392127 4.554180 4.581728 7.270290 5.849048 7.023763 6.541130 3.395996 4.767491 2.148052 3.871857 3.424471 5.040654 5.841848 4.105905 2.668658 6.259425 6.942614 1.083765 2.137633 5.289021 8.092375 7.683035 6.210080 7.969242 7.010087 6.166157 7.240066 5.839301 4.951397 4.402092 5.518828 6.305220 5.872123 6.865161 6.156696 6.860939 7.893386 0.000000 C17H18FN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0984,-2.7781,-.4354;2.8701,-2.7072,-.248;5.5542,-1.5592,-.314;5.6356,.4917,.6219;1.6668,1.2133,.2151;-3.027,-.2007,-.076;-5.7843,.5044,.2525;1.2786,2.5942,.4361;2.066,3.6989,-.2137;.6714,3.3915,-.6935;.7014,.2173,.0679;2.9847,.8596,.2633;1.1314,-1.1169,-.0918;-.6747,.5241,.1075;-1.6417,-.4689,-.0467;-3.8598,-.9147,.9038;-3.4421,1.1921,-.2213;3.4935,-.4017,.1005;2.5665,-1.5093,-.1025;-5.3152,-.9167,.4609;-4.8879,1.2602,-.6987;.1524,-2.1148,-.2473;-1.1799,-1.7934,-.2417;5.0329,-.5128,.144;-6.7451,.5061,-.1017;-5.8171,.9911,1.1548;.8942,2.7802,1.4366;2.2359,4.5944,.3744;2.8874,3.4246,-.8668;.5774,2.895,-1.6538;-.1359,4.0744,-.4494;3.6826,1.6663,.4464;-.9791,1.5467,.2737;-3.5374,-1.9513,.9782;-3.7701,-.4612,1.9046;-3.3297,1.7661,.7141;-2.8299,1.6788,-.9834;-5.9633,-1.3711,1.2105;-5.4392,-1.4276,-.4949;-5.0039,.7875,-1.6743;-5.246,2.2888,-.7418;.4737,-3.1397,-.3918; 0.4638100 0.1288705 0.1034623 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 9 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.009818774 0.006926369 0.001439385 -0.010270206 0.026989732 -0.000206033 -0.000680807 -0.057396927 -0.036569031 0.021638894 -0.036388406 -0.026503328 0.000811969 0.021860084 0.040477993 -0.014820426 0.013396247 0.020147767 0.018813713 0.008795624 0.006583277 0.008210810 0.049167308 -0.018867957 0.005297774 -0.001719270 -0.006223909 -0.004516922 -0.001970399 -0.004326879 0.009196615 -0.013276985 0.001622308 -0.013866627 -0.022470934 -0.003930445 0.019325546 -0.002748308 -0.002085027 0.003546329 -0.007290678 -0.001187089 -0.012106931 -0.020249667 -0.005812790 0.001421973 -0.018663940 0.024304083 -0.003092442 0.028059954 -0.018205076 -0.034263817 0.014626085 -0.004913939 0.013733317 -0.013424376 0.000582478 0.018097858 0.019601202 -0.010240809 0.023634162 -0.008709564 0.011906093 -0.016510492 0.001134378 -0.001532194 0.036370856 0.004392197 -0.000417883 0.016037210 0.106620899 0.074837091 -0.017345866 -0.013347112 -0.013033147 -0.021668039 -0.013158937 -0.011703256 -0.014662639 -0.052392845 -0.009207469 0.005666308 0.002878652 0.005669331 0.002499168 -0.006442548 -0.004412327 -0.004963691 -0.005198511 -0.003831562 -0.003181998 0.004670379 0.006436297 -0.009799890 -0.005226599 -0.002173380 0.001103189 0.007943697 -0.001119308 -0.001332761 -0.002801778 -0.016315640 0.004081289 0.011495255 -0.017798906 0.007865880 -0.020558580 0.006580886 0.002324855 -0.015059195 -0.005910666 -0.005711854 0.012817572 0.008074470 -0.011222830 0.009514022 -0.006500444 -0.007504867 -0.010822657 0.009366732 -0.003657240 0.003402545 0.015382382 0.001321406 -0.004973986 -0.000382078 0.106620899 0.019582456 4 -1148.40873209 PT46484.200S 2021-10-16T12:54:44.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 F O O O N N N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H -0.292265 -0.553055 -0.718451 -0.618169 -0.601503 -0.529538 -0.427251 0.057331 -0.244199 -0.242107 0.306337 0.085350 0.017639 -0.168672 0.239060 -0.065520 -0.054834 -0.018045 0.326388 -0.122068 -0.126832 -0.200715 0.315837 0.407297 0.390339 0.367945 0.147562 0.143008 0.146100 0.150157 0.144179 0.125322 0.131208 0.168880 0.136189 0.137605 0.172933 0.188477 0.185475 0.187004 0.190056 0.115547 -0.00000 -24.71521 -19.09560 -19.04801 -19.04763 -14.47915 -14.39805 -14.37211 -10.27467 -10.26661 -10.26550 -10.24909 -10.24874 -10.24597 -10.24540 -10.24372 -10.24085 -10.23966 -10.22683 -10.20236 -10.20008 -10.19859 -10.19851 -10.19685 -10.16858 -1.22355 -1.03433 -0.99901 -0.98780 -0.97970 -0.96429 -0.89271 -0.87192 -0.85307 -0.81381 -0.78733 -0.77651 -0.75140 -0.72838 -0.69329 -0.65785 -0.64689 -0.64363 -0.62687 -0.60915 -0.59553 -0.58347 -0.56917 -0.55172 -0.53942 -0.52859 -0.51336 -0.50928 -0.49898 -0.49646 -0.48726 -0.48313 -0.46956 -0.46440 -0.45054 -0.44761 -0.43186 -0.42842 -0.42265 -0.41660 -0.41434 -0.40558 -0.40250 -0.39648 -0.38932 -0.38140 -0.37575 -0.37126 -0.37007 -0.35971 -0.35569 -0.35214 -0.34221 -0.31247 -0.30546 -0.28873 -0.25843 -0.23455 -0.22453 -0.21019 -0.20657 -0.20011 -0.18825 -0.04060 -0.01464 0.01494 0.02949 0.06786 0.07450 0.08400 0.09134 0.09690 0.10183 0.10978 0.11379 0.11557 0.12569 0.12993 0.13350 0.14163 0.14246 0.14594 0.15276 0.15534 0.16084 0.17024 0.17464 0.18360 0.18870 0.19807 0.20591 0.21211 0.21458 0.22368 0.22818 0.23864 0.23981 0.24846 0.26287 0.28415 0.28581 0.29593 0.30197 0.32243 0.34611 0.36277 0.37308 0.38377 0.40569 0.44227 0.44555 0.46313 0.46700 0.48076 0.48344 0.49084 0.49809 0.50188 0.50328 0.51215 0.51820 0.52327 0.53425 0.54072 0.54784 0.55064 0.55511 0.56033 0.56808 0.57930 0.58376 0.59246 0.60197 0.60994 0.61975 0.62634 0.63050 0.63374 0.63786 0.64407 0.65639 0.66282 0.67344 0.68529 0.69253 0.69443 0.70797 0.71360 0.71699 0.72389 0.73863 0.74399 0.75426 0.75865 0.77510 0.78202 0.78879 0.79061 0.79560 0.80017 0.80437 0.81962 0.82372 0.83221 0.84201 0.84321 0.84636 0.85759 0.86068 0.86639 0.87150 0.88432 0.89327 0.90063 0.90571 0.91049 0.92028 0.92279 0.93280 0.94188 0.94831 0.95137 0.97067 0.97535 0.98558 1.01008 1.01291 1.02542 1.03221 1.04859 1.05522 1.07847 1.08870 1.10746 1.11582 1.12149 1.15145 1.16306 1.17269 1.18092 1.18629 1.19479 1.20658 1.21477 1.22762 1.23596 1.24833 1.26748 1.27065 1.28513 1.29217 1.30592 1.32365 1.33148 1.35523 1.36364 1.36571 1.38770 1.39340 1.39878 1.41487 1.41603 1.42838 1.43411 1.44626 1.47782 1.49150 1.49966 1.51307 1.53346 1.54579 1.55728 1.55944 1.58723 1.59957 1.61164 1.63738 1.63948 1.66818 1.68406 1.68925 1.71296 1.71796 1.72371 1.73121 1.73532 1.74260 1.74890 1.75772 1.76611 1.77421 1.78474 1.79844 1.80626 1.81528 1.82028 1.83226 1.83826 1.84776 1.84983 1.85407 1.85963 1.86614 1.87642 1.89169 1.90031 1.90352 1.91271 1.91535 1.92653 1.93529 1.93593 1.94478 1.96012 1.97020 1.97155 1.98696 1.99396 2.01665 2.02235 2.03733 2.04558 2.05240 2.06447 2.06778 2.07708 2.08945 2.09739 2.10180 2.11665 2.12305 2.13160 2.13414 2.14079 2.15457 2.16471 2.17022 2.18168 2.19253 2.20499 2.20787 2.21949 2.23678 2.24040 2.25633 2.27067 2.28246 2.28976 2.30260 2.30823 2.31270 2.31642 2.31943 2.32631 2.33628 2.34768 2.36344 2.38220 2.39232 2.40098 2.41184 2.41393 2.43234 2.44299 2.46156 2.46748 2.48016 2.49456 2.49799 2.50790 2.51708 2.52782 2.53851 2.54631 2.55141 2.56166 2.57954 2.60250 2.60509 2.61187 2.62684 2.62941 2.64336 2.66099 2.67035 2.68950 2.69904 2.70304 2.71933 2.72303 2.73218 2.75573 2.76200 2.77069 2.77832 2.78972 2.79939 2.81096 2.81492 2.82725 2.83232 2.84082 2.84439 2.86491 2.87140 2.89400 2.90156 2.91673 2.92109 2.93997 2.94906 2.96086 2.96553 2.99222 3.02467 3.04860 3.07147 3.10352 3.12194 3.13498 3.16368 3.19946 3.21332 3.24548 3.24661 3.26114 3.28252 3.30309 3.30989 3.33492 3.37048 3.38603 3.40742 3.44195 3.45493 3.45768 3.47615 3.48356 3.53548 3.57854 3.62133 3.70331 3.90726 4.00596 4.07107 4.12782 4.13153 4.14780 4.16651 4.21885 4.26535 4.34774 4.39075 4.39505 4.43067 4.46127 4.47804 4.50994 4.55969 4.61168 4.62722 4.64263 4.68247 4.73655 4.89761 5.68122 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 F O O O N N N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H -0.306137 -0.596134 -0.649679 -0.669114 -0.553326 -0.527864 -0.477737 0.028849 -0.247490 -0.223875 0.295829 0.099574 0.005762 -0.167206 0.246415 -0.071632 -0.055730 -0.094234 0.347172 -0.095195 -0.100043 -0.197353 0.331204 0.471105 0.381871 0.371152 0.147233 0.138159 0.141055 0.140102 0.135850 0.133826 0.130352 0.168261 0.138311 0.140067 0.167505 0.188159 0.189510 0.190737 0.188589 0.116097 -0.00000 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -55.0920 14.3981 1.8669 56.9729 -135.5424 -140.2124 -132.7113 17.6305 -11.4260 -4.9754 0.6130 -4.0570 3.4441 17.6305 -11.4260 -4.9754 -1867.5095 85.3416 -0.0519 -121.4675 209.6707 22.8058 -46.9065 -0.9553 15.5714 -10.9633 -8796.9049 -2653.0122 -294.1770 202.2806 -384.2319 196.7470 23.9634 -19.0653 10.1124 -2164.1467 -1525.4853 -487.2191 -125.7856 22.3628 -9.7312 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1148.4087321 1.742E-9 5.234E-6 -0.0764364,-2.8107646,2.887201,-12.8946825,8.7725868,-3.7738561 C01 [X(C17H18F1N3O3)] -21.7562315 -5.3429569 -0.7389877 0.000004938 0.000000712 0.000010551 0.000004544 -0.000006116 0.000006635 0.000003026 -0.000010078 0.000001331 -0.000000662 -0.000007636 -0.000004928 -0.000001295 -0.000003168 -0.000004013 0.000001102 0.000002890 0.000003434 -0.000000153 0.000007884 0.000003505 -0.000003369 -0.000001968 -0.000007849 -0.000004342 -0.000005081 -0.000011554 -0.000003690 -0.000004512 -0.000009744 0.000000195 -0.000001966 -0.000000381 -0.000000732 -0.000004859 -0.000004017 0.000002244 -0.000003092 0.000003241 -0.000000076 -0.000000064 -0.000000257 0.000001298 0.000001166 0.000003448 0.000001399 0.000007084 0.000006343 -0.000000805 0.000003118 -0.000000161 0.000001252 -0.000005915 -0.000000603 0.000002919 -0.000004947 0.000003329 0.000001673 0.000007904 0.000007355 -0.000000523 0.000003700 0.000000766 0.000003844 -0.000002040 0.000006906 0.000003393 -0.000000169 0.000006898 0.000001100 -0.000008056 -0.000001389 0.000000162 0.000008236 0.000004287 -0.000001479 0.000010552 0.000002061 -0.000004301 0.000001540 -0.000008182 -0.000006139 -0.000003624 -0.000014438 -0.000003585 -0.000008159 -0.000011342 -0.000002177 -0.000007061 -0.000008025 -0.000004770 -0.000002570 -0.000011012 -0.000002041 -0.000005407 -0.000006893 -0.000001697 0.000000929 -0.000003095 0.000002764 0.000006874 0.000009018 -0.000000019 0.000009864 0.000004743 -0.000002279 0.000005598 -0.000002019 -0.000000955 -0.000000128 -0.000001997 0.000001820 0.000011051 0.000009091 0.000003127 0.000005285 0.000009021 0.000000859 0.000001051 0.000002289 -0.000001942 0.000004067 -0.000002046 0.000005374 -0.000002891 0.000009694 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2143,2.7904,.3474;2.7535,2.6367,.1985;5.4186,1.4491,.3153;5.474,-.6276,-.5638;1.4915,-1.2757,-.1666;-3.1812,.219,.0515;-5.9469,-.4516,-.2779;1.0831,-2.6559,-.3528;1.8484,-3.7545,.3325;.4556,-3.4124,.7936;.541,-.2611,-.0536;2.8152,-.9441,-.2148;.991,1.0702,.0729;-.8394,-.5472,-.0949;-1.7916,.4646,.025;-3.9957,.9189,-.9534;-3.6192,-1.1627,.2316;3.3428,.3131,-.0826;2.4321,1.4402,.0834;-5.454,.9558,-.5215;-5.0692,-1.195,.7;.0269,2.0871,.1939;-1.3103,1.7866,.1874;4.884,.3989,-.1178;-6.91,-.4286,.0691;-5.9812,-.9622,-1.1668;.7027,-2.8631,-1.3507;2.0081,-4.6684,-.2297;2.6695,-3.4754,.984;.3628,-2.8885,1.7393;-.3607,-4.089,.5622;3.5015,-1.7663,-.3707;-1.1588,-1.5692,-.2355;-3.6565,1.9479,-1.0536;-3.9064,.4369,-1.9408;-3.5094,-1.7637,-.687;-3.0201,-1.6379,1.0111;-6.0896,1.3996,-1.2879;-5.5765,1.4944,.4192;-5.1844,-.6942,1.6616;-5.4438,-2.2164,.7685;.3634,3.1104,.3129; Gaussian 16 GINC-MILES GMALLOCI remark line goes here ES64L-G16RevA.03 120 C1[X(C17H18FN3O3)] RB3LYP 6-31G(d,p) Freq #N Geom=AllCheck Guess=TCheck SCRF=Check Test GenChk RB3LYP/6-31G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2143,2.7904,.3474;2.7535,2.6367,.1985;5.4186,1.4491,.3153;5.474,-.6276,-.5638;1.4915,-1.2757,-.1666;-3.1812,.219,.0515;-5.9469,-.4516,-.2779;1.0831,-2.6559,-.3528;1.8484,-3.7545,.3325;.4556,-3.4124,.7936;.541,-.2611,-.0536;2.8152,-.9441,-.2148;.991,1.0702,.0729;-.8394,-.5472,-.0949;-1.7916,.4646,.025;-3.9957,.9189,-.9534;-3.6192,-1.1627,.2316;3.3428,.3131,-.0826;2.4321,1.4402,.0834;-5.454,.9558,-.5215;-5.0692,-1.195,.7;.0269,2.0871,.1939;-1.3103,1.7866,.1874;4.884,.3989,-.1178;-6.91,-.4286,.0691;-5.9812,-.9622,-1.1668;.7027,-2.8631,-1.3507;2.0081,-4.6684,-.2297;2.6695,-3.4754,.984;.3628,-2.8885,1.7393;-.3607,-4.089,.5622;3.5015,-1.7663,-.3707;-1.1588,-1.5692,-.2355;-3.6565,1.9479,-1.0536;-3.9064,.4369,-1.9408;-3.5094,-1.7637,-.687;-3.0201,-1.6379,1.0111;-6.0896,1.3996,-1.2879;-5.5765,1.4944,.4192;-5.1844,-.6942,1.6616;-5.4438,-2.2164,.7685;.3634,3.1104,.3129; remark line goes here Redundant internal coordinates found in file. (old form). Charge = 0 Multiplicity = 1 Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 1 2 3 4 5 5 5 6 6 6 7 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 13 13 14 14 15 16 16 16 17 17 17 18 18 20 20 21 21 22 22 23 19 24 24 8 11 12 15 16 17 20 21 25 26 9 10 27 10 28 29 30 31 13 14 18 32 19 22 15 33 23 20 34 35 21 36 37 19 24 38 39 40 41 23 42 1.3603 1.2443 1.2555 1.2652 1.4514 1.3949 1.3654 1.4114 1.4708 1.4607 1.5109 1.5098 1.024 1.0256 1.5042 1.5101 1.0878 1.5066 1.0847 1.0847 1.0851 1.0852 1.4109 1.4104 1.3698 1.0823 1.4878 1.4065 1.3946 1.0799 1.4162 1.5213 1.0881 1.1024 1.5241 1.1033 1.0919 1.4586 1.544 1.0902 1.0908 1.0903 1.09 1.3706 1.0838 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 8 8 11 15 15 16 20 20 20 21 21 25 5 5 5 9 10 8 8 10 10 28 8 8 9 9 30 5 5 13 5 5 18 11 11 19 11 11 15 6 6 14 6 6 6 20 20 34 6 6 6 21 21 36 12 12 19 2 2 13 7 7 7 16 16 38 7 7 7 17 17 40 13 13 23 1 1 15 3 3 4 5 5 5 6 6 6 7 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 23 23 23 24 24 24 11 12 12 16 17 17 21 25 26 25 26 26 9 10 27 27 27 28 29 28 29 29 30 31 30 31 31 13 14 14 18 32 32 19 22 22 15 33 33 14 23 23 20 34 35 34 35 35 21 36 37 36 37 37 19 24 24 13 18 18 16 38 39 38 39 39 17 40 41 40 41 41 23 42 42 15 22 22 4 18 18 120.6873 119.9492 119.1307 116.7235 117.5274 111.6108 111.9243 109.9118 109.5669 109.7731 109.6104 105.8736 119.5347 119.732 113.4038 117.1798 117.1076 117.0057 118.0893 119.0813 117.2338 114.623 117.0849 117.5854 117.0898 119.2452 114.9977 118.4399 121.1308 120.4134 126.3606 115.8035 117.8358 122.9709 118.116 118.9131 121.2351 119.0366 119.7232 123.2037 119.6611 117.0709 110.3908 109.8941 111.0431 107.5815 110.0355 107.7978 110.0769 112.5065 109.5822 109.815 107.0595 107.6242 118.6685 115.6758 125.6548 119.3435 126.3226 114.3147 109.6285 107.5977 106.5179 111.6648 111.3737 109.8557 110.0947 106.4754 107.5952 111.2136 111.477 109.7984 120.6532 118.64 120.695 118.4532 119.0808 122.4654 126.9919 117.6237 115.3681 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 11 11 11 12 12 12 8 8 12 12 8 8 11 11 16 16 17 17 15 15 15 17 17 17 15 15 15 16 16 16 21 21 21 25 25 25 26 26 26 20 20 20 25 25 25 26 26 26 5 5 27 27 5 5 27 27 28 28 29 29 5 5 14 14 5 5 13 13 5 5 32 32 11 11 22 22 11 11 19 19 11 11 33 33 6 6 14 14 6 6 6 34 34 34 35 35 35 6 6 6 36 36 36 37 37 37 12 12 24 24 12 12 19 19 13 13 42 42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 9 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 22 22 22 22 8 8 8 8 8 8 11 11 11 11 12 12 12 12 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 9 9 9 9 10 10 10 10 10 10 10 10 13 13 13 13 14 14 14 14 18 18 18 18 19 19 19 19 22 22 22 22 15 15 15 15 23 23 23 23 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 19 19 19 19 24 24 24 24 23 23 23 23 9 10 27 9 10 27 13 14 13 14 18 32 18 32 14 23 14 23 20 34 35 20 34 35 21 36 37 21 36 37 16 38 39 16 38 39 16 38 39 17 40 41 17 40 41 17 40 41 28 29 28 29 30 31 30 31 30 31 30 31 19 22 19 22 15 33 15 33 19 24 19 24 2 18 2 18 23 42 23 42 6 23 6 23 1 22 1 22 7 38 39 7 38 39 7 38 39 7 40 41 7 40 41 7 40 41 2 13 2 13 3 4 3 4 1 15 1 15 -141.9893 -71.787 73.1959 43.602 113.8043 -101.2128 -177.5192 1.0366 -3.0653 175.4905 178.6854 -1.4697 4.1897 -175.9654 -124.0417 58.9628 12.6252 -164.3703 -160.2917 -41.7876 77.3893 60.5946 179.0987 -61.7244 160.9925 -76.18 43.5062 -60.2526 62.5748 -177.7389 54.2335 175.8555 -66.3873 176.4859 -61.8921 55.8651 -67.5707 54.0513 171.8084 -54.3332 66.3303 -176.0023 -176.6647 -56.0013 61.6662 67.4461 -171.8905 -54.223 -140.9914 2.3374 2.5348 145.8636 -1.8887 141.4995 -145.6182 -2.23 146.617 0.4779 1.288 -144.8511 0.357 -179.649 -178.2095 1.7845 179.6522 -1.1743 -1.8204 177.3531 -2.1874 177.5067 177.9706 -2.3354 179.9926 1.4853 -0.0014 -178.5087 -0.052 178.7099 179.9423 -1.2958 -176.9726 0.0955 3.8595 -179.0724 -0.877 178.8653 -178.0539 1.6884 -56.3132 -175.4603 61.3148 -176.2207 64.6322 -58.5928 66.5958 -52.5513 -175.7762 56.309 -61.462 175.6392 -68.0861 174.1429 51.2441 175.3492 57.5782 -65.3206 -179.0451 -0.6601 1.2942 179.6792 -163.1117 15.5199 16.5579 -164.8104 178.0137 -1.727 -0.7225 179.5368 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00149 0.00425 0.00515 0.00554 0.00740 0.00781 0.00900 0.00943 0.01387 0.01420 0.01572 0.01639 0.01706 0.01761 0.01875 0.01943 0.01951 0.02040 0.02057 0.02382 0.02458 0.02593 0.02604 0.02708 0.03036 0.03269 0.03492 0.03526 0.03690 0.03942 0.03980 0.04105 0.04449 0.04502 0.04654 0.04809 0.05824 0.05907 0.06042 0.06119 0.06209 0.07016 0.07328 0.07594 0.07623 0.07844 0.08458 0.08834 0.08887 0.09305 0.09957 0.10622 0.11528 0.11946 0.11986 0.12245 0.15987 0.16088 0.17090 0.17655 0.18140 0.18339 0.18539 0.19178 0.19501 0.19912 0.20381 0.20756 0.21143 0.21366 0.22666 0.23806 0.23869 0.24613 0.24841 0.25773 0.26170 0.26380 0.26910 0.27443 0.28415 0.28557 0.30097 0.30711 0.31760 0.32709 0.33357 0.33803 0.34555 0.34885 0.34937 0.35010 0.35242 0.35392 0.35482 0.35809 0.35902 0.36087 0.36273 0.36356 0.36532 0.36627 0.37164 0.37995 0.38296 0.39793 0.40008 0.42058 0.42734 0.43411 0.43487 0.44554 0.47829 0.48995 0.50092 0.51677 0.52442 0.57233 0.73160 0.75311 Angle between quadratic step and forces= 77.10 degrees. 