Gaussian 16 GINC-DIZZY GMALLOCI NEW-compound opt 6-31G** ES64L-G16RevA.03 11-Nov-2021 Gaussian 16 25-Dec-2016 ES64L-G16RevA.03 17 17 (6D, 7F) 6-31G(d,p) RB3LYP 6-31G(d,p) FOpt #N B3LYP/6-31G(d,p) SCF(Conver=8) SCRF=(PCM,Solvent=Water) Opt(Tight)NoSymm Int=UltraFine Freq=NoRaman SCF=XQC Test 130.08370000000002 0 1 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.8074,-1.451,.4097;2.1524,.751,-.2342;-2.8588,.2716,-.0594;3.5276,.6185,-.2224;-.0944,-.1299,.0425;-.9469,-1.2013,-.2006;-.6225,1.1419,.2345;1.3432,-.3392,.0968;-2.3089,-.95,-.2412;-1.999,1.2884,.1743;-.5765,-2.2084,-.3596;-.0141,2.0119,.454;-3.0163,-1.7512,-.4283;-2.4617,2.2585,.3239;1.7814,1.6434,-.543;3.8546,.849,-1.1598;3.889,1.349,.3893; g16 Output=mol.log NProcShared=64 Mem=64Gb Chk=mol #N B3LYP/6-31G(d,p) SCF(Conver=8) SCRF=(PCM,Solvent=Water) Opt(Tight) 1/7=10,18=20,19=15,26=6,38=1/1,3 2/9=110,12=2,15=1,17=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=8,8=3,13=1,38=5,53=1/2,8 6/7=2,8=2,9=2,10=2,28=1/1 7/30=1/1,2,3,16 1/7=10,18=20,19=15,26=6/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 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=8,8=3,13=1,38=5,53=1/2,8 7/30=1/1,2,3,16 1/7=10,18=20,19=15,26=6/3(-5) 2/9=110,15=1/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 NEW-compound opt 6-31G** Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 1 2 2 2 3 3 4 4 5 5 5 6 6 7 7 9 10 8 4 8 15 9 10 16 17 6 7 8 9 11 10 12 13 14 1.2448 1.3816 1.3975 1.0146 1.3519 1.3519 1.0192 1.019 1.3906 1.3904 1.4538 1.3856 1.0848 1.3856 1.0841 1.0851 1.0852 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 4 4 8 9 2 2 16 6 6 7 5 5 9 5 5 10 1 1 2 3 3 6 3 3 7 2 2 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 8 15 15 10 16 17 17 7 8 8 9 11 11 10 12 12 2 5 5 6 13 13 7 14 14 119.9683 116.8028 123.1294 116.3693 106.8462 106.821 106.0329 119.7379 120.1214 120.1406 117.9044 122.1131 119.9821 117.9072 123.2893 118.782 122.71 120.4474 116.8365 124.0396 115.1643 120.796 124.0415 115.1517 120.8056 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 8 8 15 15 4 4 15 15 10 10 9 9 7 7 8 8 6 6 8 8 6 6 7 7 5 5 11 11 5 5 12 12 2 2 2 2 2 2 2 2 3 3 3 3 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 4 4 4 4 8 8 8 8 9 9 10 10 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 16 17 16 17 1 5 1 5 6 13 7 14 9 11 9 11 10 12 10 12 1 2 1 2 3 13 3 13 3 14 3 14 121.6687 -125.1892 -54.8173 58.3249 0.0115 -179.0885 176.2658 -2.8342 -0.0043 -179.9379 -0.0029 -179.607 -0.0149 179.757 179.9313 -0.2968 0.0084 178.2999 -179.9378 -1.6463 -26.0558 153.0658 153.8902 -26.9882 0.0132 179.9432 -179.7638 0.1662 0.0007 179.5835 -178.3698 1.213 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 17 1.00e+00 60 F Berny optimization. local minimum Step number 22 out of a maximum of 84 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00075 0.00210 0.00416 0.01731 0.01983 0.02202 0.02252 0.02257 0.02279 0.02333 0.02835 0.03597 0.05095 0.06529 0.13035 0.14659 0.15737 0.15922 0.16011 0.16095 0.17211 0.20165 0.21597 0.21744 0.22838 0.23264 0.25195 0.27398 0.30987 0.34198 0.35395 0.35454 0.35481 0.35532 0.43445 0.44280 0.44425 0.44875 0.45323 0.47237 0.48987 0.51073 0.52874 0.53610 0.84153 -3.84177463e-13 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 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 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 2.32130 2.65600 2.57420 1.91374 2.53694 2.53225 1.92448 1.92294 2.64209 2.64401 2.85475 2.63175 2.04814 2.63745 2.04994 2.05581 2.05581 2.10768 2.07935 2.08105 2.04127 1.89852 1.88703 1.87361 2.05741 2.06110 2.16414 2.07545 2.09458 2.11315 2.07156 2.12601 2.08520 2.17662 2.11097 1.99559 2.15916 2.02940 2.09463 2.16132 2.03127 2.09058 1.98329 -2.27056 -0.97102 1.05833 0.00248 -3.13575 2.95661 -0.18162 -0.00170 3.13789 0.01093 -3.12617 0.02157 -3.12085 3.12924 -0.01318 -0.01318 3.09711 -3.11868 -0.00838 -0.48392 2.65445 2.62150 -0.52331 -0.01472 3.12895 3.12771 -0.01181 -0.00338 3.13358 -3.11442 0.02253 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -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 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00006 0.00006 0.00006 0.00006 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -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 