1 2 0.00000398 0.00000000 0.00000000 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 2.57063 2.35136 2.37261 2.39079 2.74267 2.63594 2.58028 2.66711 2.77933 2.76025 2.85526 2.85314 1.93504 1.93817 2.84244 2.85368 2.05571 2.84702 2.04985 2.04972 2.05057 2.05076 2.66627 2.66518 2.58850 2.04520 2.81160 2.65796 2.63541 2.04071 2.67622 2.87488 2.05623 2.08316 2.88016 2.08489 2.06335 2.75629 2.91771 2.06009 2.06139 2.06037 2.05982 2.59000 2.04802 2.10639 2.09351 2.07922 2.03721 2.05124 1.94798 1.95345 1.91832 1.91230 1.91590 1.91306 1.84784 2.08627 2.08972 1.97927 2.04517 2.04391 2.04213 2.06105 2.07836 2.04612 2.00055 2.04352 2.05225 2.04360 2.08122 2.00709 2.06717 2.11413 2.10161 2.20541 2.02115 2.05662 2.14625 2.06151 2.07542 2.11595 2.07758 2.08956 2.15031 2.08848 2.04327 1.92668 1.91801 1.93807 1.87765 1.92048 1.88143 1.92120 1.96361 1.91257 1.91663 1.86854 1.87840 2.07116 2.01892 2.19309 2.08294 2.20475 1.99517 1.91338 1.87793 1.85909 1.94892 1.94384 1.91734 1.92152 1.85835 1.87789 1.94104 1.94564 1.91634 2.10580 2.07066 2.10653 2.06740 2.07835 2.13743 2.21643 2.05292 2.01355 -2.47818 -1.25292 1.27751 0.76100 1.98626 -1.76650 -3.09829 0.01809 -0.05350 3.06289 3.11865 -0.02565 0.07312 -3.07118 -2.16494 1.02909 0.22035 -2.86880 -2.79762 -0.72933 1.35070 1.05757 3.12586 -1.07729 2.80985 -1.32959 0.75933 -1.05161 1.09214 -3.10213 0.94655 3.06926 -1.15868 3.08026 -1.08022 0.97503 -1.17933 0.94337 2.99862 -0.94829 1.15768 -3.07182 -3.08338 -0.97741 1.07628 1.17716 -3.00005 -0.94637 -2.46076 0.04080 0.04424 2.54580 -0.03296 2.46963 -2.54152 -0.03892 2.55895 0.00834 0.02248 -2.52813 0.00623 -3.13547 -3.11034 0.03115 3.13552 -0.02050 -0.03177 3.09540 -0.03818 3.09808 3.10617 -0.04076 3.14146 0.02592 -0.00002 -3.11556 -0.00091 3.11908 3.14059 -0.02262 -3.08875 0.00167 0.06736 -3.12540 -0.01531 3.12179 -3.10763 0.02947 -0.98285 -3.06236 1.07014 -3.07563 1.12804 -1.02264 1.16232 -0.91719 -3.06787 0.98278 -1.07271 3.06548 -1.18833 3.03937 0.89438 3.06042 1.00493 -1.14006 -3.12493 -0.01152 0.02259 3.13599 -2.84684 0.27087 0.28899 -2.87648 3.10693 -0.03014 -0.01261 3.13351 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 2.57063 2.35136 2.37261 2.39079 2.74267 2.63594 2.58028 2.66710 2.77933 2.76025 2.85526 2.85314 1.93504 1.93817 2.84244 2.85368 2.05571 2.84702 2.04985 2.04972 2.05057 2.05076 2.66627 2.66518 2.58850 2.04520 2.81160 2.65796 2.63541 2.04071 2.67622 2.87488 2.05623 2.08316 2.88016 2.08489 2.06335 2.75629 2.91771 2.06009 2.06139 2.06037 2.05982 2.59000 2.04802 2.10639 2.09351 2.07922 2.03721 2.05124 1.94798 1.95345 1.91832 1.91230 1.91590 1.91306 1.84784 2.08627 2.08972 1.97927 2.04517 2.04391 2.04213 2.06105 2.07836 2.04612 2.00055 2.04352 2.05225 2.04360 2.08122 2.00709 2.06717 2.11413 2.10161 2.20541 2.02115 2.05662 2.14625 2.06151 2.07542 2.11595 2.07758 2.08956 2.15031 2.08848 2.04327 1.92668 1.91801 1.93807 1.87765 1.92048 1.88143 1.92120 1.96361 1.91257 1.91663 1.86854 1.87840 2.07116 2.01892 2.19309 2.08294 2.20475 1.99517 1.91338 1.87793 1.85909 1.94892 1.94384 1.91734 1.92152 1.85835 1.87789 1.94104 1.94564 1.91634 2.10580 2.07066 2.10653 2.06740 2.07835 2.13743 2.21643 2.05292 2.01355 -2.47818 -1.25292 1.27751 0.76100 1.98626 -1.76650 -3.09830 0.01809 -0.05350 3.06288 3.11865 -0.02565 0.07313 -3.07117 -2.16494 1.02909 0.22035 -2.86880 -2.79762 -0.72933 1.35070 1.05758 3.12586 -1.07729 2.80985 -1.32959 0.75932 -1.05161 1.09214 -3.10213 0.94655 3.06926 -1.15868 3.08026 -1.08022 0.97503 -1.17933 0.94337 2.99862 -0.94829 1.15768 -3.07182 -3.08338 -0.97740 1.07628 1.17716 -3.00005 -0.94637 -2.46076 0.04080 0.04424 2.54580 -0.03296 2.46963 -2.54152 -0.03892 2.55895 0.00834 0.02248 -2.52813 0.00623 -3.13547 -3.11034 0.03115 3.13552 -0.02050 -0.03177 3.09540 -0.03818 3.09808 3.10617 -0.04076 3.14147 0.02593 -0.00002 -3.11556 -0.00091 3.11908 3.14059 -0.02262 -3.08876 0.00167 0.06736 -3.12540 -0.01531 3.12179 -3.10763 0.02947 -0.98285 -3.06236 1.07014 -3.07563 1.12804 -1.02264 1.16232 -0.91719 -3.06787 0.98278 -1.07272 3.06548 -1.18833 3.03937 0.89438 3.06042 1.00493 -1.14006 -3.12493 -0.01152 0.02259 3.13599 -2.84682 0.27089 0.28900 -2.87647 3.10693 -0.03014 -0.01261 3.13351 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000038 0.000004 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -1.489296e-12 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 1 2 3 4 5 5 5 6 6 6 7 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 13 13 14 14 15 16 16 16 17 17 17 18 18 20 20 21 21 22 22 23 19 24 24 8 11 12 15 16 17 20 21 25 26 9 10 27 10 28 29 30 31 13 14 18 32 19 22 15 33 23 20 34 35 21 36 37 19 24 38 39 40 41 23 42 1.3603 1.2443 1.2555 1.2652 1.4514 1.3949 1.3654 1.4114 1.4708 1.4607 1.5109 1.5098 1.024 1.0256 1.5042 1.5101 1.0878 1.5066 1.0847 1.0847 1.0851 1.0852 1.4109 1.4104 1.3698 1.0823 1.4878 1.4065 1.3946 1.0799 1.4162 1.5213 1.0881 1.1024 1.5241 1.1033 1.0919 1.4586 1.544 1.0902 1.0908 1.0903 1.09 1.3706 1.0838 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 8 8 11 15 15 16 20 20 20 21 21 25 5 5 5 9 10 8 8 10 10 28 8 8 9 9 30 5 5 13 5 5 18 11 11 19 11 11 15 6 6 14 6 6 6 20 20 34 6 6 6 21 21 36 12 12 19 2 2 13 7 7 7 16 16 38 7 7 7 17 17 40 13 13 23 1 1 15 3 3 4 5 5 5 6 6 6 7 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 23 23 23 24 24 24 11 12 12 16 17 17 21 25 26 25 26 26 9 10 27 27 27 28 29 28 29 29 30 31 30 31 31 13 14 14 18 32 32 19 22 22 15 33 33 14 23 23 20 34 35 34 35 35 21 36 37 36 37 37 19 24 24 13 18 18 16 38 39 38 39 39 17 40 41 40 41 41 23 42 42 15 22 22 4 18 18 120.6873 119.9492 119.1307 116.7235 117.5274 111.6108 111.9243 109.9118 109.5669 109.7731 109.6104 105.8736 119.5347 119.732 113.4038 117.1798 117.1076 117.0057 118.0893 119.0813 117.2338 114.623 117.0849 117.5854 117.0898 119.2452 114.9977 118.4399 121.1308 120.4134 126.3606 115.8035 117.8358 122.9709 118.116 118.9131 121.2351 119.0366 119.7232 123.2037 119.6611 117.0709 110.3908 109.8941 111.0431 107.5815 110.0355 107.7978 110.0769 112.5065 109.5822 109.815 107.0595 107.6242 118.6685 115.6758 125.6548 119.3435 126.3226 114.3147 109.6285 107.5977 106.5179 111.6648 111.3737 109.8557 110.0947 106.4754 107.5952 111.2136 111.477 109.7984 120.6532 118.64 120.695 118.4532 119.0808 122.4654 126.9919 117.6237 115.3681 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 11 11 11 12 12 12 8 8 12 12 8 8 11 11 16 16 17 17 15 15 15 17 17 17 15 15 15 16 16 16 21 21 21 25 25 25 26 26 26 20 20 20 25 25 25 26 26 26 5 5 27 27 5 5 27 27 28 28 29 29 5 5 14 14 5 5 13 13 5 5 32 32 11 11 22 22 11 11 19 19 11 11 33 33 6 6 14 14 6 6 6 34 34 34 35 35 35 6 6 6 36 36 36 37 37 37 12 12 24 24 12 12 19 19 13 13 42 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 9 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 22 22 22 8 8 8 8 8 8 11 11 11 11 12 12 12 12 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 9 9 9 9 10 10 10 10 10 10 10 10 13 13 13 13 14 14 14 14 18 18 18 18 19 19 19 19 22 22 22 22 15 15 15 15 23 23 23 23 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 19 19 19 19 24 24 24 24 23 23 23 9 10 27 9 10 27 13 14 13 14 18 32 18 32 14 23 14 23 20 34 35 20 34 35 21 36 37 21 36 37 16 38 39 16 38 39 16 38 39 17 40 41 17 40 41 17 40 41 28 29 28 29 30 31 30 31 30 31 30 31 19 22 19 22 15 33 15 33 19 24 19 24 2 18 2 18 23 42 23 42 6 23 6 23 1 22 1 22 7 38 39 7 38 39 7 38 39 7 40 41 7 40 41 7 40 41 2 13 2 13 3 4 3 4 1 15 1 -141.9893 -71.787 73.1959 43.602 113.8043 -101.2128 -177.5192 1.0366 -3.0653 175.4905 178.6854 -1.4697 4.1897 -175.9654 -124.0417 58.9628 12.6252 -164.3703 -160.2917 -41.7876 77.3893 60.5946 179.0987 -61.7244 160.9925 -76.18 43.5062 -60.2526 62.5748 -177.7389 54.2335 175.8555 -66.3873 176.4859 -61.8921 55.8651 -67.5707 54.0513 171.8084 -54.3332 66.3303 -176.0023 -176.6647 -56.0013 61.6662 67.4461 -171.8905 -54.223 -140.9914 2.3374 2.5348 145.8636 -1.8887 141.4995 -145.6182 -2.23 146.617 0.4779 1.288 -144.8511 0.357 -179.649 -178.2095 1.7845 179.6522 -1.1743 -1.8204 177.3531 -2.1874 177.5067 177.9706 -2.3354 179.9926 1.4853 -0.0014 -178.5087 -0.052 178.7099 179.9423 -1.2958 -176.9726 0.0955 3.8595 -179.0724 -0.877 178.8653 -178.0539 1.6884 -56.3132 -175.4603 61.3148 -176.2207 64.6322 -58.5928 66.5958 -52.5513 -175.7762 56.309 -61.462 175.6392 -68.0861 174.1429 51.2441 175.3492 57.5782 -65.3206 -179.0451 -0.6601 1.2942 179.6792 -163.1117 15.5199 16.5579 -164.8104 178.0137 -1.727 -0.7225 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 6-31G(d,p) (6D, 7F) 450 A 450 A 450 798 450 87 87 2055.0368951927 42 42 42 1.00e+00 60 F 0.000000 4.972481 0.000000 7.749940 2.920041 0.000000 8.463018 4.317126 2.255768 0.000000 5.525437 4.127114 4.804012 4.054333 0.000000 2.762980 6.409967 8.691290 8.718187 4.910795 0.000000 4.983339 9.244627 11.538627 11.425846 7.484812 2.864920 0.000000 6.405073 5.577295 6.007818 4.841320 1.451357 5.158735 7.367895 0.000000 7.703368 6.456437 6.310639 4.870917 2.553664 6.415997 8.488217 1.504153 0.000000 6.767666 6.498212 6.963799 5.897646 2.561396 5.192644 7.134865 1.510100 1.506577 0.000000 4.130870 3.654596 5.181836 4.972781 1.394877 3.754502 6.494640 2.473560 3.750025 3.264327 0.000000 6.289561 3.605135 3.575750 2.700191 1.365426 6.113945 8.776209 2.439159 3.022038 3.560502 2.380001 0.000000 3.648123 2.361426 4.450351 4.835747 2.410588 4.258189 7.111564 3.751429 4.907172 4.571590 1.410929 2.732702 0.000000 3.636717 4.809651 6.581466 6.331237 2.443132 2.468324 5.111744 2.865100 4.206395 3.267319 1.410350 3.678018 2.448373 0.000000 2.385746 5.040470 7.282859 7.370739 3.720776 1.411371 4.265941 4.259574 5.580800 4.546568 2.444144 4.823324 2.848145 1.394599 0.000000 2.892741 7.059077 9.514216 9.603055 5.961981 1.470756 2.478236 6.239718 7.592666 6.451798 4.773267 7.099665 5.093526 3.584561 2.453974 0.000000 4.196882 7.419491 9.407996 9.143579 5.127482 1.460663 2.486701 4.968181 6.051676 4.688333 4.266368 6.453589 5.124969 2.865829 2.455825 2.424681 0.000000 6.099472 2.413646 2.399557 2.378711 2.440976 6.526015 9.323195 3.740847 4.353260 4.794049 2.860132 1.369774 2.475510 4.269745 5.137732 7.414795 7.123632 0.000000 4.845798 1.244286 2.995521 3.734664 2.885010 5.744636 8.597526 4.334525 5.233375 5.287611 2.547396 2.433241 1.487835 3.831985 4.335262 6.531725 6.589029 1.458568 0.000000 3.823093 8.408771 10.915879 11.042141 7.303793 2.456974 1.510939 7.470320 8.731622 7.465419 6.135117 8.490173 6.473373 4.871912 3.735381 1.521320 2.901968 8.831127 7.924042 0.000000 4.915089 8.725223 10.822820 10.633810 6.618226 2.446405 1.509815 6.410409 7.385099 5.953842 5.737163 7.941275 6.500082 4.352374 3.735362 2.890473 1.524115 8.581881 7.974598 2.503201 0.000000 2.353996 2.781487 5.430658 6.133037 3.685574 3.715061 6.508028 4.889821 6.120602 5.548651 2.416503 4.138820 1.406530 2.788107 2.442924 4.343125 4.884342 3.770776 2.493096 5.641971 6.082676 0.000000 1.360320 4.151825 6.738560 7.240077 4.165701 2.444553 5.169566 5.075002 6.379857 5.524031 2.770985 4.963683 2.412979 2.397529 1.416194 3.043983 3.745845 4.888288 3.759807 4.285188 4.825179 1.370568 0.000000 7.504782 3.105934 1.255529 1.265151 3.783561 8.068936 10.865447 4.881975 5.164141 5.913333 4.393286 2.468371 3.955005 5.801074 6.677416 8.934093 8.652459 1.543984 2.671460 10.360820 10.113139 5.151550 6.355153 0.000000 5.699884 10.138917 12.473223 12.401764 8.447452 3.784727 1.023978 8.308363 9.372396 7.979947 7.453953 9.743032 8.041963 6.074038 5.195991 3.369630 3.375623 10.280733 9.527208 2.094114 2.091434 7.380066 6.023125 11.824489 0.000000 5.528432 9.545243 11.745888 11.475900 7.545871 3.274080 1.025637 7.309939 8.446776 7.160877 6.653570 8.847786 7.367438 5.268716 4.583556 2.743346 2.752225 9.473028 8.838408 2.091138 2.090672 6.873634 5.586293 11.000221 1.635534 0.000000 6.584359 6.070739 6.603806 5.327467 2.131686 5.152644 7.154261 1.087837 2.222773 2.227301 2.911859 3.071741 4.192865 3.052533 4.380336 6.044501 4.906497 4.320422 4.854445 7.292148 6.348418 5.229403 5.294992 5.444603 8.117630 6.951348 0.000000 8.590379 7.355504 7.025073 5.334014 3.432352 7.134025 9.003687 2.218306 1.084734 2.243894 4.648390 3.810735 5.835816 5.010991 6.391391 8.233297 6.645991 5.159225 6.131270 9.348724 7.938309 7.052715 7.269942 5.827533 9.879182 8.856800 2.493984 0.000000 7.969742 6.162958 5.679342 4.286074 2.747757 6.982033 9.218415 2.230550 1.084665 2.223040 3.992352 2.804552 4.930461 4.695787 6.028639 8.215142 6.742599 3.992899 5.003059 9.375105 8.072704 6.208761 6.645435 4.596489 10.093945 9.261573 3.113531 1.825808 0.000000 6.389709 6.214325 6.811992 6.044829 2.740035 5.006522 7.058390 2.224869 2.221752 1.085113 3.185865 3.689620 4.340812 3.207997 4.338601 6.383085 4.594344 4.738112 5.075603 7.329699 5.784013 5.220867 5.202321 5.890396 7.857159 7.238963 3.108774 3.122814 2.497186 0.000000 7.127979 7.420713 8.008268 6.877011 3.446302 5.174475 6.718831 2.230661 2.246106 1.085218 3.980670 4.536612 5.355757 3.633916 4.803288 6.370998 4.392086 5.788814 6.213028 7.250209 5.528471 6.199232 5.963648 6.936201 7.519002 6.660055 2.508610 2.564006 3.120391 1.830415 0.000000 7.345028 4.502258 3.805913 2.285780 2.078991 6.984087 9.539889 2.576854 2.679575 3.652783 3.336244 1.082274 3.813758 4.517198 5.757600 7.984844 7.171555 2.105241 3.410526 9.361217 8.656172 5.219216 6.007298 2.581368 10.506295 9.549923 3.161706 3.266775 2.334145 3.944967 4.602383 0.000000 4.523202 5.760611 7.257813 6.707341 2.667454 2.714751 4.916985 2.494183 3.760606 2.657596 2.152608 4.022952 3.418061 1.079895 2.145805 3.841049 2.537110 4.881678 4.696032 4.990515 4.038105 3.867640 3.385678 6.356314 5.871117 4.948813 2.526455 4.431096 4.447156 2.820670 2.761012 4.666423 0.000000 2.180048 6.567428 9.191321 9.499408 6.138455 2.106240 3.406656 6.644528 8.046332 7.003845 4.847566 7.137966 4.862011 3.883433 2.615655 1.088112 3.365882 7.252983 6.214616 2.120954 3.866409 3.891453 2.659109 8.730138 4.182549 3.726317 6.498928 8.748811 8.578023 6.880861 7.065249 8.093105 4.390598 0.000000 3.692908 7.332818 9.647263 9.540461 5.934495 2.131351 2.778213 6.081284 7.473567 6.428107 4.881402 7.075753 5.332973 3.712460 2.887496 1.102363 2.713076 7.484560 6.729032 2.163039 3.315034 4.769787 3.618051 8.977488 3.716300 2.619434 5.699265 7.998326 8.191640 6.544296 6.270663 7.886417 3.805433 1.769877 0.000000 4.846341 7.705401 9.541322 9.055821 5.051616 2.141143 2.798284 4.690321 5.806006 4.542201 4.366409 6.395010 5.372408 2.993286 2.902335 2.739293 1.103277 7.185510 6.794150 3.347255 2.163369 5.301949 4.266788 8.686233 3.730723 2.642367 4.403525 6.252173 6.625842 4.706043 4.108803 7.018046 2.401479 3.732566 2.563653 0.000000 4.549609 7.229657 9.012524 8.697750 4.676897 2.096378 3.411009 4.442200 5.351977 3.908528 3.963720 6.002940 4.929828 2.677409 2.627176 3.368667 1.091879 6.744570 6.329451 3.872872 2.119323 4.881346 3.915216 8.240023 4.181012 3.737310 4.575863 6.000561 5.979088 3.679510 3.644476 6.667628 2.241267 4.186374 3.715349 1.771691 0.000000 4.430137 9.052139 11.619454 11.762257 8.117172 3.412743 2.113607 8.292732 9.602279 8.386133 6.945995 9.270424 7.217750 5.725255 4.590333 2.174253 3.870065 9.570982 8.631415 1.090151 3.424219 6.330897 5.016772 11.081095 2.420105 2.367402 8.019348 10.174169 10.278602 8.317803 8.146694 10.141665 5.850969 2.505091 2.473800 4.126145 4.892164 0.000000 3.603993 8.410893 10.995670 11.295213 7.614039 2.738493 2.100018 7.884858 9.093312 7.784745 6.381951 8.761786 6.590320 5.183911 3.942261 2.171166 3.305507 9.011160 8.015793 1.090839 2.751250 5.639158 4.282470 10.531390 2.366171 2.951918 7.845251 9.794231 9.644410 7.498533 7.641960 9.678100 5.415702 2.461938 3.078460 4.013938 4.086128 1.784986 0.000000 4.763481 8.731984 10.900949 10.888472 6.946174 2.727550 2.098094 6.869372 7.784184 6.320724 5.992553 8.220569 6.616164 4.689002 3.941162 3.294423 2.171236 8.761894 8.065860 2.749670 1.090298 6.086693 4.830805 10.282734 2.363062 2.950647 6.959615 8.432317 8.359378 5.966003 6.000162 8.984710 4.535453 4.085059 3.986239 3.076618 2.449068 3.728626 2.547015 0.000000 5.972781 9.543266 11.473119 11.112915 7.061026 3.400701 2.112492 6.637074 7.465417 6.019408 6.349581 8.414071 7.258945 4.973155 4.591197 3.858964 2.174289 9.182950 8.710308 3.424395 1.090008 6.984163 5.783355 10.690565 2.415596 2.367929 6.533626 7.908192 8.213250 5.925454 5.420978 9.028734 4.448356 4.884227 4.091932 2.462751 2.503524 4.209652 3.729550 1.783799 0.000000 2.597739 2.439327 5.321196 6.392127 4.554180 4.581728 7.270290 5.849048 7.023763 6.541130 3.395996 4.767491 2.148052 3.871857 3.424471 5.040654 5.841848 4.105905 2.668658 6.259425 6.942614 1.083765 2.137633 5.289021 8.092375 7.683035 6.210080 7.969242 7.010087 6.166157 7.240066 5.839301 4.951397 4.402092 5.518828 6.305220 5.872123 6.865161 6.156696 6.860939 7.893386 0.000000 C17H18FN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0984,-2.7781,-.4354;2.8701,-2.7072,-.248;5.5542,-1.5592,-.314;5.6356,.4917,.6219;1.6668,1.2133,.2151;-3.027,-.2007,-.076;-5.7843,.5044,.2525;1.2786,2.5942,.4361;2.066,3.6989,-.2137;.6714,3.3915,-.6935;.7014,.2173,.0679;2.9847,.8596,.2633;1.1314,-1.1169,-.0918;-.6747,.5241,.1075;-1.6417,-.4689,-.0467;-3.8598,-.9147,.9038;-3.4421,1.1921,-.2213;3.4935,-.4017,.1005;2.5665,-1.5093,-.1025;-5.3152,-.9167,.4609;-4.8879,1.2602,-.6987;.1524,-2.1148,-.2473;-1.1799,-1.7934,-.2417;5.0329,-.5128,.144;-6.7451,.5061,-.1017;-5.8171,.9911,1.1548;.8942,2.7802,1.4366;2.2359,4.5944,.3744;2.8874,3.4246,-.8668;.5774,2.895,-1.6538;-.1359,4.0744,-.4494;3.6826,1.6663,.4464;-.9791,1.5467,.2737;-3.5374,-1.9513,.9782;-3.7701,-.4612,1.9046;-3.3297,1.7661,.7141;-2.8299,1.6788,-.9834;-5.9633,-1.3711,1.2105;-5.4392,-1.4276,-.4949;-5.0039,.7875,-1.6743;-5.246,2.2888,-.7418;.4737,-3.1397,-.3918; 0.4638100 0.1288705 0.1034623 1 -1148.40873209 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778) Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. CalDSu exits because no D1Ps are significant. There are 129 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 129 vectors produced by pass 0 Test12= 3.16D-14 1.00D-09 XBig12= 3.37D+02 9.12D+00. AX will form 6 AO Fock derivatives at one time. 129 vectors produced by pass 1 Test12= 3.16D-14 1.00D-09 XBig12= 7.62D+01 9.88D-01. 127 vectors produced by pass 2 Test12= 3.16D-14 1.00D-09 XBig12= 5.17D-01 5.16D-02. 126 vectors produced by pass 3 Test12= 3.16D-14 1.00D-09 XBig12= 1.53D-03 4.08D-03. 126 vectors produced by pass 4 Test12= 3.16D-14 1.00D-09 XBig12= 3.08D-06 1.41D-04. 93 vectors produced by pass 5 Test12= 3.16D-14 1.00D-09 XBig12= 3.93D-09 4.58D-06. 28 vectors produced by pass 6 Test12= 3.16D-14 1.00D-09 XBig12= 4.03D-12 1.26D-07. 6 vectors produced by pass 7 Test12= 3.16D-14 1.00D-09 XBig12= 4.12D-15 3.66D-09. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 764 with 129 vectors. Isotropic polarizability for W= 0.000000 281.15 Bohr**3. End of Minotr F.D. properties file 721 does not exist. PT50333.400S 2021-10-16T13:11:33.000 -24.71521 -19.09560 -19.04801 -19.04763 -14.47915 -14.39805 -14.37211 -10.27467 -10.26661 -10.26550 -10.24909 -10.24874 -10.24597 -10.24540 -10.24372 -10.24085 -10.23966 -10.22683 -10.20236 -10.20008 -10.19859 -10.19851 -10.19685 -10.16858 -1.22355 -1.03433 -0.99901 -0.98780 -0.97970 -0.96429 -0.89271 -0.87192 -0.85307 -0.81381 -0.78733 -0.77651 -0.75140 -0.72838 -0.69329 -0.65785 -0.64689 -0.64363 -0.62687 -0.60915 -0.59553 -0.58347 -0.56917 -0.55172 -0.53942 -0.52859 -0.51336 -0.50928 -0.49898 -0.49646 -0.48726 -0.48313 -0.46956 -0.46440 -0.45054 -0.44761 -0.43186 -0.42842 -0.42265 -0.41660 -0.41434 -0.40558 -0.40250 -0.39648 -0.38932 -0.38140 -0.37575 -0.37126 -0.37007 -0.35971 -0.35569 -0.35214 -0.34221 -0.31247 -0.30546 -0.28873 -0.25843 -0.23455 -0.22453 -0.21019 -0.20657 -0.20011 -0.18825 -0.04060 -0.01464 0.01494 0.02949 0.06786 0.07450 0.08400 0.09134 0.09690 0.10183 0.10978 0.11379 0.11557 0.12569 0.12993 0.13350 0.14163 0.14246 0.14594 0.15276 0.15534 0.16084 0.17024 0.17464 0.18360 0.18870 0.19807 0.20591 0.21211 0.21458 0.22368 0.22818 0.23864 0.23981 0.24846 0.26287 0.28415 0.28581 0.29593 0.30197 0.32243 0.34611 0.36277 0.37308 0.38377 0.40569 0.44227 0.44555 0.46313 0.46700 0.48076 0.48344 0.49084 0.49809 0.50188 0.50328 0.51215 0.51820 0.52327 0.53425 0.54072 0.54784 0.55064 0.55511 0.56033 0.56808 0.57930 0.58376 0.59246 0.60197 0.60994 0.61975 0.62634 0.63050 0.63374 0.63786 0.64407 0.65639 0.66282 0.67344 0.68529 0.69253 0.69443 0.70797 0.71360 0.71699 0.72389 0.73863 0.74399 0.75426 0.75865 0.77510 0.78202 0.78879 0.79061 0.79560 0.80017 0.80437 0.81962 0.82372 0.83221 0.84201 0.84321 0.84636 0.85759 0.86068 0.86639 0.87150 0.88432 0.89327 0.90063 0.90571 0.91049 0.92028 0.92279 0.93280 0.94188 0.94831 0.95137 0.97067 0.97535 0.98558 1.01008 1.01291 1.02542 1.03221 1.04859 1.05522 1.07847 1.08870 1.10746 1.11582 1.12149 1.15145 1.16306 1.17269 1.18092 1.18629 1.19479 1.20658 1.21477 1.22762 1.23596 1.24833 1.26748 1.27065 1.28513 1.29217 1.30592 1.32365 1.33148 1.35523 1.36364 1.36571 1.38770 1.39340 1.39878 1.41487 1.41603 1.42838 1.43411 1.44626 1.47782 1.49150 1.49966 1.51307 1.53346 1.54579 1.55728 1.55944 1.58723 1.59957 1.61164 1.63738 1.63948 1.66818 1.68406 1.68925 1.71296 1.71796 1.72371 1.73121 1.73532 1.74260 1.74890 1.75772 1.76611 1.77421 1.78474 1.79844 1.80626 1.81528 1.82028 1.83226 1.83826 1.84776 1.84983 1.85407 1.85963 1.86614 1.87642 1.89169 1.90031 1.90352 1.91271 1.91535 1.92653 1.93529 1.93593 1.94478 1.96012 1.97020 1.97155 1.98696 1.99396 2.01665 2.02235 2.03733 2.04558 2.05240 2.06447 2.06778 2.07708 2.08945 2.09739 2.10180 2.11665 2.12305 2.13160 2.13414 2.14079 2.15457 2.16471 2.17022 2.18168 2.19253 2.20499 2.20787 2.21949 2.23678 2.24040 2.25633 2.27067 2.28246 2.28976 2.30260 2.30823 2.31270 2.31642 2.31943 2.32631 2.33628 2.34768 2.36344 2.38220 2.39232 2.40098 2.41184 2.41393 2.43234 2.44299 2.46156 2.46748 2.48016 2.49456 2.49799 2.50790 2.51708 2.52782 2.53851 2.54631 2.55141 2.56166 2.57954 2.60250 2.60509 2.61187 2.62684 2.62941 2.64336 2.66099 2.67035 2.68950 2.69904 2.70304 2.71933 2.72303 2.73218 2.75573 2.76200 2.77069 2.77832 2.78972 2.79939 2.81096 2.81492 2.82725 2.83232 2.84082 2.84439 2.86491 2.87140 2.89400 2.90156 2.91673 2.92109 2.93997 2.94906 2.96086 2.96553 2.99222 3.02467 3.04860 3.07147 3.10352 3.12194 3.13498 3.16368 3.19946 3.21332 3.24548 3.24661 3.26114 3.28252 3.30309 3.30989 3.33492 3.37048 3.38603 3.40742 3.44195 3.45493 3.45768 3.47615 3.48356 3.53548 3.57854 3.62133 3.70331 3.90726 4.00596 4.07107 4.12782 4.13153 4.14780 4.16651 4.21885 4.26535 4.34774 4.39075 4.39505 4.43067 4.46127 4.47804 4.50994 4.55969 4.61168 4.62722 4.64263 4.68247 4.73655 4.89761 5.68122 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 F O O O N N N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H -0.306137 -0.596134 -0.649679 -0.669114 -0.553326 -0.527864 -0.477737 0.028849 -0.247490 -0.223875 0.295829 0.099575 0.005762 -0.167206 0.246415 -0.071632 -0.055730 -0.094234 0.347172 -0.095195 -0.100043 -0.197353 0.331204 0.471105 0.381871 0.371152 0.147233 0.138159 0.141055 0.140102 0.135850 0.133826 0.130352 0.168261 0.138311 0.140067 0.167505 0.188159 0.189510 0.190737 0.188589 0.116097 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 F O O O N N N C C C C C C C C C C C C C C C C C -0.306137 -0.596134 -0.649679 -0.669114 -0.553326 -0.527864 0.275286 0.176083 0.031725 0.052077 0.295829 0.233400 0.005762 -0.036854 0.246415 0.234940 0.251842 -0.094234 0.347172 0.282474 0.279283 -0.081255 0.331204 0.471105 -0.00001 383.947 -13.182 308.858 -0.621 17.292 150.647 407.744 -18.620 390.268 1.394 32.699 184.057 -8.6279 -0.0021 0.0002 0.0004 3.8782 6.3237 28.6455 43.0801 54.7692 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 28.2002 42.5651 54.7511 65.9700 75.8631 80.8940 88.8333 133.7541 144.4741 162.8926 184.3930 203.3620 232.1725 251.2973 267.1065 288.8389 306.0688 320.1164 341.2673 351.3040 378.5030 394.1694 408.2494 427.2862 461.3692 469.3108 478.6448 497.0885 532.4771 542.6264 560.7185 620.1843 639.5997 662.6208 692.4123 711.7249 736.0662 743.6198 766.5127 786.8935 793.2656 812.4443 823.8354 841.8690 843.8767 852.3460 858.4275 886.7079 907.5592 913.9830 921.4742 943.2363 970.4811 979.3351 1031.6779 1036.6707 1045.7327 1056.3109 1069.1559 1069.4105 1093.6245 1101.6841 1133.4912 1142.9352 1164.7773 1173.7500 1186.2379 1200.8350 1201.4380 1216.4800 1236.8172 1260.6690 1273.8301 1285.7161 1313.9735 1336.4535 1344.1246 1348.6988 1365.2814 1368.2026 1386.8748 1388.0638 1405.8413 1410.3425 1422.9081 1437.6531 1443.7650 1454.2209 1471.4603 1490.2337 1495.3275 1503.3221 1503.9394 1508.2265 1512.0809 1530.7725 1582.1145 1637.9456 1649.1036 1662.2737 1675.3295 1709.0079 2980.9351 2992.1410 3117.6546 3120.1715 3128.6958 3148.8509 3151.3703 3158.0760 3176.3923 3182.2337 3185.5593 3228.0408 3236.2443 3244.0887 3248.6082 3261.9417 3442.8346 3501.7903 9.8021 6.2589 3.5466 4.3418 12.3370 2.9124 4.7828 3.8232 4.9916 4.5891 6.5039 5.4033 4.8311 3.2237 2.6781 6.8059 4.2546 3.9356 6.8004 6.2366 4.1524 4.2866 2.4070 7.9210 4.9381 3.9578 2.9667 3.6661 2.9955 3.6242 4.4703 4.7263 3.4804 7.3056 5.3898 4.1719 4.3279 7.6380 3.6271 2.7005 1.8667 8.0046 3.4535 1.3753 1.7587 3.3122 1.5619 1.4207 3.5928 2.0558 1.5022 3.5467 1.7415 2.3005 2.2209 1.7937 2.3383 2.0135 1.8761 1.8601 1.3419 2.5978 1.4294 1.4649 2.3231 2.5365 2.1588 1.3431 1.1030 2.7494 2.5348 1.5376 1.6073 1.8803 3.7310 1.1685 2.0626 1.4852 5.1601 2.2493 2.1316 1.5229 2.2196 3.4801 1.4073 1.1805 1.5366 1.4352 1.0931 1.0845 4.3272 1.1841 1.1615 1.4041 1.1171 3.2004 8.4893 7.3770 10.2508 1.0740 8.3598 11.8266 1.0723 1.0743 1.0594 1.0646 1.0861 1.0782 1.0599 1.0609 1.0903 1.1110 1.1115 1.0909 1.1199 1.0950 1.1122 1.0895 1.0554 1.0935 0.0046 0.0067 0.0063 0.0111 0.0418 0.0112 0.0222 0.0403 0.0614 0.0717 0.1303 0.1317 0.1534 0.1199 0.1126 0.3345 0.2348 0.2376 0.4666 0.4535 0.3505 0.3924 0.2364 0.8521 0.6193 0.5136 0.4005 0.5337 0.5004 0.6287 0.8281 1.0711 0.8389 1.8899 1.5225 1.2451 1.3815 2.4885 1.2556 0.9852 0.6921 3.1130 1.3810 0.5743 0.7379 1.4177 0.6781 0.6581 1.7435 1.0118 0.7515 1.8591 0.9664 1.3000 1.3927 1.1357 1.5066 1.3237 1.2635 1.2533 0.9456 1.8577 1.0821 1.1274 1.8570 2.0589 1.7898 1.1411 0.9381 2.3971 2.2846 1.4398 1.5367 1.8314 3.7953 1.2297 2.1955 1.5917 5.6670 2.4808 2.4156 1.7288 2.5846 4.0784 1.6788 1.4375 1.8872 1.7882 1.3945 1.4190 5.7007 1.5767 1.5478 1.8819 1.5048 4.4184 12.5198 11.6608 16.4249 1.7485 13.8244 20.3517 5.6141 5.6669 6.0670 6.1067 6.2640 6.2985 6.2018 6.2342 6.4811 6.6289 6.6454 6.6973 6.9103 6.7898 6.9153 6.8303 7.3706 7.9006 0.3376 0.1991 3.4115 3.4782 1.2894 0.9341 4.9844 5.5476 4.8543 3.1834 1.0545 22.9471 11.4130 3.2050 1.2905 5.2480 3.2904 0.7256 0.5307 11.0288 6.7631 2.3515 16.6968 7.9009 3.4677 4.1712 3.1773 8.2615 19.5473 11.1361 2.1150 49.6244 1.2990 5.8231 16.4975 11.4270 83.7986 17.5837 24.8221 37.1550 29.1757 36.6661 13.7493 15.8546 4.8870 29.7021 23.6223 34.9124 21.4067 3.3685 25.0330 127.2182 15.0218 3.9497 30.8433 8.4710 3.3503 27.9138 0.7312 30.3322 2.5774 15.9513 2.6412 20.0773 37.6462 28.3432 50.0598 0.2647 24.3303 1.8080 54.5473 72.0697 47.5526 490.8174 325.5744 25.5366 88.6849 25.3433 526.6335 116.9503 64.7701 41.3874 116.2594 30.6006 36.0020 47.1139 22.5077 24.6057 6.3173 7.1687 199.2669 17.0074 98.0338 18.9098 59.7028 416.9865 78.2693 36.7802 397.6105 112.3754 56.4816 1224.9668 67.1251 85.1728 5.6093 3.8884 10.2348 23.4615 17.1845 10.3605 5.6922 2.5407 3.8250 8.8892 0.8150 9.5305 13.5392 2.8579 76.5269 122.5923 -0.00 0.01 -0.04 0.01 0.03 -0.12 0.02 0.14 -0.18 -0.06 -0.19 0.57 -0.00 0.01 -0.05 -0.00 -0.00 0.01 0.01 -0.01 0.13 -0.00 0.03 -0.13 0.02 -0.02 -0.18 0.03 -0.04 -0.19 -0.00 0.01 -0.07 -0.01 0.01 0.03 0.00 0.01 -0.07 -0.00 0.01 -0.06 0.00 0.01 -0.04 0.04 -0.01 0.04 -0.02 -0.00 0.04 -0.01 0.01 0.04 -0.00 0.02 -0.07 0.02 -0.01 0.11 -0.04 -0.00 0.10 0.00 0.01 -0.07 0.00 0.01 -0.05 -0.02 -0.02 0.16 -0.01 -0.02 0.17 0.04 -0.02 0.13 -0.02 0.09 -0.15 0.01 0.02 -0.24 0.03 -0.07 -0.15 0.04 -0.10 -0.16 0.03 -0.02 -0.25 -0.03 0.01 0.11 -0.00 0.01 -0.05 0.05 -0.01 0.03 0.08 -0.01 0.04 0.02 -0.01 0.04 -0.05 0.01 0.02 0.06 -0.02 0.13 -0.02 -0.01 0.11 -0.07 0.00 0.10 -0.04 -0.01 0.12 0.00 0.01 -0.08 0.00 0.04 -0.23 -0.01 -0.02 0.11 0.00 -0.09 0.29 -0.00 0.08 -0.09 0.00 0.01 -0.02 -0.00 0.01 -0.01 0.00 -0.04 0.16 0.01 0.02 -0.08 0.01 -0.02 -0.14 0.01 -0.03 -0.11 -0.00 0.01 -0.03 -0.00 0.00 -0.00 -0.00 0.01 -0.04 -0.00 0.01 -0.03 -0.00 0.02 -0.06 0.03 -0.09 -0.05 -0.02 0.03 0.15 -0.00 -0.01 0.05 -0.00 -0.01 0.05 0.02 -0.05 0.00 -0.03 0.07 0.22 -0.00 0.02 -0.11 -0.00 0.03 -0.14 -0.00 -0.01 0.09 -0.01 -0.01 0.19 0.02 -0.13 0.21 0.01 0.06 -0.09 0.02 0.01 -0.18 0.01 -0.05 -0.13 0.00 -0.08 -0.09 0.01 -0.02 -0.14 0.00 0.00 -0.02 0.00 0.01 0.01 0.04 -0.09 -0.16 0.06 -0.19 -0.00 0.03 -0.07 0.20 -0.05 0.11 0.17 0.05 -0.13 -0.02 -0.01 0.04 -0.04 -0.07 0.19 0.17 -0.04 0.08 0.35 -0.00 0.03 -0.14 -0.00 -0.02 -0.01 0.00 -0.01 0.00 0.01 -0.02 0.11 -0.03 0.03 0.00 -0.01 -0.01 -0.05 -0.01 -0.03 -0.08 0.04 0.06 0.12 -0.03 -0.02 0.02 -0.00 0.03 0.14 0.03 0.06 0.04 -0.01 -0.01 -0.08 -0.02 -0.00 -0.02 -0.00 -0.01 -0.06 -0.01 -0.01 -0.11 -0.00 -0.02 -0.09 0.07 0.07 0.06 -0.00 -0.04 -0.17 -0.01 -0.00 -0.01 -0.00 -0.01 -0.02 0.02 0.06 0.21 -0.04 -0.07 -0.05 0.00 -0.02 -0.05 0.00 -0.02 -0.06 -0.01 0.01 0.04 -0.00 0.05 0.23 0.15 0.15 0.08 -0.09 -0.09 0.01 -0.04 -0.01 0.22 0.04 0.08 0.17 0.09 0.12 -0.00 0.01 0.03 0.04 -0.02 -0.01 0.01 -0.02 -0.01 -0.14 0.05 0.07 0.11 0.18 0.15 0.02 0.08 0.04 -0.23 -0.06 -0.12 -0.27 0.09 0.15 0.33 -0.09 -0.02 0.28 -0.14 -0.18 0.02 -0.03 -0.07 -0.14 0.01 -0.02 -0.03 0.03 -0.09 0.00 0.06 -0.01 -0.02 0.05 0.09 -0.01 -0.03 0.08 0.01 -0.03 -0.04 0.02 0.01 -0.04 -0.06 0.07 0.21 0.06 -0.07 -0.05 0.01 -0.14 -0.04 -0.07 -0.16 -0.10 0.02 -0.00 -0.06 0.02 -0.02 -0.00 0.01 0.02 -0.05 0.02 -0.00 -0.08 0.01 0.00 -0.08 -0.01 -0.04 -0.02 -0.08 0.11 -0.00 -0.01 0.00 0.01 0.01 0.03 -0.02 0.00 -0.06 0.15 -0.02 0.10 0.15 0.05 0.02 -0.06 0.02 0.02 -0.08 0.00 0.01 0.06 0.00 0.05 0.32 0.12 0.17 0.18 0.08 -0.02 -0.03 0.03 -0.14 -0.01 -0.10 -0.17 -0.03 -0.11 -0.20 -0.13 0.04 -0.17 -0.12 0.05 -0.04 0.01 0.01 -0.01 -0.08 0.02 -0.14 -0.06 -0.17 0.05 -0.10 -0.05 0.19 -0.04 0.01 0.12 -0.03 -0.01 -0.07 0.18 -0.02 -0.15 0.21 -0.04 0.01 0.18 0.04 0.20 0.18 0.09 0.03 -0.06 0.02 0.02 0.03 -0.22 -0.01 -0.04 0.56 -0.10 0.07 -0.44 0.08 -0.12 -0.03 0.00 0.02 0.04 0.00 -0.01 -0.12 0.02 -0.00 0.09 -0.00 0.02 0.04 -0.04 0.02 0.01 -0.05 0.01 0.06 0.00 0.02 0.04 0.01 0.02 0.01 -0.00 0.00 0.12 -0.00 0.02 -0.04 0.01 0.01 -0.10 0.06 -0.01 -0.06 -0.01 -0.01 -0.09 -0.00 0.01 0.07 -0.01 -0.01 0.27 0.03 -0.00 0.05 -0.04 -0.01 0.01 0.01 0.01 0.03 0.01 0.02 -0.10 -0.01 -0.02 -0.14 -0.01 0.01 0.16 0.10 0.00 0.09 0.03 0.02 0.05 -0.02 0.02 -0.00 -0.06 0.03 -0.02 -0.08 0.00 0.06 -0.05 -0.00 0.09 0.01 0.04 -0.06 -0.02 0.02 -0.06 0.06 -0.02 -0.10 0.14 -0.03 -0.06 0.05 -0.01 -0.10 -0.06 -0.01 -0.13 0.09 -0.00 0.10 -0.05 -0.00 0.06 -0.12 -0.02 0.03 -0.04 -0.01 0.03 0.02 0.00 0.07 0.01 -0.05 0.07 0.01 -0.01 0.04 0.00 0.05 -0.05 -0.02 0.03 -0.01 -0.02 -0.01 -0.03 -0.02 -0.02 -0.02 -0.01 0.02 0.03 -0.06 -0.01 -0.05 0.08 0.03 0.18 0.19 0.04 -0.15 -0.01 -0.01 -0.03 -0.02 0.00 -0.01 -0.00 -0.02 0.01 -0.01 -0.02 -0.06 -0.02 -0.03 -0.02 -0.04 -0.06 -0.07 0.01 -0.00 0.05 -0.01 0.01 -0.00 -0.00 -0.01 0.01 -0.04 -0.00 -0.07 0.00 0.07 0.08 -0.00 -0.02 0.04 -0.00 -0.03 0.03 -0.01 0.03 -0.02 -0.01 0.07 0.03 0.00 -0.04 0.06 -0.27 -0.06 -0.13 -0.06 -0.01 0.27 0.23 0.08 0.34 0.41 0.08 -0.19 0.13 0.03 -0.30 -0.03 0.00 -0.00 -0.01 -0.01 -0.11 -0.06 -0.07 -0.12 -0.03 -0.12 -0.04 0.04 -0.06 0.08 0.00 0.03 0.07 -0.04 -0.04 -0.10 -0.04 0.07 -0.10 -0.02 0.14 0.04 0.03 0.08 0.16 -0.00 -0.03 0.08 -0.02 0.04 -0.13 -0.00 0.02 -0.12 -0.00 0.06 -0.06 0.00 0.08 -0.10 -0.02 -0.02 0.21 -0.01 -0.01 -0.00 0.00 0.02 0.00 -0.02 0.00 0.01 0.06 -0.09 -0.03 0.13 -0.15 -0.18 -0.01 -0.02 0.15 -0.02 -0.02 0.18 -0.01 -0.01 0.07 -0.01 -0.01 0.13 -0.01 -0.00 0.03 0.01 0.04 0.05 -0.01 -0.02 -0.08 -0.01 -0.00 0.09 -0.01 0.01 0.01 -0.01 0.03 0.09 -0.01 -0.06 -0.08 -0.01 0.00 -0.02 -0.01 0.01 -0.04 -0.00 0.05 -0.03 -0.01 0.01 0.03 0.04 0.09 -0.03 -0.15 0.13 -0.06 -0.02 -0.01 -0.13 0.15 -0.17 0.11 0.26 -0.29 -0.12 0.10 -0.11 -0.39 -0.01 -0.03 0.20 -0.02 -0.02 0.17 0.00 0.04 0.08 0.04 0.08 0.03 -0.02 0.04 -0.11 -0.01 -0.06 -0.11 0.01 0.09 0.14 -0.04 -0.03 0.13 -0.02 -0.15 -0.03 -0.02 -0.06 -0.16 -0.01 0.01 -0.09 -0.06 0.05 -0.10 0.03 -0.04 0.10 0.03 0.02 0.01 -0.03 0.01 0.04 -0.00 -0.02 -0.06 0.03 0.04 0.15 0.03 0.00 -0.11 -0.10 -0.06 -0.04 -0.13 0.05 0.11 -0.04 -0.06 -0.08 0.02 -0.04 -0.03 -0.00 0.00 -0.09 0.01 -0.04 -0.06 0.03 -0.03 0.07 0.02 -0.01 0.08 0.01 0.07 0.14 0.05 0.03 0.10 0.00 -0.00 -0.06 0.01 -0.03 -0.01 0.04 0.02 0.04 0.10 -0.01 -0.05 -0.01 -0.02 -0.09 -0.01 -0.00 -0.04 0.00 0.01 -0.00 0.07 -0.05 -0.22 -0.09 0.06 -0.14 -0.23 -0.14 -0.08 -0.30 0.03 0.19 -0.02 0.18 0.20 0.14 -0.03 -0.11 -0.14 -0.15 -0.16 -0.01 0.01 -0.11 0.04 -0.04 0.13 0.03 0.08 0.21 -0.06 0.12 0.12 -0.05 0.05 0.10 0.12 0.03 0.15 -0.02 0.08 0.02 0.12 -0.05 0.06 0.22 -0.05 -0.05 0.07 -0.02 -0.13 -0.03 -0.02 -0.15 -0.07 0.01 -0.03 0.02 -0.08 0.08 0.15 0.20 -0.03 -0.13 0.18 0.03 -0.01 -0.06 -0.05 -0.03 0.01 0.05 -0.04 0.00 -0.03 0.11 -0.04 0.01 0.20 -0.14 -0.07 0.09 0.08 0.12 -0.01 -0.05 -0.04 -0.02 -0.07 -0.04 -0.02 -0.06 -0.03 -0.01 -0.03 -0.01 -0.03 -0.01 0.01 -0.04 0.02 0.04 -0.02 0.01 0.03 -0.01 -0.06 -0.01 -0.00 -0.07 0.01 -0.03 0.01 0.01 -0.01 -0.00 -0.01 -0.04 -0.04 -0.04 -0.04 -0.01 -0.02 0.01 0.11 0.00 -0.02 -0.02 -0.07 -0.08 0.02 -0.04 0.27 -0.01 0.07 0.43 -0.17 -0.09 0.06 -0.28 -0.19 -0.13 0.14 0.11 0.23 0.20 0.26 -0.02 -0.08 -0.04 0.02 -0.02 0.01 -0.04 0.03 0.07 -0.06 0.04 0.04 -0.06 0.01 0.04 -0.00 0.01 0.05 -0.05 0.03 0.01 -0.01 -0.02 0.02 0.03 -0.01 -0.01 -0.02 -0.01 -0.03 -0.08 -0.05 -0.04 -0.06 0.04 0.15 0.02 -0.04 -0.01 0.05 0.06 -0.04 0.00 0.06 -0.04 0.02 -0.05 0.06 0.02 0.10 -0.06 -0.02 -0.10 -0.01 -0.03 -0.07 0.05 -0.10 -0.05 0.02 -0.06 -0.17 0.00 0.02 -0.03 -0.08 0.01 -0.05 0.14 0.01 -0.03 -0.05 0.04 0.04 -0.18 0.01 0.07 -0.13 0.09 0.11 0.00 -0.02 0.10 0.01 0.01 -0.05 0.09 0.01 -0.04 0.01 0.11 -0.06 -0.03 -0.06 0.07 0.07 -0.03 -0.00 -0.03 -0.02 0.04 -0.03 0.02 0.02 0.01 0.00 -0.18 -0.08 -0.13 -0.15 0.01 -0.07 -0.07 0.04 -0.18 -0.01 -0.01 -0.06 -0.02 0.06 -0.01 -0.23 0.03 -0.12 -0.21 -0.06 0.01 -0.06 0.20 0.07 0.05 -0.22 0.18 0.15 0.12 0.04 0.23 -0.04 0.01 0.06 0.03 -0.09 0.15 -0.01 0.13 -0.13 -0.07 0.21 -0.05 -0.05 -0.05 0.19 0.02 -0.12 0.06 0.22 -0.08 -0.03 0.04 -0.07 0.13 -0.16 0.02 -0.04 -0.13 0.14 0.03 0.03 -0.04 0.02 0.05 0.04 -0.03 -0.10 0.00 0.05 -0.09 -0.02 -0.05 0.07 -0.00 -0.05 -0.05 -0.07 0.05 0.06 -0.04 -0.02 -0.00 0.02 -0.05 0.11 0.04 -0.03 -0.18 0.00 -0.07 0.27 0.03 0.02 0.06 0.01 0.06 0.02 0.04 0.03 -0.07 -0.04 0.04 -0.09 0.03 -0.04 -0.10 0.02 -0.06 0.02 0.04 -0.04 -0.03 -0.09 0.01 0.03 -0.04 -0.05 0.33 -0.02 0.04 0.10 0.04 0.00 -0.02 -0.04 -0.05 0.13 0.03 -0.09 0.09 -0.04 -0.14 -0.05 -0.16 0.01 0.14 -0.04 0.18 0.05 0.03 0.05 -0.04 -0.10 -0.10 0.02 0.05 -0.01 -0.28 0.06 0.05 -0.05 0.08 0.04 -0.06 0.05 0.04 -0.07 0.02 0.06 -0.11 -0.11 0.03 -0.15 0.08 -0.11 -0.04 0.04 0.01 -0.05 -0.16 0.05 0.02 -0.12 0.00 0.10 -0.09 -0.07 0.36 0.02 0.03 0.05 0.09 0.00 0.08 0.17 -0.01 0.02 0.13 -0.02 0.03 0.07 -0.03 0.02 -0.08 0.01 0.02 -0.17 0.06 0.05 0.03 -0.05 0.03 -0.04 -0.00 0.03 0.01 -0.14 -0.01 0.03 0.00 -0.01 0.09 -0.01 -0.04 0.05 0.02 -0.09 0.01 0.01 0.05 -0.04 0.04 0.04 -0.16 -0.03 -0.06 -0.16 -0.01 -0.03 0.11 0.01 -0.07 0.08 0.01 -0.03 -0.19 0.05 -0.00 -0.18 -0.04 -0.03 0.02 0.05 -0.10 0.00 0.06 -0.01 0.14 -0.01 -0.01 -0.20 0.10 0.13 -0.07 0.08 0.05 -0.00 -0.06 0.02 -0.15 0.03 0.02 0.02 0.07 0.07 0.09 -0.20 0.01 -0.06 -0.19 -0.08 0.06 0.01 -0.04 0.03 0.02 0.08 -0.21 -0.05 -0.14 -0.14 -0.12 -0.01 -0.19 0.03 -0.05 -0.18 -0.00 -0.04 -0.15 0.04 0.03 -0.27 0.08 -0.01 -0.21 -0.14 0.02 -0.15 -0.04 -0.13 -0.03 0.04 -0.14 0.02 -0.04 -0.11 0.07 0.02 -0.12 -0.01 -0.00 -0.05 0.15 -0.01 -0.06 0.01 -0.00 -0.11 -0.04 -0.00 0.05 -0.10 0.03 -0.09 -0.01 -0.01 -0.07 -0.02 0.04 -0.00 -0.03 0.10 0.01 0.01 -0.02 -0.08 0.01 -0.01 0.12 0.02 -0.04 0.09 -0.00 -0.02 -0.17 -0.03 -0.02 -0.05 -0.06 0.02 0.06 -0.05 0.00 0.14 0.04 -0.02 0.22 0.04 -0.01 0.08 -0.09 0.06 0.10 0.00 -0.00 -0.02 0.01 -0.03 0.11 -0.01 -0.03 -0.01 0.07 -0.01 0.05 -0.05 -0.05 -0.23 -0.26 0.11 -0.14 0.01 -0.05 -0.06 0.02 -0.01 0.07 -0.05 0.08 -0.06 -0.07 0.21 -0.04 -0.02 0.07 0.11 -0.02 0.01 0.13 0.01 -0.01 -0.24 -0.11 -0.00 0.04 -0.01 0.00 0.05 -0.16 -0.09 0.22 0.00 0.11 0.26 -0.07 0.18 0.19 -0.15 -0.07 0.18 0.12 -0.04 -0.02 0.00 -0.01 -0.09 -0.01 -0.05 0.17 0.08 -0.11 -0.03 0.05 0.04 0.03 -0.00 -0.04 0.03 0.01 -0.04 0.03 -0.03 0.00 0.06 -0.04 -0.01 -0.09 -0.11 -0.04 -0.09 -0.01 0.01 0.03 0.04 -0.05 -0.01 0.02 -0.01 0.00 -0.02 -0.01 0.07 -0.01 0.04 -0.08 0.01 0.00 0.03 -0.03 -0.05 0.04 -0.02 -0.05 -0.05 0.01 0.15 0.06 -0.01 0.02 0.01 0.01 0.06 -0.13 0.02 0.04 -0.02 0.01 0.02 0.07 -0.04 0.12 0.08 0.03 -0.01 0.02 0.01 -0.05 -0.03 0.01 -0.00 -0.04 -0.03 -0.18 -0.30 -0.37 -0.03 -0.10 -0.01 0.04 0.03 0.08 -0.03 -0.05 0.02 -0.12 0.01 0.00 -0.04 0.02 0.06 0.04 -0.03 -0.02 0.06 -0.10 -0.05 -0.05 0.05 0.05 0.17 0.26 0.02 0.35 -0.03 0.06 -0.06 0.05 -0.05 0.07 0.01 0.03 0.06 0.11 0.06 -0.11 0.12 -0.06 0.32 -0.02 -0.02 0.13 0.28 0.05 -0.00 0.02 0.07 -0.01 0.01 -0.08 -0.02 0.01 0.02 0.00 0.02 -0.09 0.01 0.02 0.02 0.01 0.05 0.01 0.02 -0.04 0.01 0.02 -0.05 0.03 0.00 0.06 -0.00 -0.01 0.01 0.01 -0.10 0.01 0.00 0.04 -0.00 0.01 -0.01 -0.04 -0.01 0.03 0.03 0.00 0.05 -0.08 0.01 0.04 -0.07 0.05 -0.07 -0.07 -0.03 0.03 0.14 -0.01 -0.01 -0.11 -0.03 -0.00 -0.02 -0.01 0.03 0.11 0.05 -0.05 -0.06 0.01 0.03 0.07 0.02 0.03 -0.00 -0.03 -0.00 -0.03 0.02 -0.03 -0.09 -0.04 0.11 -0.10 0.02 0.01 0.06 -0.06 0.03 -0.04 0.02 -0.01 0.04 0.04 -0.19 0.05 -0.01 -0.10 -0.07 0.03 -0.04 -0.02 0.00 0.05 -0.10 -0.01 -0.10 -0.25 0.18 -0.21 -0.02 -0.20 -0.13 0.26 0.05 0.20 0.32 0.06 0.17 0.26 -0.19 -0.10 0.20 0.20 -0.18 -0.01 -0.00 -0.08 -0.22 0.01 0.03 0.12 0.24 -0.17 -0.01 -0.23 -0.17 -0.04 0.08 0.05 -0.05 -0.12 0.06 -0.03 0.08 0.02 -0.04 -0.00 0.03 0.01 -0.06 -0.01 -0.01 0.10 0.05 -0.07 -0.06 0.22 -0.01 -0.02 0.04 -0.02 0.03 0.05 0.05 0.04 -0.11 0.02 0.01 0.05 -0.00 0.01 0.00 0.13 0.01 -0.00 0.04 -0.01 0.07 0.03 -0.03 0.03 -0.05 -0.02 -0.17 0.14 -0.05 -0.12 0.04 -0.00 0.01 -0.01 -0.07 0.04 0.02 0.05 0.07 -0.08 0.05 0.01 -0.04 -0.02 -0.03 0.03 -0.05 -0.05 -0.05 -0.13 -0.02 -0.00 0.09 0.02 -0.06 -0.22 0.19 0.09 -0.02 0.43 -0.04 0.08 0.08 -0.05 -0.14 -0.11 0.00 0.12 -0.16 -0.05 -0.01 -0.01 0.18 0.02 0.08 0.08 -0.04 0.12 0.01 0.02 0.07 -0.08 -0.07 -0.01 -0.11 -0.00 -0.02 -0.02 0.05 0.01 -0.01 -0.11 0.11 -0.01 -0.06 0.05 0.10 0.08 0.09 -0.12 0.17 -0.10 -0.11 0.01 0.02 0.00 -0.07 -0.01 0.01 -0.05 0.00 0.01 -0.01 -0.01 -0.02 0.01 0.11 0.21 0.01 0.03 0.07 -0.02 -0.04 0.06 0.02 -0.11 0.02 0.01 -0.10 0.02 0.00 0.01 -0.09 -0.02 0.01 0.01 0.02 0.01 0.02 0.01 0.02 -0.15 -0.01 0.01 0.03 -0.05 0.05 0.09 -0.03 0.07 -0.04 -0.02 0.03 -0.06 0.00 0.02 -0.02 0.01 0.01 -0.11 -0.05 -0.03 -0.03 0.03 0.02 0.11 0.02 -0.00 0.04 -0.05 0.01 -0.02 -0.04 0.10 0.21 0.17 -0.02 0.10 -0.01 -0.06 0.06 0.03 -0.07 -0.05 0.03 -0.19 0.06 -0.01 -0.17 0.06 0.04 -0.04 -0.03 -0.03 0.00 0.08 0.01 0.03 -0.20 0.01 0.06 0.09 -0.21 0.01 0.13 -0.04 0.26 -0.16 -0.06 -0.06 -0.14 -0.08 -0.16 -0.30 0.20 0.19 -0.23 -0.07 -0.15 0.03 -0.08 -0.04 -0.14 0.02 0.01 0.14 0.07 -0.06 0.06 0.14 -0.01 -0.02 -0.11 -0.01 -0.01 -0.02 -0.00 -0.01 -0.03 -0.03 -0.03 0.03 0.16 -0.04 -0.01 -0.00 0.04 -0.08 -0.04 -0.07 0.00 -0.06 0.01 -0.02 0.09 -0.02 0.02 -0.08 0.07 -0.03 0.01 -0.03 0.04 -0.07 -0.01 0.05 -0.05 0.16 0.01 0.04 -0.01 0.07 0.03 -0.11 -0.09 0.15 0.05 -0.03 0.00 0.06 0.05 -0.04 0.02 0.04 0.02 0.01 -0.08 -0.05 -0.06 0.00 -0.02 -0.06 0.01 0.02 -0.05 -0.06 0.01 0.02 -0.04 -0.02 0.14 0.09 0.03 0.03 -0.09 -0.05 -0.07 0.11 -0.11 0.05 -0.04 -0.11 -0.03 -0.07 0.21 -0.07 0.03 0.12 0.08 -0.04 0.03 -0.10 0.08 -0.05 0.25 0.10 0.03 -0.26 0.12 -0.10 -0.06 -0.26 0.08 0.11 -0.07 0.30 0.16 0.13 -0.00 0.07 -0.04 0.02 0.02 0.03 -0.23 0.01 -0.19 -0.10 -0.25 -0.07 -0.04 -0.07 -0.07 -0.20 0.01 -0.15 0.03 0.01 0.26 -0.00 0.02 0.20 -0.04 0.02 -0.06 0.00 0.09 -0.03 0.11 0.05 0.14 -0.01 0.04 -0.06 0.04 -0.02 -0.01 0.02 -0.01 -0.02 0.10 -0.03 -0.09 0.02 0.07 -0.02 -0.00 -0.01 -0.10 0.03 0.06 -0.10 -0.04 -0.01 -0.09 -0.03 -0.09 0.05 0.01 0.02 -0.01 0.12 0.04 0.06 0.02 -0.06 -0.07 0.04 0.02 0.09 -0.03 -0.05 0.03 -0.03 -0.07 -0.11 0.01 -0.01 -0.14 -0.07 -0.09 0.20 -0.01 -0.03 0.08 0.06 0.21 0.33 -0.02 0.06 -0.08 0.10 -0.04 0.06 0.00 -0.01 -0.03 -0.03 -0.03 -0.04 0.15 -0.05 0.01 0.13 0.00 -0.06 0.04 -0.03 -0.15 -0.06 0.04 0.13 0.03 -0.04 0.01 -0.04 0.04 -0.13 0.12 0.06 0.05 0.13 0.10 0.04 -0.09 -0.13 0.17 0.05 -0.10 0.13 -0.20 -0.00 -0.09 -0.08 -0.23 -0.07 0.02 0.02 -0.09 -0.03 -0.01 0.22 -0.05 0.03 0.04 -0.05 0.02 -0.18 -0.04 -0.00 0.02 0.04 0.23 0.01 0.02 0.06 -0.03 0.02 0.03 0.07 0.17 -0.00 -0.03 0.26 -0.08 0.00 0.13 -0.03 0.06 -0.03 0.04 0.01 -0.02 0.12 0.04 -0.09 0.03 0.06 -0.06 -0.13 0.01 -0.04 -0.07 -0.03 0.03 0.03 -0.03 0.00 0.03 -0.03 -0.01 -0.15 0.06 -0.08 -0.04 -0.02 0.02 -0.05 -0.03 -0.04 -0.01 -0.01 -0.07 0.01 -0.03 -0.06 -0.04 -0.07 -0.06 -0.08 -0.05 0.06 0.08 0.04 0.01 0.04 0.08 0.30 -0.03 -0.09 0.26 -0.06 -0.02 0.36 -0.12 0.05 0.13 -0.03 -0.08 0.04 -0.03 0.07 -0.09 0.23 0.06 -0.05 -0.16 -0.04 0.03 0.07 -0.10 0.05 0.03 -0.07 0.02 0.02 -0.03 0.02 0.04 -0.05 -0.06 -0.12 0.05 0.10 -0.10 -0.00 -0.13 0.03 -0.03 -0.05 -0.11 -0.02 -0.08 0.02 -0.11 -0.09 0.02 0.03 0.08 -0.04 -0.13 0.03 -0.00 0.02 0.04 0.01 0.08 0.02 -0.08 -0.01 0.01 -0.01 0.01 0.01 0.03 0.19 0.01 0.07 0.04 0.10 -0.00 0.08 -0.17 0.06 0.02 0.01 0.04 0.07 0.06 -0.16 -0.04 -0.01 0.06 -0.00 -0.05 0.01 -0.01 -0.05 -0.07 -0.01 0.03 0.01 -0.01 0.01 0.03 -0.00 0.03 0.10 -0.02 0.04 0.08 0.01 0.00 -0.03 -0.00 -0.03 -0.01 -0.05 -0.03 -0.04 -0.07 -0.08 -0.10 -0.04 0.05 0.05 -0.01 0.04 0.08 0.09 -0.00 0.03 0.29 -0.03 0.11 -0.18 0.14 0.00 0.11 0.29 0.01 0.18 -0.36 0.14 -0.04 -0.26 -0.09 0.08 0.09 -0.35 -0.04 -0.06 0.05 0.01 0.04 0.07 -0.04 0.08 -0.01 -0.07 -0.03 0.06 0.00 0.06 0.08 -0.01 -0.05 -0.08 0.06 0.05 -0.07 0.03 -0.10 0.02 -0.02 -0.04 -0.09 0.00 -0.02 -0.01 0.05 0.09 0.08 -0.03 -0.03 -0.07 0.01 -0.01 -0.00 -0.02 -0.01 0.01 -0.03 -0.01 0.06 -0.01 -0.08 0.01 -0.01 0.04 0.03 -0.08 -0.02 -0.01 -0.01 -0.07 0.01 -0.03 0.05 -0.02 -0.00 -0.02 0.14 -0.01 0.01 -0.15 0.03 -0.01 0.19 0.00 0.05 -0.12 0.03 0.03 -0.09 -0.05 0.03 0.08 -0.01 -0.10 0.06 -0.00 -0.02 0.03 0.01 -0.04 0.13 -0.02 0.03 -0.07 0.02 -0.05 0.00 0.07 0.04 -0.14 0.08 0.07 -0.15 -0.00 -0.01 -0.01 -0.03 0.11 0.08 0.08 0.02 0.05 -0.12 -0.00 -0.03 0.08 -0.09 0.00 -0.04 -0.16 0.01 -0.06 0.11 -0.05 0.02 0.09 0.03 0.01 0.04 -0.38 0.02 0.07 -0.23 -0.06 0.05 0.28 -0.14 0.20 0.02 -0.05 -0.15 0.10 0.01 -0.04 0.11 -0.11 -0.08 -0.21 0.12 0.14 -0.15 0.03 -0.12 0.03 0.08 -0.04 -0.09 0.06 0.05 -0.23 0.01 -0.03 0.02 0.08 0.03 -0.03 0.02 -0.01 -0.01 -0.04 -0.01 -0.01 -0.00 -0.01 0.02 -0.02 0.06 0.12 0.03 -0.04 -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.05 0.00 0.00 -0.06 -0.01 -0.01 0.08 -0.01 0.02 -0.06 -0.04 0.03 0.00 -0.00 -0.12 0.00 0.04 0.05 -0.10 -0.01 -0.01 0.03 0.00 -0.01 0.06 -0.02 -0.05 0.08 0.01 0.09 0.00 -0.03 0.04 -0.07 -0.03 0.04 -0.04 -0.01 -0.03 -0.01 0.07 -0.09 -0.15 -0.09 -0.02 -0.07 0.01 0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.01 -0.00 0.01 0.02 -0.16 0.01 0.04 -0.10 -0.01 -0.15 -0.28 0.05 -0.39 0.11 0.19 0.26 -0.25 0.01 -0.18 -0.28 -0.01 0.11 0.19 -0.15 -0.17 0.16 -0.05 0.24 -0.06 -0.01 0.09 0.19 -0.07 0.03 -0.13 -0.06 0.01 -0.01 -0.23 -0.21 -0.02 -0.25 0.09 0.05 0.28 0.07 0.08 0.00 0.01 0.16 0.08 0.07 0.10 -0.09 -0.01 -0.01 -0.02 0.06 0.03 -0.00 0.04 -0.02 -0.00 0.05 -0.01 0.09 -0.07 0.04 -0.00 0.03 -0.09 0.07 -0.08 0.01 0.11 -0.07 -0.11 0.06 -0.03 0.01 0.01 -0.03 -0.05 0.02 0.05 -0.05 0.03 0.05 -0.14 0.04 -0.12 -0.06 -0.03 0.02 0.03 -0.04 -0.00 0.03 0.03 -0.07 -0.03 0.02 -0.06 0.03 0.03 0.22 0.04 -0.05 -0.08 -0.14 -0.24 0.01 -0.03 -0.04 0.13 0.01 0.03 0.05 -0.06 -0.02 -0.00 -0.02 -0.01 0.04 -0.01 0.01 0.07 -0.02 0.03 0.02 -0.10 0.13 -0.05 -0.19 -0.05 -0.06 -0.24 0.03 -0.23 0.03 0.11 0.20 -0.15 -0.07 -0.06 -0.19 0.04 0.04 0.11 -0.13 -0.03 0.07 -0.05 0.01 0.03 -0.03 -0.00 0.03 0.03 -0.06 -0.09 0.09 0.04 0.02 0.10 -0.13 -0.00 -0.11 0.03 0.02 0.12 0.02 0.02 -0.06 -0.02 0.01 -0.15 -0.07 -0.01 0.16 0.01 -0.03 0.05 0.03 0.01 0.01 0.07 -0.02 0.02 -0.02 0.01 -0.07 -0.02 -0.02 -0.08 -0.07 -0.01 0.04 -0.02 -0.05 -0.08 0.02 0.06 -0.12 0.07 -0.09 -0.02 -0.07 0.13 -0.08 -0.04 0.00 0.00 -0.03 -0.05 0.08 -0.12 -0.07 0.03 -0.05 0.01 -0.00 0.10 -0.09 -0.03 0.06 0.11 -0.01 0.13 -0.09 0.01 0.08 0.02 0.09 0.07 0.17 0.35 -0.01 -0.02 0.10 0.05 0.03 -0.07 0.07 0.01 0.03 0.15 -0.02 0.06 -0.08 0.04 -0.02 -0.05 -0.04 -0.09 -0.08 0.04 -0.02 0.02 0.23 0.04 -0.05 0.17 -0.02 0.01 0.09 -0.17 -0.12 0.07 0.09 -0.03 0.15 -0.12 0.03 -0.08 0.14 -0.05 -0.01 -0.07 0.25 -0.15 -0.00 0.11 0.11 -0.16 -0.01 0.28 0.04 -0.02 -0.07 0.08 -0.04 -0.01 -0.01 0.01 -0.00 0.04 -0.00 -0.00 -0.04 -0.00 0.05 -0.05 0.00 -0.12 0.07 -0.03 0.02 0.01 0.04 0.04 0.00 0.03 -0.01 0.01 -0.01 0.01 -0.04 -0.01 0.02 -0.04 -0.02 -0.09 -0.00 -0.01 -0.02 -0.04 0.03 -0.12 -0.06 0.00 0.18 -0.02 0.06 -0.04 0.01 0.04 0.03 -0.02 -0.03 0.05 0.02 -0.05 0.02 -0.01 -0.05 0.01 0.04 -0.01 -0.01 -0.04 0.05 -0.14 -0.04 -0.01 0.31 0.01 0.00 0.02 0.04 0.05 0.09 0.17 -0.05 0.03 0.04 0.06 0.04 -0.03 0.05 -0.03 0.02 0.05 -0.00 0.03 -0.08 0.04 -0.00 -0.00 -0.06 -0.03 0.00 -0.23 -0.00 0.10 -0.46 0.07 0.10 0.10 -0.03 0.21 -0.11 -0.02 -0.08 0.11 0.03 0.14 0.10 0.03 0.00 0.07 -0.06 -0.09 0.04 0.09 -0.05 0.00 -0.03 -0.04 -0.04 -0.09 0.08 -0.48 -0.03 -0.01 -0.01 -0.01 0.02 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.02 0.01 -0.06 0.03 -0.02 0.07 -0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 0.01 -0.02 -0.01 -0.00 -0.00 0.01 0.00 -0.03 0.02 -0.02 0.05 0.14 -0.09 0.06 -0.15 -0.09 0.00 -0.00 0.00 0.02 -0.02 0.02 0.01 0.18 0.12 -0.01 -0.14 0.09 -0.09 0.00 -0.02 -0.05 0.00 -0.04 0.09 0.00 -0.01 0.00 -0.04 -0.13 0.02 -0.05 0.13 -0.07 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.01 0.02 -0.05 -0.01 0.01 -0.11 -0.02 -0.16 -0.16 0.29 -0.27 0.13 -0.30 -0.15 0.06 -0.05 0.01 0.15 0.08 0.01 -0.17 0.35 0.20 -0.08 -0.26 0.24 -0.14 -0.01 0.15 0.08 0.03 -0.00 -0.15 0.02 -0.01 0.01 -0.05 0.07 0.04 -0.08 0.00 0.02 -0.01 0.03 0.03 0.07 -0.11 -0.05 -0.04 -0.01 -0.03 0.05 -0.01 -0.01 0.10 -0.15 -0.16 0.00 0.01 0.01 -0.01 -0.01 0.01 0.00 -0.05 0.09 0.06 -0.02 0.17 -0.02 -0.03 0.14 0.00 0.02 -0.03 -0.02 0.02 0.03 -0.02 -0.00 0.01 -0.02 0.01 0.00 0.05 0.06 -0.16 -0.01 0.08 -0.03 -0.01 -0.03 0.01 0.00 0.02 -0.02 -0.02 0.01 -0.10 -0.02 0.02 0.02 -0.01 0.06 -0.04 0.02 0.04 0.07 0.13 -0.02 0.00 0.09 -0.15 -0.16 -0.00 -0.13 0.22 -0.05 0.24 -0.16 0.03 0.26 -0.13 -0.10 -0.19 0.24 -0.00 -0.02 0.42 0.03 0.05 -0.19 0.02 0.01 0.07 -0.04 0.05 -0.01 -0.05 -0.04 0.04 0.02 0.03 0.05 -0.03 0.02 0.03 -0.03 -0.06 0.02 -0.01 0.06 -0.04 -0.01 0.02 0.03 -0.05 0.03 -0.30 -0.04 -0.03 -0.02 -0.06 0.01 -0.00 -0.01 -0.01 -0.02 -0.07 0.02 -0.00 0.11 0.02 0.10 -0.04 -0.01 -0.00 0.10 -0.03 -0.02 -0.06 -0.01 -0.02 -0.02 -0.06 0.02 -0.03 0.04 -0.03 0.12 0.01 -0.01 0.14 0.07 -0.05 0.04 0.02 -0.08 0.09 -0.05 -0.02 0.01 -0.01 -0.01 -0.07 -0.01 0.03 -0.06 0.01 -0.00 0.03 0.01 0.06 0.01 0.03 0.00 -0.07 -0.09 0.02 -0.03 0.08 -0.07 0.00 0.01 0.05 -0.02 -0.03 0.02 -0.02 -0.02 0.02 0.01 0.12 0.23 0.38 -0.06 0.01 -0.15 -0.01 -0.05 0.09 -0.06 -0.02 -0.06 -0.17 0.02 -0.07 0.15 -0.08 0.01 0.06 0.07 0.19 0.06 -0.18 0.08 -0.05 0.01 0.03 0.03 0.18 -0.16 0.13 -0.02 -0.20 -0.07 0.07 0.06 0.09 0.14 -0.08 0.10 0.13 -0.18 -0.20 0.10 -0.11 0.25 -0.15 -0.05 0.09 0.16 0.03 0.01 0.12 0.05 0.02 -0.02 0.01 0.08 0.01 -0.03 0.01 -0.01 0.01 0.02 -0.00 -0.00 -0.14 0.23 0.00 -0.00 0.01 -0.04 0.01 0.01 0.08 -0.10 -0.13 0.00 0.03 -0.00 -0.01 0.02 0.00 -0.05 -0.04 0.01 0.02 -0.03 -0.12 -0.05 0.01 -0.18 -0.04 0.05 -0.02 -0.01 0.04 -0.05 0.01 -0.01 0.01 0.04 -0.02 0.00 0.01 -0.02 0.08 -0.04 0.07 -0.03 0.02 0.04 -0.01 0.03 -0.04 0.04 -0.03 -0.03 0.09 -0.00 0.03 0.03 -0.00 -0.00 0.04 0.00 -0.05 -0.12 -0.18 0.03 -0.00 0.05 0.04 -0.16 0.04 -0.12 0.21 -0.08 0.25 -0.20 0.07 0.29 -0.15 -0.11 -0.17 0.20 -0.01 0.06 -0.38 -0.01 0.04 0.04 -0.03 -0.03 -0.05 0.05 -0.06 0.03 0.13 0.04 -0.04 -0.02 -0.08 -0.08 -0.00 -0.06 -0.09 0.10 0.10 -0.06 0.08 -0.14 0.08 0.04 -0.05 -0.08 -0.08 -0.07 0.23 -0.04 -0.14 -0.02 0.09 -0.07 0.00 -0.06 0.02 0.00 0.01 0.03 0.01 0.12 0.06 -0.01 -0.02 -0.06 -0.05 -0.05 0.03 0.01 -0.06 -0.01 -0.01 -0.03 -0.08 0.03 -0.04 0.02 -0.03 0.09 0.09 0.04 0.13 0.01 0.02 -0.01 0.05 0.01 0.05 0.08 0.02 -0.04 0.09 -0.00 0.03 -0.02 0.03 0.05 -0.10 0.00 0.02 -0.03 -0.03 0.02 -0.08 -0.04 0.04 0.06 -0.01 0.06 -0.07 0.06 -0.17 0.19 0.02 -0.18 0.07 -0.00 -0.01 0.02 0.02 0.02 -0.07 -0.19 -0.26 0.06 -0.01 -0.18 -0.07 -0.04 0.07 -0.05 -0.05 -0.04 -0.24 0.08 -0.11 0.11 -0.07 0.03 0.07 0.06 0.21 -0.07 0.08 0.05 0.09 -0.04 -0.05 -0.05 -0.03 0.12 -0.04 0.02 0.18 -0.08 -0.02 -0.01 -0.16 -0.08 -0.02 -0.09 -0.16 0.20 0.18 -0.10 0.10 -0.18 0.11 0.12 -0.06 -0.09 -0.24 0.16 -0.00 -0.12 0.04 -0.01 0.01 -0.05 0.00 -0.06 -0.04 -0.03 -0.07 0.04 0.01 0.01 0.00 -0.00 -0.07 0.03 -0.00 0.00 -0.00 0.01 0.01 -0.04 -0.05 -0.00 -0.03 0.02 -0.02 -0.01 -0.01 -0.06 0.10 0.06 0.00 -0.08 -0.01 0.13 0.19 0.01 -0.14 -0.10 -0.01 -0.08 -0.13 -0.09 0.00 -0.02 0.03 0.01 0.12 0.00 0.11 -0.05 0.01 0.15 -0.00 -0.03 0.03 0.01 0.01 0.00 0.01 0.01 0.18 0.16 0.01 0.06 -0.10 0.08 0.02 -0.01 0.01 0.04 -0.08 -0.09 -0.12 0.01 -0.00 -0.04 -0.05 -0.07 0.04 -0.08 0.07 -0.03 -0.02 -0.02 -0.01 0.11 -0.07 -0.04 -0.07 0.09 -0.00 -0.08 -0.01 -0.28 -0.14 -0.00 -0.01 -0.03 -0.14 0.09 -0.15 0.08 0.10 0.16 -0.04 -0.03 0.03 -0.08 -0.04 -0.07 -0.11 0.16 0.08 -0.05 0.13 -0.15 0.07 -0.12 -0.04 -0.17 0.43 0.24 -0.02 -0.07 -0.07 -0.01 0.10 -0.02 -0.00 -0.03 0.02 0.01 0.05 0.01 0.01 -0.01 -0.01 0.05 0.15 0.01 0.08 -0.01 -0.00 -0.02 0.02 -0.04 -0.05 -0.01 -0.03 0.02 -0.02 -0.01 -0.01 -0.07 0.13 -0.02 -0.05 -0.11 -0.03 -0.05 0.10 0.03 -0.05 0.17 -0.01 0.11 -0.01 0.07 0.02 0.06 -0.09 -0.02 -0.08 0.00 -0.02 -0.08 -0.04 -0.02 -0.04 0.00 -0.02 -0.00 -0.02 -0.04 -0.00 -0.02 0.04 0.03 0.02 0.02 -0.06 -0.08 0.00 0.03 0.01 -0.07 0.09 0.16 0.20 -0.03 0.01 -0.04 -0.01 -0.07 0.04 -0.08 0.08 -0.04 0.00 -0.04 0.01 0.11 -0.07 -0.05 -0.08 0.09 -0.01 -0.14 -0.02 -0.17 0.12 0.06 0.04 0.08 0.09 -0.13 0.16 -0.12 -0.19 -0.10 0.04 0.00 0.05 0.11 0.16 0.14 0.22 -0.29 -0.16 0.10 -0.20 0.23 -0.11 0.10 0.06 0.23 0.23 0.08 0.07 0.01 0.01 -0.01 0.03 0.01 0.11 0.02 0.05 -0.03 0.04 0.00 -0.06 0.01 0.05 -0.17 0.04 0.02 0.06 -0.00 0.00 -0.01 -0.02 0.03 0.04 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 -0.02 -0.04 0.50 -0.00 -0.03 -0.01 -0.05 0.01 -0.14 0.01 0.06 -0.07 0.05 0.02 -0.16 -0.01 -0.01 0.03 -0.01 -0.01 0.01 -0.06 -0.06 0.07 -0.06 0.04 -0.34 -0.04 -0.02 -0.01 -0.01 0.00 -0.01 0.02 -0.08 0.05 0.03 -0.03 0.04 -0.02 -0.07 0.18 -0.02 0.06 0.05 0.08 -0.01 -0.00 0.02 -0.08 0.07 -0.08 0.05 -0.07 0.06 -0.06 0.11 -0.06 -0.12 0.07 0.07 0.11 -0.08 0.04 -0.10 0.16 -0.02 0.12 -0.49 -0.00 -0.01 0.07 -0.08 0.00 0.03 -0.02 0.03 -0.01 -0.03 -0.01 -0.01 -0.04 0.04 0.03 -0.08 -0.05 0.01 -0.03 0.05 -0.03 0.02 0.02 0.05 0.07 -0.05 -0.05 -0.02 -0.01 0.03 -0.03 -0.00 0.01 -0.01 -0.03 -0.02 -0.03 0.02 -0.00 -0.01 -0.01 -0.00 -0.05 -0.02 -0.08 0.02 -0.01 0.01 0.00 0.00 0.01 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.01 -0.04 0.09 -0.00 0.01 -0.00 0.04 0.02 -0.07 -0.02 -0.03 -0.11 -0.04 -0.07 0.44 0.01 0.02 -0.03 -0.01 0.05 -0.00 0.05 0.01 0.03 0.06 0.03 -0.05 0.05 0.02 0.01 -0.01 0.01 -0.00 0.01 0.01 0.11 0.00 0.05 -0.34 0.02 -0.02 0.02 0.03 -0.08 -0.03 -0.05 0.01 -0.01 0.01 -0.00 0.02 -0.02 0.02 -0.02 0.01 0.02 -0.00 0.00 -0.02 0.01 0.01 0.02 -0.02 -0.03 0.03 0.00 0.02 0.07 -0.66 0.01 0.01 -0.11 0.08 -0.04 -0.02 0.03 -0.00 0.02 -0.02 0.06 -0.01 0.05 -0.02 -0.01 0.09 0.04 -0.00 0.04 -0.06 0.03 -0.08 -0.02 -0.08 0.01 -0.02 0.30 -0.02 -0.03 -0.01 -0.06 -0.03 -0.00 0.04 -0.05 0.00 -0.05 -0.03 0.01 -0.12 -0.02 -0.04 0.09 0.02 0.09 -0.02 0.00 -0.01 0.02 -0.02 -0.05 0.04 0.01 -0.00 0.01 -0.04 0.04 0.03 -0.09 0.09 -0.13 0.07 0.03 0.13 0.03 -0.07 0.07 -0.12 -0.03 -0.02 0.01 -0.05 0.04 0.05 -0.08 -0.00 -0.14 0.00 0.02 0.09 0.07 0.11 0.02 0.01 0.01 0.03 -0.03 0.00 -0.05 0.01 -0.06 0.22 0.04 -0.09 0.06 0.03 0.01 -0.00 -0.08 -0.05 0.05 0.07 0.09 -0.01 -0.00 0.16 0.04 -0.01 0.04 -0.10 0.17 -0.01 0.19 -0.14 0.14 -0.06 0.04 -0.09 -0.13 -0.03 -0.26 0.20 -0.08 0.15 -0.10 -0.06 0.02 0.06 0.03 -0.07 0.11 -0.09 -0.10 -0.13 0.02 0.02 -0.08 0.06 0.18 0.10 0.15 -0.18 -0.08 0.05 -0.15 0.15 -0.07 0.20 0.03 0.22 -0.17 0.18 0.06 0.01 -0.02 -0.00 -0.04 0.06 0.01 -0.10 -0.14 -0.08 -0.10 0.16 0.05 -0.01 -0.08 -0.01 0.03 0.02 0.04 -0.00 0.00 -0.01 -0.04 0.02 0.11 -0.06 0.04 -0.05 0.04 0.09 -0.04 -0.06 -0.06 -0.04 0.04 -0.11 -0.03 0.00 -0.05 0.03 -0.04 0.05 0.02 -0.02 0.05 -0.03 0.02 0.03 -0.05 -0.00 -0.07 0.00 0.21 -0.04 0.00 0.10 0.08 -0.01 0.01 0.02 -0.02 0.01 -0.03 0.01 -0.04 -0.05 -0.02 -0.02 0.03 0.02 0.17 -0.03 0.05 -0.01 0.02 0.02 0.04 -0.01 -0.00 -0.00 -0.05 0.14 -0.31 0.21 -0.24 0.16 -0.01 0.23 -0.24 -0.11 0.09 0.27 0.39 -0.11 -0.04 -0.05 0.02 0.01 0.06 0.10 0.01 0.04 -0.00 -0.03 0.05 -0.04 -0.03 -0.04 -0.00 -0.00 -0.06 0.01 0.09 0.06 0.07 -0.08 -0.03 0.02 -0.05 0.06 -0.02 0.10 0.00 0.10 -0.17 -0.08 -0.07 0.06 0.09 0.03 0.02 0.11 0.07 0.01 0.11 -0.06 0.07 -0.00 -0.11 0.00 -0.03 0.09 0.02 0.01 0.03 -0.01 -0.01 0.00 -0.00 0.00 0.02 -0.01 0.02 -0.01 0.01 0.01 -0.01 0.06 -0.02 -0.19 -0.02 -0.10 -0.11 0.01 0.01 0.25 0.06 -0.29 -0.02 -0.07 -0.11 0.03 0.02 0.05 -0.07 0.01 -0.05 -0.00 -0.07 -0.09 -0.06 -0.09 0.08 -0.21 0.04 0.03 -0.01 -0.01 -0.02 -0.00 -0.05 0.19 0.01 -0.04 0.05 -0.04 -0.07 -0.13 0.35 -0.02 -0.02 0.03 0.02 -0.01 0.00 -0.05 0.03 -0.01 -0.01 0.04 -0.04 0.00 -0.02 0.02 -0.02 0.04 -0.02 0.02 0.01 0.03 0.05 -0.22 0.19 0.04 -0.33 0.15 -0.00 0.04 -0.05 -0.00 0.03 -0.05 -0.06 -0.06 0.01 0.04 -0.02 0.04 0.14 0.04 0.08 -0.06 -0.02 0.03 -0.08 0.06 -0.03 0.06 0.00 0.09 -0.08 0.22 -0.25 -0.05 -0.07 -0.01 -0.04 -0.09 0.03 0.02 -0.03 -0.07 -0.05 0.03 -0.04 -0.06 0.02 0.03 -0.01 -0.01 -0.03 0.00 0.01 0.00 -0.01 0.02 -0.03 0.04 0.00 0.03 -0.02 -0.03 0.04 -0.03 0.01 -0.09 -0.02 0.14 -0.03 0.04 -0.05 0.13 -0.02 0.16 0.03 0.03 0.08 0.01 -0.01 -0.02 0.03 -0.00 0.02 -0.01 0.05 0.10 0.04 0.11 -0.00 -0.16 -0.02 -0.02 0.01 0.01 0.01 0.00 0.02 -0.08 -0.02 0.01 -0.01 -0.01 0.02 -0.10 0.16 0.01 0.01 -0.03 -0.03 0.01 0.00 0.05 0.12 -0.03 0.35 -0.13 0.14 -0.21 -0.02 -0.27 0.36 -0.02 -0.01 -0.28 -0.28 -0.13 -0.13 0.22 0.08 0.03 0.16 0.15 0.01 -0.02 0.03 0.01 -0.00 0.01 0.02 0.00 -0.00 0.00 0.01 -0.01 -0.07 -0.03 -0.04 0.03 0.02 -0.02 0.03 -0.03 0.02 -0.02 0.00 -0.05 0.00 -0.06 -0.20 -0.07 -0.08 -0.01 -0.02 0.04 0.01 0.02 0.03 0.01 0.01 -0.03 -0.02 -0.07 -0.05 0.03 0.02 -0.02 -0.07 -0.04 0.03 0.02 0.01 -0.04 -0.00 -0.01 -0.02 -0.04 0.02 0.01 -0.01 0.05 -0.03 -0.03 -0.12 -0.07 -0.02 0.06 0.03 0.03 0.13 0.06 0.02 0.09 0.07 0.01 -0.00 -0.08 0.09 0.02 0.06 -0.02 -0.02 -0.01 0.00 0.02 0.04 -0.01 -0.06 -0.08 0.03 0.00 0.06 -0.04 0.04 0.07 0.01 -0.00 -0.01 -0.00 -0.03 -0.01 0.02 -0.03 0.03 -0.01 -0.07 0.03 0.02 0.13 -0.03 0.04 -0.42 0.00 0.05 0.25 0.25 0.18 -0.31 -0.04 0.05 0.24 0.23 0.10 -0.15 -0.05 -0.03 0.25 0.10 -0.01 0.05 -0.06 0.11 0.03 -0.01 0.05 0.02 -0.01 0.02 0.07 0.08 0.03 -0.19 -0.15 -0.12 0.08 0.04 -0.05 0.04 -0.05 0.00 -0.06 0.04 -0.15 0.13 0.10 -0.00 -0.00 -0.01 -0.00 0.00 0.07 0.00 -0.03 -0.04 -0.01 0.00 0.05 0.03 -0.02 0.00 -0.03 0.01 -0.01 -0.03 -0.03 0.01 0.01 -0.02 0.05 0.03 -0.01 0.02 0.02 -0.02 0.02 0.01 0.04 -0.01 0.02 -0.05 -0.12 -0.01 -0.01 0.01 -0.02 0.08 -0.03 0.01 0.04 0.01 -0.00 0.00 -0.03 0.04 0.02 0.02 -0.01 0.01 -0.07 -0.03 -0.04 0.03 0.04 -0.03 -0.04 0.02 -0.00 0.03 -0.03 -0.01 0.02 0.00 -0.01 0.01 0.00 0.06 0.02 -0.02 -0.03 0.02 0.01 -0.02 0.01 0.01 -0.02 0.06 0.03 0.45 -0.05 -0.00 -0.31 -0.21 -0.25 0.45 -0.04 -0.00 -0.31 -0.21 -0.29 -0.02 -0.15 -0.02 0.12 -0.01 -0.09 0.03 -0.03 0.05 0.01 -0.01 0.02 0.00 -0.00 0.01 0.04 0.04 0.02 -0.08 -0.08 -0.05 0.03 0.01 -0.02 0.01 -0.01 -0.01 -0.02 0.02 -0.07 -0.00 0.02 0.05 -0.02 -0.02 -0.02 -0.01 0.00 -0.11 0.01 0.06 -0.09 0.01 0.02 -0.11 -0.02 -0.01 -0.03 -0.01 0.01 0.00 0.02 -0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.03 0.10 -0.01 0.03 0.02 0.04 0.02 -0.21 -0.00 0.04 0.01 -0.00 0.03 -0.01 -0.01 0.01 0.00 -0.02 -0.01 0.00 0.03 0.08 -0.34 0.03 -0.05 0.43 -0.00 0.02 -0.01 0.00 -0.02 0.02 0.02 0.01 -0.03 0.00 -0.00 0.04 -0.04 -0.18 0.41 0.02 0.00 -0.01 0.03 -0.01 -0.01 0.06 0.01 0.01 -0.03 -0.03 0.04 0.01 0.06 -0.02 0.02 -0.02 0.02 -0.00 0.01 -0.03 -0.06 0.00 0.36 0.04 0.07 -0.11 -0.03 0.00 -0.02 0.00 -0.01 0.01 0.01 0.01 -0.01 -0.05 -0.02 -0.03 -0.01 0.04 0.00 -0.00 0.00 0.01 0.00 0.01 0.01 0.01 -0.02 0.05 0.01 -0.07 0.45 -0.04 -0.04 -0.01 -0.02 0.05 0.01 0.01 0.03 0.02 0.01 -0.04 -0.01 -0.01 -0.02 0.00 -0.04 0.01 -0.03 0.19 -0.10 -0.08 -0.00 0.00 0.03 -0.02 0.00 -0.01 0.00 0.03 -0.01 0.04 -0.02 -0.03 -0.05 -0.07 -0.01 0.04 0.00 0.02 0.07 0.04 0.06 0.02 0.06 -0.02 -0.10 0.05 0.03 -0.09 -0.01 0.01 -0.01 -0.04 0.01 0.01 0.04 -0.02 -0.01 0.20 -0.01 -0.02 -0.15 0.14 0.05 -0.01 -0.01 0.02 -0.01 0.00 -0.04 0.02 -0.03 0.20 -0.07 -0.11 0.15 -0.07 -0.10 0.05 -0.00 0.04 0.04 -0.02 0.00 -0.06 -0.02 -0.05 0.10 -0.02 0.01 -0.04 0.02 -0.12 -0.03 -0.09 -0.04 0.16 0.11 -0.21 -0.31 -0.03 -0.22 0.07 -0.13 0.09 0.01 0.04 -0.04 -0.27 0.01 -0.12 -0.13 0.28 -0.07 0.11 0.08 0.03 -0.00 0.06 0.03 -0.10 -0.17 0.35 0.12 0.01 0.03 0.01 0.01 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.03 0.02 0.03 -0.00 0.01 -0.04 -0.09 0.01 -0.05 0.08 -0.04 0.00 0.01 0.02 0.03 0.01 0.01 -0.01 0.01 -0.00 -0.01 -0.00 -0.05 -0.00 -0.02 0.02 -0.02 0.02 0.00 0.02 0.00 -0.02 -0.00 -0.00 -0.00 -0.02 -0.01 -0.00 -0.01 0.02 0.02 0.01 -0.01 -0.02 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.03 0.01 -0.00 -0.01 0.00 0.49 0.12 0.17 -0.14 -0.29 0.33 0.02 0.21 -0.04 0.13 -0.18 0.08 -0.06 0.21 -0.41 0.04 0.01 -0.01 -0.03 -0.06 0.29 -0.06 0.00 -0.09 0.04 -0.05 0.03 -0.06 -0.03 0.02 0.08 0.06 0.06 -0.02 -0.06 -0.04 0.07 0.05 -0.01 -0.05 0.05 -0.04 0.01 -0.01 0.07 0.01 0.01 -0.05 -0.01 -0.01 -0.00 -0.01 0.01 0.00 0.01 0.04 0.02 0.01 -0.04 -0.01 0.02 -0.03 0.00 -0.02 -0.03 0.03 0.02 0.09 -0.03 0.01 -0.01 0.04 -0.05 -0.03 -0.01 -0.01 0.06 -0.02 -0.01 -0.01 -0.03 0.03 -0.01 0.00 0.02 -0.00 0.01 -0.02 0.00 0.06 -0.02 0.01 -0.02 0.05 -0.05 -0.03 -0.07 -0.01 0.05 0.01 -0.01 0.00 0.02 0.01 -0.00 0.06 -0.05 -0.06 -0.04 0.04 0.05 0.02 0.00 -0.01 0.00 0.00 0.00 -0.05 0.01 -0.01 0.02 0.03 -0.05 -0.04 0.02 -0.00 0.20 0.01 0.10 -0.02 -0.10 0.08 -0.06 0.05 -0.06 0.14 -0.07 0.03 -0.04 0.11 -0.25 0.03 -0.01 -0.01 0.02 0.07 -0.28 0.18 0.01 0.28 -0.17 0.18 -0.11 0.19 0.10 -0.06 -0.18 -0.20 -0.16 0.16 0.19 0.17 -0.25 -0.15 0.04 0.15 -0.19 0.14 -0.06 0.02 -0.28 0.01 -0.00 0.04 0.03 0.03 0.01 0.04 -0.02 -0.00 -0.02 -0.13 -0.06 -0.01 0.13 0.05 -0.04 0.09 0.03 0.02 -0.03 -0.02 0.05 0.01 -0.05 0.02 0.04 -0.10 0.08 -0.07 0.04 -0.07 -0.06 0.00 0.05 0.06 -0.02 -0.05 0.04 0.00 -0.07 0.01 0.01 0.06 -0.07 0.06 0.05 -0.03 -0.02 0.00 -0.04 0.03 -0.04 0.04 0.03 -0.06 0.01 -0.01 -0.11 -0.04 -0.01 -0.00 0.02 -0.03 -0.06 -0.00 0.06 -0.04 0.00 -0.02 -0.01 -0.01 -0.00 0.17 -0.02 0.03 0.03 0.02 -0.01 0.08 -0.02 -0.03 0.16 0.17 -0.07 -0.20 -0.20 0.31 0.24 0.24 0.11 -0.24 -0.06 0.02 0.01 -0.01 0.15 -0.04 0.03 0.01 0.01 -0.01 -0.39 -0.02 -0.04 0.12 -0.04 0.03 0.00 0.13 0.09 -0.03 -0.18 -0.03 -0.13 -0.04 0.17 0.03 -0.07 -0.06 0.03 0.10 -0.09 0.08 -0.15 -0.04 -0.08 0.01 0.00 0.09 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 -0.01 0.01 -0.02 -0.01 -0.03 -0.01 0.06 0.02 -0.01 -0.02 0.01 -0.02 0.02 0.02 0.00 0.00 -0.02 0.01 0.02 -0.01 0.06 -0.02 -0.02 -0.00 0.01 0.00 -0.02 0.03 0.02 -0.14 0.02 0.01 0.05 -0.01 -0.04 -0.01 -0.04 0.02 0.00 -0.01 -0.01 -0.01 -0.01 0.01 0.01 0.03 0.02 -0.03 -0.04 0.01 0.05 -0.00 0.00 0.03 -0.00 0.00 0.00 0.01 -0.00 0.00 0.11 -0.09 -0.13 -0.11 0.01 -0.01 -0.07 -0.00 -0.03 0.03 0.04 -0.03 0.03 -0.03 0.03 -0.05 0.00 0.00 -0.00 -0.05 0.08 -0.02 -0.03 -0.01 0.01 -0.14 0.81 0.01 -0.02 0.16 -0.12 0.10 -0.06 0.05 0.05 -0.03 -0.06 -0.05 -0.06 0.05 0.15 0.06 -0.12 -0.03 0.02 0.05 -0.13 0.11 -0.12 -0.03 -0.13 0.00 0.03 -0.17 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.03 -0.03 -0.08 -0.02 -0.09 -0.01 -0.01 0.01 -0.01 0.01 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.03 0.01 -0.01 0.01 0.04 0.03 0.05 0.04 0.01 0.07 0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 0.02 -0.02 -0.04 0.01 0.01 -0.01 0.01 0.01 -0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.27 0.25 0.41 0.50 -0.13 -0.01 -0.01 -0.02 0.01 0.01 0.02 -0.03 -0.02 -0.01 -0.01 0.02 0.01 0.00 0.01 0.00 -0.01 -0.01 0.01 -0.00 -0.01 -0.03 0.17 -0.08 -0.02 -0.13 0.21 -0.11 0.09 0.32 0.09 -0.02 -0.09 -0.14 -0.14 -0.00 0.08 0.03 0.09 -0.16 0.06 0.20 0.01 -0.02 -0.10 -0.02 -0.05 -0.02 0.02 -0.06 -0.02 -0.03 -0.00 -0.04 0.07 0.01 -0.00 0.04 0.02 0.00 -0.04 -0.01 0.02 0.08 0.01 -0.10 0.03 0.03 -0.05 0.01 0.01 0.03 0.18 -0.11 0.13 -0.04 0.11 -0.18 -0.07 -0.04 0.02 -0.02 -0.00 -0.03 -0.11 -0.02 0.07 -0.05 -0.01 0.00 0.02 -0.00 -0.08 0.06 0.01 0.01 0.06 -0.04 -0.01 -0.07 0.02 0.05 -0.06 -0.01 0.08 0.06 0.02 0.04 -0.04 0.00 0.06 0.01 -0.02 0.04 -0.10 -0.01 0.01 0.03 0.01 -0.05 0.01 -0.01 -0.08 0.07 0.08 0.06 -0.01 0.02 0.05 0.26 -0.11 0.06 -0.11 0.23 0.25 -0.08 0.29 -0.32 -0.16 0.03 -0.17 -0.10 0.10 0.12 -0.24 -0.01 0.10 0.05 0.03 0.05 0.07 -0.17 0.04 -0.04 0.00 0.05 -0.01 -0.02 0.02 -0.18 -0.02 0.15 -0.09 0.06 0.04 -0.05 0.01 0.06 0.03 -0.03 0.19 0.05 -0.01 -0.09 -0.14 -0.04 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.07 0.03 -0.01 -0.11 0.06 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.01 0.03 0.02 0.03 0.01 0.01 0.01 -0.02 -0.10 0.02 -0.04 0.09 0.01 0.02 -0.00 -0.00 0.01 0.00 0.01 -0.03 0.09 0.10 -0.02 -0.04 0.10 -0.08 0.00 0.02 -0.08 -0.00 0.00 0.03 0.00 0.00 -0.00 -0.03 -0.31 0.13 -0.06 -0.12 0.07 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.02 -0.00 0.01 0.08 0.05 -0.02 -0.28 -0.03 0.01 -0.16 0.00 -0.03 0.13 -0.04 0.05 0.26 -0.11 0.08 0.29 0.07 0.15 -0.05 -0.02 0.07 0.04 -0.10 0.00 -0.28 0.01 -0.22 -0.01 -0.07 0.53 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.02 -0.02 0.00 0.05 -0.03 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 0.01 0.00 -0.01 -0.00 -0.01 0.05 -0.01 -0.01 -0.04 -0.00 -0.01 0.04 0.04 -0.01 0.02 -0.04 -0.00 -0.01 0.00 -0.00 0.02 0.00 0.01 -0.05 -0.03 -0.04 0.01 0.01 -0.04 0.04 0.00 0.02 -0.14 -0.00 -0.01 0.04 -0.00 0.00 -0.01 0.01 0.14 -0.05 0.03 0.05 -0.03 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.01 0.01 -0.00 0.03 -0.04 -0.06 0.20 0.11 0.01 -0.01 0.07 -0.00 0.01 -0.05 0.02 -0.02 -0.11 0.04 -0.04 -0.11 -0.03 -0.06 0.03 0.00 -0.02 -0.01 0.04 0.00 0.11 -0.00 0.08 -0.01 -0.13 0.89 0.04 0.03 0.01 -0.03 0.00 0.00 -0.00 0.06 0.03 -0.02 -0.06 -0.03 0.01 -0.01 -0.00 0.18 -0.05 -0.03 0.03 -0.03 -0.02 0.02 0.09 -0.03 0.06 -0.00 0.05 -0.08 -0.01 -0.02 -0.08 0.00 -0.01 0.03 -0.04 0.00 -0.02 -0.02 -0.00 -0.06 -0.01 0.01 0.08 -0.07 -0.01 0.02 -0.11 0.07 0.08 0.11 -0.03 0.14 -0.00 0.00 0.13 0.03 0.01 -0.07 0.07 -0.02 -0.10 -0.02 0.02 -0.12 0.02 -0.00 -0.06 0.00 -0.00 -0.08 0.00 -0.00 0.03 -0.06 -0.02 -0.01 -0.01 -0.03 0.01 0.09 -0.03 0.08 0.01 0.03 0.09 -0.09 0.14 -0.13 -0.11 0.03 -0.08 -0.00 -0.03 0.01 -0.01 -0.06 -0.24 -0.05 -0.13 -0.04 -0.11 0.31 -0.01 0.09 -0.02 -0.03 -0.02 0.06 0.04 0.30 0.06 -0.22 0.16 -0.09 -0.11 0.07 -0.01 -0.12 -0.01 0.01 -0.30 -0.08 0.04 -0.42 -0.07 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.02 0.00 -0.00 -0.00 0.01 -0.01 0.02 0.02 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.13 0.00 0.05 -0.07 -0.04 0.03 -0.01 0.02 -0.08 -0.01 0.00 0.01 -0.04 0.03 -0.15 0.01 -0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.02 0.02 0.06 0.02 0.00 0.03 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 0.01 0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.01 -0.01 -0.04 -0.06 -0.14 0.09 -0.01 0.20 -0.17 -0.03 -0.08 0.12 -0.07 -0.17 0.88 0.01 -0.01 0.03 0.01 -0.00 0.02 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.06 -0.02 -0.02 -0.01 -0.00 -0.00 0.01 0.01 -0.01 -0.01 0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.05 0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.20 -0.01 -0.08 0.11 0.08 -0.06 0.01 -0.02 0.12 -0.00 -0.02 0.00 0.09 0.02 -0.11 -0.00 0.01 -0.01 -0.02 0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.04 0.04 -0.03 -0.01 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.03 0.01 0.01 -0.00 -0.00 -0.01 0.02 -0.04 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.01 0.03 -0.01 0.03 -0.04 0.14 0.14 0.19 -0.08 0.03 -0.33 0.28 -0.01 0.08 -0.20 0.06 -0.14 0.73 -0.03 0.02 -0.05 -0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.08 0.05 -0.03 0.03 0.03 0.01 -0.01 0.00 -0.00 -0.00 0.02 0.01 -0.01 -0.03 -0.01 -0.01 0.07 0.01 0.01 -0.01 -0.00 0.03 0.04 -0.01 -0.04 -0.03 0.01 -0.02 -0.02 -0.04 0.05 -0.02 0.04 0.02 0.08 0.01 -0.05 -0.04 -0.02 -0.03 0.01 0.00 0.03 -0.00 0.00 0.07 -0.04 -0.01 -0.08 0.10 0.03 -0.06 -0.04 -0.06 0.07 -0.00 0.01 0.08 0.01 0.01 0.04 -0.10 -0.01 0.01 0.07 0.05 -0.07 -0.04 -0.01 -0.04 -0.03 -0.01 -0.02 0.00 0.00 0.07 0.14 -0.11 -0.05 -0.17 0.10 -0.02 0.04 0.00 -0.11 -0.10 0.09 -0.05 0.17 -0.15 0.11 0.11 -0.04 0.09 0.01 0.05 -0.05 -0.05 0.04 -0.15 -0.05 -0.03 -0.26 0.02 -0.34 0.02 -0.26 0.18 -0.12 -0.15 0.02 -0.08 0.13 0.04 0.09 -0.01 0.09 0.13 -0.26 0.07 0.05 -0.20 0.17 0.05 0.07 -0.26 -0.23 -0.09 -0.02 0.02 0.01 0.00 -0.01 0.01 0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.01 -0.00 0.07 0.00 0.00 0.00 -0.01 -0.00 -0.04 0.02 -0.04 -0.03 0.01 -0.02 -0.03 -0.04 0.05 -0.02 0.03 0.03 0.06 0.01 -0.04 -0.03 -0.01 -0.00 0.01 0.00 0.01 -0.01 -0.00 0.02 -0.02 0.00 -0.01 -0.04 -0.08 -0.06 0.01 0.09 0.04 -0.01 0.00 0.06 0.01 0.00 -0.01 0.04 0.08 0.04 -0.00 -0.07 -0.04 -0.05 -0.01 -0.02 -0.01 -0.00 -0.01 0.00 0.00 -0.03 -0.18 0.10 0.05 0.22 -0.11 -0.02 0.05 0.00 -0.11 -0.10 0.09 -0.05 0.17 -0.15 0.11 0.13 -0.05 0.09 0.01 0.06 0.00 -0.07 0.02 -0.11 -0.05 0.02 0.03 -0.01 0.21 -0.05 0.19 -0.18 0.16 0.27 -0.10 -0.21 -0.23 -0.19 -0.05 -0.21 -0.11 0.07 0.28 -0.07 0.17 0.19 -0.18 0.06 0.01 0.14 -0.19 -0.10 -0.01 -0.02 -0.02 -0.00 -0.01 0.03 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.01 0.12 0.00 -0.05 0.01 0.01 -0.03 0.00 -0.01 -0.06 -0.03 0.01 -0.03 -0.04 -0.05 0.07 -0.04 0.05 0.03 0.04 0.01 -0.02 -0.03 -0.00 0.06 -0.01 0.00 -0.03 -0.01 -0.00 -0.10 0.03 0.01 0.09 -0.05 0.05 0.12 0.02 -0.04 -0.04 -0.03 -0.01 0.02 0.02 0.00 -0.02 0.05 -0.08 -0.05 -0.07 0.03 0.03 -0.07 -0.01 0.02 0.04 0.01 0.01 0.00 -0.00 -0.03 0.06 -0.01 -0.01 -0.08 0.03 -0.02 0.11 -0.00 -0.17 -0.13 0.12 -0.08 0.25 -0.23 0.17 0.23 -0.10 0.15 0.03 0.09 0.16 -0.17 -0.03 0.02 0.01 -0.01 0.24 0.00 0.08 0.02 0.02 0.03 -0.07 -0.14 0.08 0.32 0.10 0.17 -0.01 0.25 0.04 -0.23 -0.06 0.01 -0.23 -0.02 0.02 -0.09 -0.08 0.10 -0.17 -0.14 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.05 -0.10 0.02 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.08 -0.09 0.07 -0.04 0.11 -0.04 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.13 0.03 -0.05 0.12 -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.14 0.06 0.13 0.07 -0.01 0.04 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.01 -0.24 -0.14 0.20 -0.23 -0.04 0.06 -0.19 0.16 -0.06 -0.19 0.29 -0.06 0.41 0.07 0.21 -0.09 -0.15 0.07 -0.00 0.15 -0.09 0.41 0.03 0.22 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.00 0.01 -0.01 -0.00 0.02 0.09 -0.05 0.01 0.03 -0.01 0.05 -0.02 0.06 -0.08 -0.08 0.03 -0.01 -0.02 -0.00 0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.09 0.01 -0.04 0.08 0.02 0.03 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.08 -0.08 0.06 -0.09 -0.07 0.02 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.04 -0.01 0.06 0.27 -0.14 0.04 0.04 0.00 -0.13 0.22 -0.25 -0.10 0.12 -0.19 0.23 0.34 -0.21 0.23 0.38 -0.21 -0.01 0.01 0.04 0.05 0.02 0.01 -0.12 -0.00 -0.02 -0.12 -0.02 -0.03 0.11 -0.02 0.04 0.07 0.01 0.02 0.10 -0.17 0.02 0.17 0.03 -0.01 -0.12 0.08 -0.05 -0.12 -0.07 0.12 0.02 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.00 0.01 0.00 -0.00 -0.01 -0.09 0.05 0.01 0.03 -0.01 0.05 -0.02 0.06 -0.08 -0.08 0.03 -0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 0.01 0.07 -0.00 0.03 -0.09 -0.02 -0.02 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.07 0.07 -0.05 0.10 0.07 -0.02 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.04 0.02 -0.05 -0.26 0.14 0.04 0.03 0.00 -0.13 0.23 -0.27 -0.10 0.11 -0.18 0.22 0.34 -0.22 0.23 0.38 -0.22 -0.03 0.02 0.04 -0.02 -0.02 0.02 0.08 0.00 0.01 0.12 0.01 0.02 -0.10 0.02 -0.05 -0.11 -0.01 -0.04 -0.09 0.14 -0.02 -0.14 -0.03 0.01 0.15 -0.08 0.05 0.12 0.07 -0.13 0.06 0.03 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.05 0.09 -0.10 -0.02 -0.08 0.04 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.20 0.04 0.07 0.23 -0.24 0.34 0.25 -0.39 0.48 0.18 0.34 -0.20 0.15 0.17 -0.08 0.04 -0.02 -0.05 -0.01 0.00 -0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.01 -0.01 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.02 0.00 0.00 -0.04 -0.03 -0.01 -0.02 0.04 0.01 0.01 -0.03 -0.01 0.03 0.04 0.02 0.02 0.01 0.00 0.10 -0.03 0.01 0.01 -0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.01 0.01 0.01 0.02 -0.00 -0.01 -0.05 -0.01 0.03 0.01 0.01 0.20 -0.06 -0.00 -0.12 0.04 0.01 0.01 -0.02 -0.01 -0.04 0.01 -0.02 -0.05 0.00 -0.02 -0.17 -0.02 -0.01 -0.03 0.02 0.00 -0.01 -0.02 0.05 0.01 0.06 0.01 0.03 0.06 0.01 0.06 0.04 0.01 0.03 -0.00 -0.00 0.01 0.02 0.01 0.04 -0.04 0.01 -0.02 -0.02 -0.01 -0.03 0.03 -0.04 -0.04 0.05 -0.06 -0.02 -0.06 0.04 -0.02 -0.02 0.00 0.31 -0.20 -0.06 -0.27 -0.00 -0.02 -0.19 -0.03 0.00 0.06 0.03 -0.04 -0.01 -0.04 -0.00 -0.20 0.13 -0.06 -0.05 -0.11 -0.04 0.17 -0.00 0.02 0.15 -0.05 0.05 0.00 0.05 -0.13 -0.64 -0.14 -0.02 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.01 0.01 0.01 -0.00 -0.01 -0.00 -0.03 0.01 -0.03 0.04 0.01 0.00 0.00 -0.00 -0.01 -0.09 0.04 0.03 -0.00 -0.03 0.02 0.06 -0.02 -0.04 -0.04 -0.06 -0.01 0.06 0.00 0.00 -0.02 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 0.02 0.00 -0.02 -0.01 -0.01 -0.01 -0.01 -0.02 0.04 -0.02 -0.00 -0.03 -0.01 -0.00 0.00 0.00 0.02 0.00 0.02 0.01 0.01 0.02 0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 -0.01 0.00 0.03 0.03 -0.02 -0.00 0.48 0.44 0.18 -0.14 0.06 -0.09 -0.01 0.03 -0.01 -0.00 0.26 -0.18 -0.11 -0.37 0.36 0.08 -0.01 -0.00 0.12 0.03 0.00 -0.06 -0.02 0.04 0.01 0.03 -0.03 0.01 -0.05 0.01 -0.05 0.06 -0.01 -0.02 -0.03 -0.02 0.07 -0.00 0.01 0.06 -0.02 0.03 0.01 0.02 -0.05 0.19 0.08 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 0.02 -0.01 0.02 -0.04 -0.01 -0.01 0.00 0.01 0.02 -0.06 -0.06 -0.09 0.00 0.03 0.06 0.01 0.02 0.00 0.04 0.06 0.01 -0.05 -0.01 -0.00 0.02 0.02 0.00 0.01 0.01 0.00 0.02 -0.02 -0.00 0.02 0.02 0.01 0.01 0.01 0.03 -0.03 0.02 -0.00 0.02 0.01 0.00 -0.01 -0.01 -0.03 -0.00 -0.02 -0.02 -0.02 -0.02 -0.00 0.00 -0.02 -0.00 0.01 -0.00 0.00 0.03 -0.00 -0.05 -0.05 0.03 0.00 0.64 -0.12 0.18 -0.03 0.31 -0.36 -0.01 -0.27 0.16 0.03 -0.03 0.03 -0.08 -0.09 -0.01 -0.06 -0.00 0.00 -0.13 -0.02 -0.04 0.07 0.03 -0.07 -0.01 -0.06 0.06 -0.00 0.08 -0.01 0.05 -0.08 -0.00 0.03 0.03 0.03 -0.11 -0.00 -0.02 -0.08 0.04 -0.04 -0.01 -0.02 0.07 -0.24 -0.09 -0.02 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.03 0.03 0.05 0.11 0.01 -0.03 -0.02 -0.06 0.01 -0.05 -0.07 -0.02 0.02 0.02 0.00 0.02 0.03 0.01 0.06 0.01 -0.04 -0.01 -0.00 -0.03 0.04 0.00 0.01 -0.06 -0.01 -0.08 0.06 0.01 -0.07 -0.11 -0.04 0.02 -0.08 -0.09 0.01 0.01 0.00 0.02 0.00 0.00 0.04 0.05 0.08 -0.00 0.05 0.08 0.02 -0.08 -0.01 -0.00 0.04 0.00 -0.00 -0.00 0.00 -0.14 -0.08 0.23 0.19 -0.07 -0.03 0.15 -0.20 0.00 0.01 0.12 -0.14 -0.03 -0.16 0.08 0.03 -0.12 0.09 0.02 0.09 -0.11 -0.06 0.01 0.01 0.01 -0.07 -0.00 0.03 -0.06 0.23 -0.07 0.19 -0.17 0.02 -0.34 0.07 -0.05 0.25 0.06 -0.14 0.02 -0.09 0.28 0.03 0.06 0.23 -0.13 0.14 0.06 0.06 -0.20 0.12 -0.05 0.00 -0.02 -0.02 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.02 -0.01 0.05 0.17 -0.13 0.03 0.01 0.04 0.00 0.01 0.02 0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.02 0.01 -0.00 0.03 0.00 0.00 0.02 0.02 0.00 -0.02 -0.05 -0.01 0.03 0.03 0.02 -0.09 -0.02 0.12 0.06 -0.13 0.11 0.01 -0.01 -0.00 -0.04 -0.01 -0.00 0.03 -0.02 -0.05 -0.06 0.01 -0.07 0.02 -0.01 -0.00 0.04 0.03 0.01 0.00 0.00 -0.00 0.01 -0.44 0.10 -0.14 0.05 0.02 -0.04 0.04 0.00 0.01 -0.03 0.03 0.01 0.04 -0.01 -0.02 0.03 -0.03 -0.01 -0.02 0.02 -0.04 0.06 0.01 -0.19 -0.11 0.02 0.17 0.05 -0.17 -0.20 -0.16 0.18 0.27 0.01 0.00 -0.21 -0.10 -0.11 -0.12 0.26 -0.00 -0.18 -0.11 0.02 -0.16 -0.01 -0.06 0.26 0.12 -0.08 -0.16 -0.06 -0.01 0.05 0.04 0.01 -0.03 0.01 0.00 0.02 -0.03 -0.01 0.02 0.02 0.01 0.04 0.05 0.01 0.02 0.04 -0.03 0.01 0.01 0.01 0.01 -0.02 -0.05 -0.02 -0.02 -0.00 0.02 0.02 0.04 -0.04 -0.10 -0.02 -0.04 0.01 0.01 -0.03 -0.06 -0.01 -0.02 0.04 0.00 0.01 -0.02 0.00 -0.01 -0.01 0.02 0.01 -0.02 0.03 -0.11 0.02 -0.00 0.15 0.04 0.01 0.00 -0.01 -0.01 -0.01 0.00 -0.02 -0.05 0.02 0.00 -0.10 -0.07 -0.01 -0.00 -0.01 0.00 0.01 -0.09 0.01 -0.04 -0.01 0.02 0.01 -0.02 -0.05 -0.09 0.04 -0.07 -0.02 -0.06 0.03 0.10 -0.06 0.07 -0.00 0.02 -0.04 0.49 -0.41 -0.07 0.04 0.06 0.02 -0.03 -0.01 -0.00 -0.01 -0.04 0.03 0.05 0.03 -0.01 -0.06 -0.02 -0.03 -0.04 0.07 -0.01 -0.03 -0.04 0.01 -0.06 -0.01 -0.01 0.08 0.03 -0.02 0.59 0.21 0.04 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.00 0.02 0.05 -0.07 -0.08 -0.06 0.08 0.07 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 0.01 0.03 -0.02 -0.20 -0.09 -0.05 -0.39 0.09 -0.21 0.39 0.03 0.29 0.42 0.19 -0.03 -0.41 -0.28 -0.08 0.00 0.01 -0.02 -0.02 -0.01 0.01 0.03 0.01 -0.01 -0.03 -0.01 0.01 0.01 -0.04 0.01 -0.01 0.03 0.00 0.02 -0.02 0.00 -0.03 0.03 -0.01 0.05 0.01 -0.01 -0.02 -0.01 0.01 -0.04 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.02 -0.01 -0.02 0.01 -0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.01 -0.01 -0.00 0.02 0.03 0.03 -0.01 -0.01 -0.06 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 -0.01 0.01 0.01 0.01 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 -0.12 0.08 0.07 0.31 -0.16 0.02 0.01 0.01 0.04 -0.01 0.02 -0.03 0.01 -0.03 -0.04 -0.01 -0.00 0.03 0.02 0.01 0.02 -0.02 -0.00 -0.02 0.00 0.01 0.24 0.09 -0.14 -0.28 -0.18 0.17 0.16 -0.32 0.10 -0.17 0.25 -0.03 0.13 -0.11 0.04 -0.29 0.23 -0.10 0.38 0.11 -0.08 -0.18 -0.06 0.05 0.02 0.02 0.00 0.04 0.05 0.01 -0.01 0.01 0.00 0.01 -0.02 -0.01 0.01 0.01 0.01 0.05 -0.07 -0.02 -0.07 0.06 0.01 -0.02 -0.01 -0.03 -0.07 -0.01 0.16 0.12 0.04 -0.03 -0.07 -0.01 -0.11 0.10 0.01 0.00 -0.04 -0.01 -0.00 0.06 -0.02 -0.00 -0.02 0.09 0.01 0.03 -0.05 -0.00 -0.01 -0.05 -0.03 0.03 -0.02 -0.03 -0.06 0.01 -0.00 0.02 0.01 0.00 0.03 0.03 0.03 0.00 -0.00 0.04 -0.05 0.02 0.00 -0.05 -0.13 -0.02 -0.00 0.00 0.00 -0.08 -0.06 0.12 0.08 -0.07 0.01 0.05 -0.22 0.26 0.19 -0.07 0.14 0.15 0.33 -0.14 -0.21 0.25 -0.25 -0.15 -0.14 0.02 -0.15 0.07 0.00 -0.28 0.02 -0.02 0.19 0.03 0.07 -0.10 0.04 -0.06 -0.10 -0.04 0.01 0.13 0.00 0.07 -0.12 0.11 -0.05 0.12 0.01 0.03 0.00 -0.07 0.07 0.09 0.02 -0.04 0.02 0.03 0.01 -0.03 -0.05 -0.01 -0.00 -0.02 -0.00 0.01 -0.01 -0.01 0.01 0.01 0.01 0.04 0.02 0.01 0.09 -0.05 -0.01 0.02 0.00 0.03 -0.04 -0.07 0.09 0.10 0.05 -0.02 -0.06 -0.00 -0.08 -0.03 0.03 0.00 -0.03 0.01 0.00 -0.08 0.03 0.00 0.00 -0.10 -0.02 -0.05 0.08 0.01 0.01 0.03 0.03 -0.02 0.01 0.03 -0.04 0.02 0.00 0.08 0.02 0.00 -0.03 -0.02 -0.03 -0.00 0.01 -0.04 0.03 -0.07 -0.01 0.02 0.16 0.03 -0.01 -0.00 0.00 0.09 0.15 -0.15 -0.06 0.05 -0.00 0.10 -0.41 0.22 0.19 0.01 0.04 0.11 0.22 -0.10 -0.17 0.14 -0.16 -0.12 -0.06 -0.07 0.16 -0.14 -0.02 -0.10 -0.14 -0.01 -0.29 -0.08 0.00 0.15 0.01 0.02 0.08 0.02 -0.00 -0.10 -0.01 -0.05 0.17 -0.17 0.07 -0.09 -0.01 -0.03 0.00 0.06 -0.06 -0.17 -0.05 0.04 0.23 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.02 -0.00 0.00 -0.01 -0.00 0.01 0.01 0.00 -0.02 0.01 0.00 -0.03 -0.03 0.02 -0.00 0.00 -0.01 -0.01 -0.04 0.02 0.03 0.02 -0.00 -0.02 -0.00 -0.02 -0.11 0.01 0.00 0.02 0.02 0.01 -0.07 0.07 0.01 0.06 -0.01 -0.00 0.02 -0.06 -0.01 -0.01 0.01 -0.03 -0.00 0.03 -0.01 -0.01 0.01 0.00 0.04 0.00 0.00 0.01 0.00 0.02 -0.00 -0.01 0.01 0.02 0.02 0.00 0.04 -0.01 0.00 -0.01 -0.00 -0.00 -0.05 -0.18 0.12 0.01 -0.04 0.01 0.01 -0.10 0.05 0.07 0.02 -0.01 0.03 0.06 -0.03 -0.06 0.03 -0.04 -0.04 -0.00 -0.04 0.30 -0.20 -0.03 0.59 0.14 0.05 0.20 0.07 -0.07 -0.09 -0.02 -0.00 -0.01 0.02 0.00 -0.04 0.08 -0.01 -0.19 0.15 -0.07 0.06 -0.01 0.02 -0.05 -0.02 0.02 0.23 0.07 -0.04 -0.40 -0.10 -0.02 0.01 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.04 -0.02 -0.01 -0.01 0.12 -0.06 -0.01 -0.02 -0.01 0.01 -0.01 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.05 -0.00 -0.00 0.03 0.01 0.01 0.00 0.06 0.01 0.01 -0.02 -0.00 0.04 0.01 0.01 -0.01 -0.05 0.05 -0.03 -0.07 -0.01 -0.02 0.00 -0.00 0.01 0.00 0.00 0.00 0.03 -0.01 0.03 0.02 0.02 0.00 0.00 -0.00 0.01 -0.07 -0.01 -0.00 -0.00 -0.00 0.04 0.36 -0.15 0.05 0.04 -0.03 -0.02 0.05 -0.01 0.02 0.01 -0.00 -0.00 0.00 -0.00 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.19 -0.11 -0.02 0.16 0.02 0.00 -0.10 -0.08 0.11 -0.05 0.01 0.03 -0.13 0.05 -0.07 0.31 -0.32 0.11 0.30 -0.22 0.10 -0.07 0.08 -0.02 0.16 -0.01 0.02 -0.41 -0.13 0.09 -0.25 -0.07 -0.01 0.04 0.04 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.04 0.01 0.07 0.02 0.01 0.02 0.01 0.03 -0.00 -0.04 0.00 0.02 0.01 -0.00 -0.01 0.00 -0.01 0.02 0.01 0.00 -0.00 -0.01 -0.00 0.09 0.04 0.01 -0.04 0.03 0.00 -0.12 -0.00 0.00 0.01 0.01 0.03 -0.01 -0.00 0.01 0.03 -0.03 -0.00 -0.05 -0.00 -0.00 -0.02 -0.03 -0.04 -0.02 -0.01 -0.04 -0.02 -0.03 -0.01 -0.05 -0.13 -0.03 0.00 0.00 -0.00 0.06 -0.02 -0.08 -0.07 0.05 0.00 0.02 -0.14 0.04 0.03 0.01 -0.01 0.03 0.02 0.00 -0.02 0.02 -0.02 -0.03 -0.00 -0.03 -0.17 0.13 0.02 0.57 0.21 0.08 -0.31 -0.10 0.08 0.31 0.06 -0.03 0.29 -0.19 0.08 -0.22 0.15 -0.06 0.07 -0.05 0.03 -0.09 -0.07 -0.01 0.02 0.07 -0.08 0.02 0.01 -0.00 -0.06 -0.05 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 -0.00 0.05 -0.08 -0.03 0.06 0.08 0.04 0.19 -0.19 -0.04 0.01 0.00 0.01 0.01 0.00 0.01 -0.05 0.15 -0.00 -0.04 -0.04 -0.01 0.04 -0.00 0.04 -0.00 0.02 0.00 -0.06 0.00 -0.01 -0.09 0.14 0.02 0.02 -0.03 -0.01 -0.04 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.16 -0.02 -0.01 0.15 0.04 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.02 0.01 -0.04 -0.01 0.03 -0.01 -0.00 -0.12 -0.00 -0.00 0.02 0.00 -0.03 -0.03 -0.00 0.01 -0.11 0.50 -0.10 -0.15 -0.10 0.09 -0.05 -0.02 -0.01 0.09 -0.02 0.05 0.06 -0.02 0.12 -0.41 0.28 0.04 0.15 0.01 0.01 -0.10 -0.04 0.04 0.13 0.05 -0.04 0.13 -0.09 0.04 -0.10 0.09 -0.03 0.02 -0.01 0.01 0.00 -0.04 0.00 -0.01 0.02 -0.03 0.02 0.00 0.00 -0.24 -0.11 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.02 0.01 0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.02 -0.00 0.01 0.01 0.00 0.00 -0.02 -0.00 -0.01 -0.04 -0.01 0.01 -0.02 0.03 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.06 0.02 0.03 0.00 -0.06 0.01 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.08 0.41 -0.22 -0.05 -0.25 0.13 0.00 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.02 0.33 0.07 -0.01 -0.22 -0.04 0.01 0.26 -0.16 0.08 -0.34 0.20 -0.12 0.14 -0.09 0.06 0.27 -0.09 0.07 -0.31 -0.02 -0.02 -0.18 -0.06 0.02 -0.02 0.01 0.00 0.01 0.01 0.00 0.01 -0.03 -0.00 -0.01 0.02 0.01 -0.02 -0.03 -0.01 -0.10 -0.11 -0.03 -0.03 -0.02 0.04 -0.01 0.03 0.05 0.02 -0.00 0.02 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.08 0.03 0.01 0.03 -0.01 0.00 0.03 0.11 0.01 0.00 -0.03 -0.00 0.02 0.10 0.01 0.00 0.00 -0.03 -0.01 0.03 -0.02 -0.02 0.08 0.01 -0.00 0.01 -0.00 0.01 -0.02 -0.03 0.01 -0.03 -0.03 -0.05 -0.06 -0.01 -0.00 -0.05 -0.01 0.05 -0.00 0.00 0.02 -0.04 -0.03 -0.08 0.00 0.06 -0.07 0.30 -0.07 0.02 0.03 -0.03 -0.00 -0.01 0.02 -0.04 -0.00 0.00 0.00 0.02 -0.02 0.44 -0.34 -0.05 -0.24 -0.11 -0.03 -0.06 -0.02 0.02 0.13 0.07 -0.07 0.24 -0.23 0.10 -0.05 0.07 -0.02 -0.18 0.24 -0.04 0.18 -0.23 0.06 0.13 0.12 -0.12 -0.09 -0.07 0.12 -0.00 -0.05 -0.00 -0.01 -0.01 -0.00 -0.00 0.01 0.00 0.01 -0.01 -0.00 0.01 0.01 0.00 0.04 0.04 0.01 0.00 0.03 0.01 -0.03 0.05 0.07 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.04 -0.01 -0.00 -0.01 0.00 -0.00 -0.03 -0.07 -0.01 0.02 0.03 0.00 0.01 -0.06 -0.00 -0.03 -0.02 -0.01 -0.03 -0.02 -0.02 0.01 -0.02 -0.00 0.00 -0.01 -0.00 0.03 -0.02 -0.04 0.03 -0.03 -0.03 0.03 0.04 0.01 0.01 0.03 0.00 -0.02 0.00 -0.00 0.01 -0.03 -0.03 -0.10 0.08 0.06 0.03 -0.12 0.03 -0.01 -0.01 0.01 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.12 0.09 0.01 -0.00 0.02 0.01 0.04 0.01 -0.03 0.16 0.10 -0.08 0.01 -0.08 0.01 0.06 -0.07 0.01 -0.23 0.37 -0.04 0.23 -0.33 0.10 0.42 0.17 -0.17 -0.39 -0.16 0.24 -0.03 0.03 0.00 -0.02 -0.01 -0.00 -0.01 -0.02 -0.00 -0.10 0.14 0.06 -0.13 -0.17 -0.08 0.10 -0.05 -0.01 -0.04 0.07 0.01 0.02 -0.00 -0.01 -0.02 -0.01 0.02 0.00 0.00 0.00 -0.00 0.01 0.01 -0.03 0.03 0.00 -0.03 -0.02 -0.00 -0.10 -0.09 -0.01 0.06 0.05 0.00 -0.03 -0.14 -0.01 -0.01 -0.03 0.03 0.04 -0.04 -0.00 -0.14 0.06 0.00 0.07 0.03 0.01 -0.02 -0.00 -0.03 -0.02 0.01 0.00 0.07 0.06 0.01 0.03 0.05 0.01 0.37 0.02 0.03 0.02 -0.05 -0.01 0.01 0.07 -0.05 -0.06 0.36 -0.06 0.02 0.00 -0.01 0.03 0.03 0.02 -0.04 0.00 0.01 -0.02 0.00 -0.04 -0.10 0.03 -0.02 0.05 0.05 0.02 -0.19 -0.08 0.10 0.45 0.18 -0.11 0.00 -0.02 0.00 -0.16 0.18 -0.03 0.20 -0.17 0.06 -0.18 0.05 -0.04 0.00 -0.03 0.01 0.05 0.03 -0.04 -0.15 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.04 -0.05 -0.02 0.04 0.05 0.03 -0.05 -0.03 -0.01 -0.09 0.06 0.03 0.02 -0.01 -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.05 0.01 -0.02 -0.01 -0.00 -0.04 -0.09 -0.01 0.09 0.06 0.01 0.00 -0.09 -0.00 -0.00 -0.03 0.02 0.04 -0.03 -0.01 0.09 0.08 0.02 -0.04 -0.03 -0.01 -0.02 -0.00 -0.03 -0.03 0.00 -0.00 0.06 0.05 0.01 0.01 0.02 0.00 -0.13 -0.01 -0.01 0.02 -0.06 -0.00 0.01 0.05 -0.04 0.01 0.00 0.00 -0.01 0.00 0.00 -0.02 -0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.28 -0.25 -0.03 -0.25 -0.04 -0.00 -0.20 -0.09 0.13 0.52 0.20 -0.13 0.10 -0.13 0.06 -0.18 0.21 -0.04 0.23 -0.20 0.07 -0.18 0.06 -0.05 -0.06 -0.03 0.02 0.14 0.06 -0.07 -0.09 0.01 -0.01 0.01 0.00 0.00 -0.02 0.03 0.00 0.00 -0.01 -0.00 0.02 0.02 0.01 -0.06 0.02 -0.01 -0.04 0.04 0.00 -0.00 -0.02 0.01 0.02 -0.11 0.02 0.01 0.02 0.01 -0.02 0.01 -0.00 -0.08 0.07 0.01 0.09 0.02 0.01 0.05 -0.05 -0.00 0.08 0.00 0.00 0.04 -0.04 0.00 0.07 0.01 -0.02 -0.03 0.04 -0.02 -0.06 -0.10 -0.02 0.05 0.00 0.00 0.01 -0.01 0.02 -0.02 -0.02 -0.02 0.05 -0.03 -0.00 -0.10 0.05 0.00 -0.02 -0.00 -0.01 0.03 0.12 -0.07 -0.02 -0.07 0.04 -0.05 0.41 -0.10 0.13 0.08 -0.10 0.08 0.04 0.09 -0.10 0.00 0.01 -0.06 0.03 -0.14 -0.17 0.24 0.03 -0.13 -0.06 -0.01 -0.33 -0.11 0.15 -0.24 -0.08 0.05 0.31 -0.27 0.12 0.13 -0.10 0.03 -0.13 0.06 -0.05 -0.02 0.04 -0.01 -0.01 0.02 -0.04 0.20 0.05 -0.02 0.08 -0.02 -0.01 -0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.01 -0.02 -0.01 0.04 0.00 0.01 -0.01 0.04 -0.01 0.00 -0.02 0.01 -0.01 0.08 -0.02 -0.01 -0.02 -0.01 0.02 -0.01 -0.00 0.01 -0.05 -0.01 -0.05 -0.01 -0.00 -0.05 -0.01 -0.00 -0.03 0.00 0.00 0.02 0.00 0.00 0.06 0.01 -0.02 -0.06 0.05 -0.02 0.03 0.04 0.01 -0.02 -0.00 -0.00 0.01 -0.01 0.02 -0.03 -0.03 -0.01 0.00 0.04 0.01 0.06 -0.01 -0.00 0.02 0.00 0.00 0.04 0.14 -0.08 -0.01 -0.07 0.03 0.06 -0.36 0.09 -0.09 -0.06 0.08 -0.06 -0.03 -0.07 0.08 -0.00 -0.01 0.04 -0.02 0.11 0.06 -0.09 -0.01 -0.04 -0.00 -0.00 -0.33 -0.11 0.14 -0.28 -0.09 0.07 0.39 -0.31 0.14 0.24 -0.18 0.08 -0.12 0.05 -0.05 -0.02 0.05 -0.01 0.01 0.02 -0.04 0.28 0.08 -0.03 -0.10 0.02 0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.02 -0.02 -0.01 0.00 0.00 0.00 0.09 0.02 -0.01 0.08 -0.00 -0.03 -0.00 -0.01 0.00 -0.01 -0.13 0.03 0.01 0.02 0.01 -0.02 0.02 0.01 0.07 0.00 0.00 -0.10 -0.06 -0.02 -0.03 -0.04 -0.01 -0.05 0.03 0.00 -0.09 -0.04 -0.00 -0.00 0.01 0.01 -0.04 0.01 0.00 0.07 0.14 0.03 -0.06 -0.02 -0.01 0.01 0.00 0.02 -0.01 0.00 0.00 0.01 0.03 0.00 0.05 0.01 0.00 -0.04 0.01 0.01 0.01 0.10 -0.04 -0.00 -0.03 0.01 -0.11 0.70 -0.16 0.14 0.09 -0.12 0.10 0.09 0.08 -0.17 0.02 0.02 -0.08 0.04 -0.23 0.04 -0.18 -0.03 0.11 0.08 0.01 0.05 0.02 -0.06 -0.24 -0.08 0.07 0.00 0.03 -0.02 0.16 -0.18 0.04 -0.06 0.04 -0.03 0.01 0.03 0.01 0.07 0.01 -0.01 0.04 0.02 -0.00 -0.01 0.03 0.00 0.02 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.04 -0.16 -0.02 0.09 -0.02 -0.05 -0.01 -0.01 0.00 -0.03 0.13 -0.01 -0.01 -0.02 -0.01 0.02 -0.01 -0.00 -0.02 0.21 0.03 0.02 -0.04 -0.00 0.10 -0.08 -0.01 0.07 0.03 0.00 -0.12 -0.11 -0.01 0.03 0.02 -0.00 -0.01 -0.02 0.02 -0.02 0.11 0.02 -0.04 0.01 -0.00 0.04 -0.01 0.03 0.02 0.02 -0.00 0.08 -0.06 -0.01 -0.16 0.08 0.01 0.01 -0.00 0.00 -0.01 0.11 -0.02 0.00 -0.04 0.02 0.03 -0.28 0.08 -0.14 -0.08 0.11 -0.09 -0.06 -0.08 0.10 -0.00 -0.01 0.06 -0.04 0.16 0.21 -0.19 -0.02 0.27 0.09 0.03 -0.05 -0.00 -0.04 -0.40 -0.15 0.12 -0.18 0.16 -0.08 -0.01 -0.09 -0.02 -0.21 0.13 -0.10 -0.06 0.07 0.00 0.01 0.00 0.01 -0.17 -0.05 0.02 0.16 -0.05 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 -0.00 0.04 -0.02 -0.01 0.03 -0.00 0.01 -0.00 0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.04 0.00 0.02 -0.00 0.00 0.02 -0.01 -0.00 0.01 0.00 0.00 -0.01 -0.02 -0.00 -0.06 -0.03 0.02 -0.05 0.05 -0.02 -0.02 -0.00 -0.00 0.01 0.01 0.00 -0.08 0.05 -0.03 -0.09 -0.03 0.01 -0.00 -0.01 -0.00 -0.02 0.02 0.00 0.01 -0.00 -0.00 0.05 -0.01 -0.04 -0.04 0.02 0.00 0.01 -0.05 0.01 -0.02 -0.01 0.01 -0.01 -0.01 -0.01 0.02 -0.00 -0.00 0.01 -0.01 0.02 0.01 0.01 0.00 0.01 0.00 -0.01 0.41 0.12 -0.10 0.14 0.02 -0.02 0.14 -0.06 0.03 0.29 -0.20 0.10 0.34 -0.17 0.20 0.31 -0.15 0.03 0.30 0.03 -0.06 0.39 0.14 -0.01 0.06 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.07 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.03 -0.01 -0.00 -0.02 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.04 0.01 -0.05 0.04 0.04 0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.03 -0.01 0.13 0.68 -0.36 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.07 -0.04 -0.04 -0.12 0.04 -0.01 0.06 0.03 -0.02 0.02 0.02 0.04 0.00 0.08 0.02 0.28 -0.32 0.08 -0.32 -0.14 0.16 0.01 0.03 -0.08 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.05 0.01 -0.01 0.03 0.01 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.02 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.11 0.00 -0.02 0.11 -0.05 0.01 0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.08 0.01 -0.01 -0.09 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.05 -0.00 -0.03 -0.10 -0.04 0.05 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.00 0.03 0.01 0.01 -0.29 -0.12 0.09 -0.39 -0.06 0.06 -0.38 0.17 -0.06 -0.22 0.17 -0.12 0.11 -0.03 0.13 0.36 -0.14 0.02 0.44 0.02 -0.08 0.13 0.08 0.06 -0.03 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.00 -0.00 -0.01 0.01 -0.02 -0.09 0.05 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.01 -0.00 0.01 0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.05 -0.00 0.00 0.04 -0.02 0.01 -0.00 -0.02 -0.00 0.01 0.00 0.00 0.10 -0.00 0.01 -0.09 0.02 -0.02 -0.02 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.12 0.60 -0.32 0.05 0.19 -0.10 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -0.00 0.10 0.04 -0.10 0.13 0.09 -0.07 -0.10 0.12 -0.05 -0.07 0.11 -0.00 -0.22 0.17 -0.16 -0.26 0.08 0.01 0.26 -0.02 -0.04 0.27 0.15 -0.04 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.05 -0.03 0.00 -0.05 0.01 -0.04 0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.03 0.01 0.01 0.44 0.03 -0.21 0.23 0.39 0.16 0.44 -0.25 0.06 0.21 0.12 0.45 0.01 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.03 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.02 0.04 0.01 -0.01 0.02 -0.04 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.07 0.04 -0.01 -0.02 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.00 -0.01 -0.01 -0.06 -0.07 0.04 -0.01 0.06 0.00 -0.01 0.02 0.03 0.03 -0.08 -0.37 -0.32 -0.23 -0.34 0.24 0.11 -0.45 0.18 0.04 0.05 0.50 0.01 0.01 0.00 -0.02 -0.01 -0.00 -0.03 0.06 0.01 0.00 0.00 0.00 0.01 0.01 0.01 -0.20 -0.03 -0.01 0.06 0.01 -0.02 0.01 0.01 -0.01 0.04 -0.01 0.00 0.01 0.02 0.00 -0.00 -0.00 -0.01 0.26 0.06 0.01 0.09 0.04 0.01 -0.17 -0.06 -0.01 -0.05 0.07 0.01 -0.14 -0.09 -0.01 0.04 -0.02 0.05 -0.03 -0.02 0.00 -0.05 -0.11 -0.02 0.16 -0.03 0.00 -0.02 -0.00 0.01 0.01 -0.01 0.02 -0.06 0.05 0.01 0.17 0.00 0.00 -0.02 -0.01 -0.01 -0.02 -0.05 0.05 -0.04 -0.08 0.04 -0.00 -0.05 -0.01 -0.09 0.02 0.02 -0.05 -0.12 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.04 0.09 0.01 0.11 0.14 0.02 -0.16 -0.11 -0.42 -0.31 0.36 -0.10 0.12 0.16 -0.12 0.08 0.09 0.16 0.02 -0.02 0.04 0.04 0.03 -0.01 -0.02 0.17 -0.07 -0.08 -0.05 -0.16 -0.02 0.08 0.01 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.00 0.00 -0.02 -0.01 0.01 -0.00 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.04 0.00 -0.00 -0.01 -0.01 -0.00 0.04 0.00 0.00 -0.01 -0.02 -0.00 0.05 0.01 0.00 0.02 -0.02 0.03 -0.03 -0.04 -0.01 0.00 0.02 0.00 -0.02 0.00 -0.00 -0.01 -0.03 0.00 -0.00 0.00 -0.02 -0.01 -0.01 -0.00 -0.02 0.01 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.08 0.03 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.01 0.00 0.00 0.00 0.01 -0.02 -0.01 -0.00 0.04 -0.00 -0.00 -0.08 -0.07 -0.33 -0.10 0.33 -0.13 0.35 0.28 -0.23 0.11 0.34 0.34 0.05 0.18 0.18 0.09 0.24 -0.15 0.03 -0.16 0.05 0.00 0.01 0.19 0.05 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 0.01 0.00 -0.01 -0.01 0.01 0.01 0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.04 -0.01 -0.00 -0.01 -0.00 -0.00 0.03 0.01 0.00 0.01 -0.01 -0.00 0.02 0.01 0.00 0.02 -0.02 0.03 0.00 0.00 -0.00 0.01 0.01 0.00 -0.02 0.01 -0.00 0.01 0.04 0.01 0.00 -0.03 0.04 0.00 -0.01 -0.00 -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 0.02 -0.03 -0.04 0.04 0.00 -0.00 0.00 0.02 -0.00 -0.01 0.01 0.03 0.01 -0.01 0.01 0.00 -0.01 -0.00 -0.02 -0.00 -0.01 -0.00 -0.03 -0.02 -0.01 -0.05 -0.06 -0.38 -0.17 0.36 -0.13 -0.02 0.00 0.00 0.01 -0.00 0.00 -0.05 -0.30 -0.25 -0.17 -0.28 0.20 -0.03 0.40 -0.17 -0.02 -0.05 -0.40 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.02 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.08 -0.04 -0.10 -0.07 0.01 0.08 -0.03 0.07 0.01 -0.00 -0.00 -0.00 0.02 0.00 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.03 -0.16 0.01 0.43 0.00 -0.24 0.20 0.43 0.17 -0.39 0.27 -0.04 -0.15 -0.13 -0.41 0.04 -0.01 0.01 -0.01 0.00 -0.00 -0.01 -0.01 -0.03 -0.01 0.03 -0.01 -0.01 -0.01 0.01 -0.00 -0.01 -0.01 0.01 0.03 0.03 0.02 0.04 -0.02 0.00 -0.04 0.02 0.00 0.00 0.04 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.01 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.02 -0.01 -0.00 0.02 -0.00 -0.00 -0.01 0.02 -0.04 -0.02 -0.06 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 -0.00 -0.01 -0.02 0.02 -0.01 -0.00 -0.00 0.01 0.02 0.00 -0.00 0.00 0.00 0.03 -0.03 -0.05 0.03 0.00 0.02 0.00 -0.01 -0.00 0.03 0.00 -0.02 0.01 0.03 0.01 -0.03 0.02 -0.00 -0.01 -0.01 -0.03 -0.00 0.00 0.00 0.06 0.02 0.00 0.05 0.07 0.40 0.09 -0.37 0.14 0.25 0.32 -0.25 0.11 0.33 0.33 -0.04 -0.14 -0.14 -0.05 -0.19 0.12 0.03 0.21 -0.10 -0.02 -0.03 -0.20 0.02 0.01 0.00 -0.02 -0.03 -0.01 -0.01 0.01 0.00 0.01 -0.02 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.08 0.05 0.02 -0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.01 -0.00 0.01 -0.00 0.01 0.02 0.11 0.02 0.05 -0.08 -0.01 0.09 -0.06 -0.01 -0.18 -0.08 -0.01 0.19 -0.06 -0.01 -0.01 -0.02 -0.00 0.02 0.02 -0.01 -0.04 0.08 0.01 0.01 -0.01 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.19 -0.03 -0.01 0.10 0.12 0.02 -0.02 0.01 0.01 0.00 -0.00 -0.00 0.00 0.02 -0.01 -0.01 -0.01 -0.00 0.04 -0.00 -0.02 0.03 0.05 0.02 -0.03 0.02 0.00 -0.01 -0.01 -0.03 -0.12 0.04 0.00 0.64 0.16 0.03 -0.06 -0.03 0.05 0.13 0.06 -0.04 -0.12 -0.23 0.16 -0.10 -0.14 -0.19 0.03 -0.02 0.00 -0.03 -0.01 0.00 -0.03 0.03 -0.01 0.02 -0.00 -0.04 0.35 0.14 0.03 0.01 0.03 0.01 -0.04 0.05 0.01 0.03 -0.05 -0.02 -0.01 -0.01 -0.01 -0.03 0.05 0.01 0.02 -0.07 0.01 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.01 -0.00 0.01 -0.00 0.01 -0.12 0.18 0.02 0.20 -0.26 -0.03 -0.10 -0.28 -0.04 0.02 -0.15 -0.02 -0.04 0.37 0.04 -0.01 0.01 -0.01 0.03 0.00 0.01 -0.13 0.24 0.03 0.11 -0.09 -0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.10 0.17 0.03 0.07 -0.30 -0.04 -0.02 0.07 0.03 0.00 0.02 -0.01 -0.01 -0.00 0.00 0.02 -0.13 0.03 0.02 -0.01 -0.00 0.01 0.03 0.01 -0.02 0.03 -0.01 -0.01 -0.02 -0.02 -0.38 0.19 0.01 -0.03 -0.18 -0.03 0.04 0.03 -0.06 -0.02 -0.00 -0.00 -0.05 0.06 -0.02 -0.03 0.05 -0.01 -0.03 0.02 -0.01 0.00 0.01 0.00 0.03 -0.01 -0.00 0.03 0.01 0.02 -0.25 0.08 0.00 -0.00 0.00 0.00 -0.02 0.09 0.01 -0.05 0.07 0.03 0.02 0.02 0.01 0.11 -0.15 -0.02 -0.01 -0.02 0.01 -0.00 -0.00 0.00 -0.01 -0.02 0.02 0.01 0.01 -0.00 -0.01 0.01 -0.01 -0.04 0.27 0.04 -0.27 0.33 0.03 0.01 -0.24 -0.03 -0.09 -0.13 -0.02 0.05 0.19 0.02 -0.01 0.00 -0.00 0.01 0.00 0.00 0.14 -0.26 -0.03 -0.01 -0.07 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.08 0.01 0.05 -0.12 -0.02 0.03 -0.12 -0.06 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.04 0.22 -0.05 -0.02 0.01 0.01 -0.01 -0.02 -0.01 0.03 -0.04 0.02 0.02 0.03 0.03 0.46 -0.24 -0.01 0.30 -0.03 0.00 0.02 0.01 -0.02 0.02 0.02 -0.01 -0.02 -0.00 0.01 -0.02 0.01 -0.02 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.01 0.01 0.00 -0.02 0.08 0.01 -0.02 -0.01 -0.00 0.08 -0.32 -0.04 -0.04 0.08 0.03 0.06 0.09 0.04 -0.01 0.03 0.00 0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.14 0.09 0.01 0.03 -0.05 -0.00 0.09 -0.13 -0.02 0.20 0.03 0.01 -0.15 0.00 0.00 0.02 0.01 -0.01 0.00 -0.02 0.01 -0.01 -0.04 -0.01 -0.08 0.55 0.07 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.26 0.05 -0.00 0.28 -0.09 -0.01 -0.03 -0.22 -0.10 -0.03 0.04 0.08 -0.08 0.01 -0.01 -0.00 0.04 -0.01 -0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.00 0.00 0.01 -0.00 -0.09 0.04 0.01 -0.25 -0.10 -0.01 -0.05 -0.00 0.06 -0.07 -0.09 0.04 -0.01 0.07 -0.05 -0.00 0.04 0.04 -0.02 0.01 -0.01 0.01 0.00 -0.00 0.01 -0.01 0.00 -0.03 -0.01 0.01 0.16 0.21 0.04 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.06 0.03 0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.19 -0.35 -0.57 0.70 -0.08 0.09 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.04 -0.03 0.04 -0.00 -0.03 -0.01 0.02 -0.01 -0.02 -0.02 0.01 -0.01 0.01 0.00 0.01 -0.00 -0.00 -0.01 0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.02 0.01 0.00 0.04 -0.18 -0.02 -0.03 0.08 0.03 0.05 0.08 0.04 -0.06 0.03 0.00 -0.02 -0.01 0.01 0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.24 -0.03 0.00 0.03 -0.06 -0.01 -0.18 -0.07 -0.01 -0.29 -0.07 -0.01 0.19 0.06 0.00 -0.02 -0.01 0.00 -0.00 0.01 -0.01 -0.01 0.01 0.00 -0.02 0.28 0.04 0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.35 0.05 0.02 -0.30 0.04 -0.00 -0.02 -0.22 -0.10 -0.02 0.05 0.06 -0.08 0.01 -0.01 -0.00 0.01 -0.02 0.01 0.01 -0.02 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.01 -0.10 0.03 0.00 0.38 0.13 0.02 0.06 0.01 -0.06 0.08 0.08 -0.04 0.01 -0.06 0.04 0.00 -0.02 -0.03 0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.01 0.03 0.01 -0.00 -0.32 -0.17 -0.04 -0.00 -0.00 0.00 0.05 -0.18 -0.02 0.12 -0.26 -0.11 -0.09 -0.19 -0.09 -0.03 -0.03 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.02 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.06 0.06 0.01 -0.04 0.11 0.01 -0.04 -0.11 -0.01 -0.07 -0.03 -0.01 0.04 0.04 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.04 -0.21 -0.04 -0.06 0.35 0.04 0.00 0.00 0.00 -0.00 -0.00 0.00 0.06 0.04 0.01 -0.03 -0.01 -0.00 -0.04 0.65 0.28 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.07 -0.02 -0.00 0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 0.01 -0.00 0.21 -0.08 -0.01 0.13 0.02 0.00 0.01 0.00 -0.01 0.01 0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.08 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.04 -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.10 0.50 0.84 0.09 0.07 -0.13 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.03 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.07 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.04 -0.14 -0.01 0.09 0.41 0.89 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.04 -0.05 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.05 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.02 -0.02 0.03 0.40 0.28 -0.47 0.07 0.33 0.63 -0.01 -0.05 -0.10 -0.03 0.10 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.01 0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.02 0.02 -0.05 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.03 -0.04 0.22 0.18 -0.28 0.07 0.05 -0.08 0.01 0.05 0.10 0.06 0.29 0.59 0.20 -0.57 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.04 0.03 -0.06 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.07 0.11 -0.51 -0.39 0.62 0.01 0.01 -0.01 0.00 0.01 0.02 0.03 0.13 0.25 0.10 -0.28 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.01 -0.07 0.00 0.00 0.00 -0.03 0.01 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.30 0.15 0.79 -0.01 -0.06 -0.04 -0.02 0.00 0.02 0.02 0.14 0.28 0.28 -0.24 -0.09 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.03 -0.02 -0.01 -0.00 -0.04 0.01 -0.03 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.15 -0.07 -0.39 0.04 0.22 0.15 0.18 -0.06 -0.14 0.04 0.27 0.51 0.43 -0.37 -0.14 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.02 -0.05 -0.03 0.00 0.02 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.08 0.04 0.21 0.09 0.54 0.36 0.49 -0.18 -0.40 -0.01 -0.09 -0.17 -0.14 0.12 0.05 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.08 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.30 0.92 -0.06 0.01 0.04 0.10 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.10 0.07 -0.12 -0.01 -0.05 -0.09 0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.00 -0.09 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.06 0.18 -0.01 0.01 0.02 0.05 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.42 -0.29 0.48 0.08 0.32 0.59 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.08 -0.05 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.02 0.03 -0.01 -0.01 0.02 -0.00 0.00 0.00 0.00 0.01 0.01 0.07 0.29 0.61 -0.24 0.69 -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.03 -0.08 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.29 0.94 0.13 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.04 0.04 0.03 -0.05 -0.05 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.06 -0.34 -0.22 0.32 -0.11 -0.25 0.05 0.26 0.51 -0.40 0.34 0.12 -0.08 -0.09 -0.02 -0.01 0.03 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.02 -0.02 0.01 -0.02 -0.02 0.00 0.00 0.00 -0.05 -0.06 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.03 0.03 0.16 0.11 -0.13 0.04 0.10 0.02 0.11 0.21 -0.17 0.14 0.05 0.57 0.69 0.15 -0.01 0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.05 -0.05 0.02 -0.03 -0.03 -0.00 -0.00 -0.00 0.02 0.03 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.00 0.05 0.08 0.43 0.28 -0.41 0.14 0.33 0.03 0.17 0.32 -0.26 0.21 0.08 -0.26 -0.31 -0.07 -0.01 0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.08 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 0.02 -0.02 -0.01 -0.00 -0.00 -0.00 -0.28 0.94 0.15 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.04 -0.03 -0.04 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.51 -0.01 -0.21 -0.01 0.39 0.73 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.01 0.02 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.06 -0.02 -0.06 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.78 0.00 0.29 -0.02 0.26 0.48 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 9 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 9 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18.99840 15.99491 15.99491 15.99491 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 331.13322 0.99999 0.00252 -0.00255 -0.00254 0.99996 -0.00891 0.00253 0.00892 0.99996 asymmetric 1 0.02226 0.00618 0.00497 0.46381 0.12887 0.10346 893176.5 40.57 61.24 78.77 94.92 109.15 116.39 127.81 192.44 207.87 234.37 265.30 292.59 334.04 361.56 384.31 415.57 440.36 460.58 491.01 505.45 544.58 567.12 587.38 614.77 663.81 675.23 688.66 715.20 766.12 780.72 806.75 892.31 920.24 953.36 996.23 1024.01 1059.04 1069.90 1102.84 1132.16 1141.33 1168.93 1185.32 1211.26 1214.15 1226.34 1235.09 1275.77 1305.78 1315.02 1325.80 1357.11 1396.31 1409.04 1484.35 1491.54 1504.58 1519.80 1538.28 1538.64 1573.48 1585.08 1630.84 1644.43 1675.85 1688.76 1706.73 1727.73 1728.60 1750.24 1779.50 1813.82 1832.76 1849.86 1890.51 1922.86 1933.90 1940.48 1964.34 1968.54 1995.40 1997.11 2022.69 2029.17 2047.25 2068.46 2077.26 2092.30 2117.10 2144.11 2151.44 2162.95 2163.83 2170.00 2175.55 2202.44 2276.31 2356.64 2372.69 2391.64 2410.43 2458.88 4288.90 4305.02 4485.61 4489.23 4501.50 4530.49 4534.12 4543.77 4570.12 4578.52 4583.31 4644.43 4656.23 4667.52 4674.02 4693.21 4953.47 5038.30 0.340193 0.360423 0.361367 0.290545 -1148.068539 -1148.048309 -1148.047365 -1148.118187 226.169 79.291 149.058 0.000 0.000 0.000 0.889 2.981 43.287 0.889 2.981 35.207 224.391 73.330 70.564 1 0.593 1.984 5.952 2 0.595 1.980 5.136 3 0.596 1.976 4.638 4 0.597 1.971 4.270 5 0.599 1.965 3.995 6 0.600 1.962 3.869 7 0.602 1.957 3.686 8 0.613 1.920 2.891 9 0.616 1.909 2.744 10 0.623 1.888 2.516 11 0.631 1.861 2.283 12 0.639 1.835 2.102 13 0.653 1.792 1.862 14 0.663 1.761 1.721 15 0.672 1.734 1.615 16 0.685 1.694 1.481 17 0.696 1.662 1.383 18 0.706 1.635 1.310 19 0.721 1.593 1.206 20 0.728 1.573 1.160 21 0.749 1.516 1.045 22 0.761 1.483 0.984 23 0.773 1.452 0.933 24 0.789 1.411 0.868 25 0.819 1.336 0.762 26 0.826 1.318 0.739 27 0.835 1.297 0.714 28 0.853 1.256 0.665 29 0.887 1.178 0.582 30 0.898 1.156 0.560 31 0.916 1.116 0.522 32 0.980 0.989 0.416 0.686267e+23 22.836493 52.582968 0.262546e+08 7.419205 17.083350 0.100000e+01 0.000000 0.000000 0.236842e+09 8.374458 19.282902 0.110365e+08 7.042830 16.216716 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -55.0920 14.3981 1.8669 56.9729 -135.5424 -140.2124 -132.7113 17.6305 -11.4260 -4.9754 0.6130 -4.0570 3.4441 17.6305 -11.4260 -4.9754 -1867.5095 85.3416 -0.0519 -121.4675 209.6707 22.8058 -46.9065 -0.9553 15.5714 -10.9633 -8796.9048 -2653.0121 -294.1770 202.2804 -384.2320 196.7470 23.9633 -19.0653 10.1124 -2164.1467 -1525.4853 -487.2191 -125.7856 22.3628 -9.7312 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1148.4087321 9.542E-10 5.234E-6 0.340193 0.3604229 -0.0764333,-2.8107652,2.8871985,-12.8946826,8.7725888,-3.7738568 C01 [X(C17H18F1N3O3)] -21.7562318 -5.3429566 -0.7389874 -1.0584021 0.5830753 0.0653201 0.8400436 -0.9523548 -0.1209271 0.0813506 -0.1573432 -0.1769605 -0.9207635 -0.289058 -0.0187847 -0.7129881 -2.070488 -0.1469168 -0.0573032 -0.1548375 -0.5086279 -1.5045997 -0.5436174 -0.1546369 -0.4145389 -1.3210269 -0.3081225 -0.1146089 -0.3241641 -0.6919672 -1.6215946 0.4172467 0.215858 0.3603137 -1.2774293 -0.321112 0.2100447 -0.3057428 -0.7222157 -1.6483453 -0.4910855 -0.0315236 0.1367471 -1.1824463 -0.0397607 0.1289992 0.1369713 -0.2643722 -2.2451316 -0.1470681 -0.1135032 -0.0670312 -0.6145901 -0.018222 0.2559284 0.024686 -0.5560378 -0.5180322 -0.0319051 -0.0498527 0.0016662 -0.415733 0.110547 0.0148477 0.1149158 -0.269937 0.2104337 0.2741406 0.0032405 0.1639625 0.9470689 0.1205036 -0.0311626 0.2511036 0.2318964 -0.1120646 0.1457558 -0.0304702 0.1053113 0.0067513 0.0231476 -0.0439145 -0.0059095 0.1189522 -0.0433243 -0.0960446 0.1271099 -0.034907 0.0335864 0.0202015 0.1715629 -0.0363475 -0.0432778 0.9321311 -0.5684849 0.0170132 -0.7176358 0.543513 0.0320573 -0.1117973 -0.0160383 0.1280222 1.0948265 1.0290973 -0.0032913 0.7112254 0.8150209 0.0786717 0.0561221 0.0371484 0.0070576 -0.8804892 -0.5310218 -0.0710088 0.1771128 -0.2737482 -0.0150737 0.0054295 -0.0062863 -0.0571799 -0.6998998 0.2086891 -0.0182266 0.2618286 -0.1096134 0.0171605 -0.1339963 0.019061 -0.2433558 2.1058677 0.14842 0.0712114 0.5742508 0.2925125 0.1368372 0.0121368 0.1320959 0.1027961 0.6458621 -0.2418234 0.229977 -0.6045219 0.131228 -0.0456116 0.2738342 0.0065781 0.5970444 0.2002584 0.2092508 -0.134065 0.5715222 0.6573624 0.1118143 -0.1266801 0.0979792 0.3208444 -0.9034068 0.235343 0.059953 -0.3254135 -1.2243743 -0.099438 -0.0135653 -0.1899554 -0.1101097 1.4609989 0.1404668 0.0204139 0.642624 2.2890718 0.1905808 0.02221 0.2404048 0.2722145 0.2615709 0.2175111 -0.0897838 0.1939199 0.5709424 -0.1160789 -0.1423978 -0.0151004 0.1771957 0.4420627 -0.2059007 0.1862673 -0.2408856 0.2457962 -0.0841951 0.1592947 -0.1817148 0.3644574 0.2235153 0.3149976 0.0445945 -0.2769316 -0.0424154 0.0235483 -0.0297364 -0.0028324 -0.1281656 0.5076557 -0.8081037 -0.1216193 -1.2588572 0.78124 0.1015962 -0.0372102 0.1289093 0.0948344 2.7460893 0.151778 -0.0764242 0.1130626 1.7102355 0.6626251 -0.1026041 0.6306125 0.502118 0.3303336 0.0088548 -0.0161619 -0.0073352 0.2263972 0.0261893 -0.0539854 0.0210072 0.2624605 0.3352001 0.0425259 0.0359127 0.033244 0.2117706 0.0398148 0.0063104 0.033223 0.2423878 0.0756509 -0.1144443 -0.0648257 -0.045427 -0.174733 0.0261199 -0.0725088 -0.028269 -0.0963525 0.0337522 0.0415582 -0.0111644 0.066489 -0.0808427 -0.0658749 0.0133746 -0.0660162 0.0453219 -0.0350796 0.0247657 -0.0592204 -0.0223959 0.0575857 -0.054569 -0.0601134 -0.0614793 0.0484179 0.0360362 -0.0429498 0.0273501 -0.0037814 0.0639058 -0.0856993 0.0502156 -0.0792377 -0.0280692 -0.0492938 -0.0886064 0.0231881 -0.0983578 -0.0139316 -0.0217184 -0.0077779 -0.0021633 0.0481524 0.217419 0.0894319 -0.0117981 0.0765676 0.0738927 -0.0142367 -0.0446865 -0.029886 0.1273155 0.1305308 -0.0774912 0.007331 -0.0981885 0.0195218 -0.0282804 -0.0032955 -0.0374203 0.1622162 0.1101106 -0.0332834 0.0277411 0.0250283 0.007953 0.0460005 0.0535227 0.0155574 0.1022256 -0.1166109 0.0584062 -0.0173534 0.0516226 0.0054433 -0.1538305 -0.2070478 -0.0389583 -0.1825888 -0.0224986 -0.0291904 0.0367972 -0.1574951 -0.0949566 -0.0347846 0.002314 -0.1607175 -0.1324542 0.0526497 0.0701038 -0.0748784 -0.0070811 0.0361836 0.0374341 -0.0659303 0.0394483 0.0139243 -0.0383137 0.0129558 -0.0566906 -0.0336743 0.0342554 0.0291145 -0.0551305 0.0557592 0.0427473 0.0856937 -0.0290216 0.0369025 -0.0523606 0.052497 0.0181529 0.0687409 -0.0610837 -0.0373767 0.0354642 0.0515796 0.0157421 0.080568 0.0374949 -0.1021546 -0.0090496 -0.0216675 0.0066505 -0.0390554 -0.0507079 -0.0180577 -0.0375007 -0.0240372 0.0383635 -0.0463359 0.0062892 0.0836075 0.1827722 -0.056154 -0.0085842 0.0301973 0.0214867 -0.0138725 -0.0154006 -0.008579 0.1461819 384.3217154|11.9315514|309.289749|2.1818749|13.0279733|149.8404377 0.000004954 0.000000694 0.000010547 0.000004559 -0.000006045 0.000006641 0.000002993 -0.000010140 0.000001296 -0.000000657 -0.000007671 -0.000004932 -0.000001240 -0.000003165 -0.000004014 0.000001141 0.000002878 0.000003442 -0.000000153 0.000007889 0.000003501 -0.000003380 -0.000001988 -0.000007856 -0.000004342 -0.000005087 -0.000011546 -0.000003691 -0.000004526 -0.000009733 0.000000169 -0.000001956 -0.000000379 -0.000000704 -0.000004834 -0.000004017 0.000002255 -0.000003052 0.000003246 -0.000000119 -0.000000051 -0.000000256 0.000001284 0.000001190 0.000003451 0.000001404 0.000007079 0.000006347 -0.000000797 0.000003124 -0.000000167 0.000001246 -0.000005961 -0.000000613 0.000002916 -0.000005047 0.000003319 0.000001665 0.000007913 0.000007354 -0.000000511 0.000003693 0.000000767 0.000003820 -0.000002039 0.000006906 0.000003383 -0.000000181 0.000006897 0.000001125 -0.000007937 -0.000001342 0.000000156 0.000008236 0.000004290 -0.000001479 0.000010549 0.000002057 -0.000004305 0.000001541 -0.000008192 -0.000006140 -0.000003620 -0.000014439 -0.000003587 -0.000008157 -0.000011344 -0.000002177 -0.000007057 -0.000008023 -0.000004770 -0.000002567 -0.000011014 -0.000002055 -0.000005401 -0.000006891 -0.000001692 0.000000919 -0.000003096 0.000002763 0.000006877 0.000009017 -0.000000021 0.000009865 0.000004740 -0.000002283 0.000005599 -0.000002015 -0.000000960 -0.000000127 -0.000002001 0.000001821 0.000011050 0.000009091 0.000003127 0.000005284 0.000009021 0.000000856 0.000001054 0.000002292 -0.000001945 0.000004066 -0.000002046 0.000005374 -0.000002891 0.000009694 313.19860319999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;5;6;7;2;3;4;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nF0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2143,2.7904,.3474;2.7535,2.6367,.1985;5.4186,1.4491,.3153;5.474,-.6276,-.5638;1.4915,-1.2757,-.1666;-3.1812,.219,.0515;-5.9469,-.4516,-.2779;1.0831,-2.6559,-.3528;1.8484,-3.7545,.3325;.4556,-3.4124,.7936;.541,-.2611,-.0536;2.8152,-.9441,-.2148;.991,1.0702,.0729;-.8394,-.5472,-.0949;-1.7916,.4646,.025;-3.9957,.9189,-.9534;-3.6192,-1.1627,.2316;3.3428,.3131,-.0826;2.4321,1.4402,.0834;-5.454,.9558,-.5215;-5.0692,-1.195,.7;.0269,2.0871,.1939;-1.3103,1.7866,.1874;4.884,.3989,-.1178;-6.91,-.4286,.0691;-5.9812,-.9622,-1.1668;.7027,-2.8631,-1.3507;2.0081,-4.6684,-.2297;2.6695,-3.4754,.984;.3628,-2.8885,1.7393;-.3607,-4.089,.5622;3.5015,-1.7663,-.3707;-1.1588,-1.5692,-.2355;-3.6565,1.9479,-1.0536;-3.9064,.4369,-1.9408;-3.5094,-1.7637,-.687;-3.0201,-1.6379,1.0111;-6.0896,1.3996,-1.2879;-5.5765,1.4944,.4192;-5.1844,-.6942,1.6616;-5.4438,-2.2164,.7685;.3634,3.1104,.3129;