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00006 0.00006 0.00006 0.00006 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.32130 2.65600 2.57420 1.91374 2.53694 2.53225 1.92448 1.92294 2.64209 2.64401 2.85475 2.63175 2.04814 2.63745 2.04994 2.05581 2.05581 2.10768 2.07935 2.08105 2.04127 1.89852 1.88703 1.87360 2.05741 2.06109 2.16415 2.07545 2.09458 2.11315 2.07156 2.12601 2.08519 2.17662 2.11096 1.99560 2.15916 2.02940 2.09463 2.16132 2.03127 2.09058 1.98328 -2.27056 -0.97102 1.05832 0.00248 -3.13575 2.95660 -0.18163 -0.00170 3.13789 0.01093 -3.12617 0.02157 -3.12085 3.12924 -0.01318 -0.01318 3.09711 -3.11868 -0.00838 -0.48386 2.65451 2.62156 -0.52326 -0.01472 3.12895 3.12771 -0.01181 -0.00338 3.13358 -3.11442 0.02254 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000155 0.000033 0.000015 0.000010 0.000060 0.000040 YES YES NO YES -5.521932e-12 Optimization completed on the basis of negligible forces. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 1 2 2 2 3 3 4 4 5 5 5 6 6 7 7 9 10 8 4 8 15 9 10 16 17 6 7 8 9 11 10 12 13 14 1.2284 1.4055 1.3622 1.0127 1.3425 1.34 1.0184 1.0176 1.3981 1.3991 1.5107 1.3927 1.0838 1.3957 1.0848 1.0879 1.0879 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 4 4 8 9 2 2 16 6 6 7 5 5 9 5 5 10 1 1 2 3 3 6 3 3 7 2 2 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 8 15 15 10 16 17 17 7 8 8 9 11 11 10 12 12 2 5 5 6 13 13 7 14 14 120.7612 119.1381 119.2351 116.9562 108.7772 108.1186 107.3497 117.8807 118.0921 123.9961 118.9147 120.0105 121.0748 118.6916 121.8115 119.4729 124.7112 120.9494 114.3391 123.7106 116.276 120.0133 123.8344 116.3834 119.7816 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 8 8 15 15 4 4 15 15 10 10 9 9 7 7 8 8 6 6 8 8 6 6 7 7 5 5 11 11 5 5 12 2 2 2 2 2 2 2 2 3 3 3 3 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 4 4 4 4 8 8 8 8 9 9 10 10 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 16 17 16 17 1 5 1 5 6 13 7 14 9 11 9 11 10 12 10 12 1 2 1 2 3 13 3 13 3 14 3 113.6339 -130.0933 -55.6351 60.6376 0.1423 -179.665 169.401 -10.4062 -0.0975 179.7879 0.6264 -179.1162 1.2359 -178.8113 179.2922 -0.755 -0.7553 177.4514 -178.687 -0.4803 -27.7266 152.0886 150.2011 -29.9837 -0.8433 179.2753 179.2044 -0.6769 -0.1937 179.5407 -178.4432 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.8074,-1.451,.4097;2.1524,.751,-.2342;-2.8588,.2716,-.0594;3.5276,.6185,-.2224;-.0944,-.1299,.0425;-.9469,-1.2013,-.2006;-.6225,1.1419,.2345;1.3432,-.3392,.0968;-2.3089,-.95,-.2412;-1.999,1.2884,.1743;-.5765,-2.2084,-.3596;-.0141,2.0119,.454;-3.0163,-1.7512,-.4283;-2.4617,2.2585,.3239;1.7814,1.6434,-.543;3.8546,.849,-1.1598;3.889,1.349,.3893; 0.000000 2.320008 0.000000 4.996081 5.037113 0.000000 2.764321 1.381619 6.397891 0.000000 2.344565 2.429127 2.795263 3.707986 0.000000 2.832134 3.663095 2.417588 4.830455 1.390594 0.000000 3.557842 2.841224 2.417610 4.207854 1.390406 2.405230 0.000000 1.244784 1.397463 4.249033 2.406383 1.453771 2.464999 2.465075 0.000000 4.197451 4.774584 1.351942 6.043615 2.378457 1.385584 2.728787 3.718219 0.000000 4.695573 4.205924 1.351945 5.581169 2.378329 2.728749 1.385582 3.718251 2.297632 0.000000 2.616956 4.027489 3.383698 4.985361 2.171236 1.084771 3.402878 2.717988 2.144481 3.812632 0.000000 3.912991 2.599463 3.374099 3.865581 2.182450 3.409292 1.084081 2.738161 3.810809 2.131082 4.334648 0.000000 4.905145 5.745793 2.062187 6.962794 3.374576 2.153289 3.813084 4.612452 1.085054 3.261471 2.483219 4.894137 0.000000 5.656233 4.886098 2.062130 6.233760 3.374574 3.813127 2.153473 4.612687 3.261466 1.085157 4.896361 2.463429 4.117169 0.000000 3.237843 1.014582 4.862835 2.049980 2.646890 3.956410 2.575800 2.128865 4.852562 3.864191 4.519922 2.086533 5.878298 4.374215 0.000000 3.456061 1.940058 6.827445 1.019205 4.242449 5.308314 4.698328 3.049261 6.486059 6.019761 5.442670 4.350118 7.382777 6.639556 2.304273 0.000000 3.489051 1.939623 6.847987 1.019028 4.263202 5.498904 4.518903 3.068660 6.640549 5.892236 5.758180 3.959522 7.613336 6.415829 2.323324 1.628157 0.000000 3.4957484 0.8270318 0.6850215 -10.23156 -10.23105 -10.22211 -10.20990 -10.20777 -1.03992 -0.98185 -0.94650 -0.83784 -0.79100 -0.77110 -0.66555 -0.63877 -0.59013 -0.56667 -0.51388 -0.51207 -0.48892 -0.47935 -0.44894 -0.43908 -0.41788 -0.41216 -0.38664 -0.37003 -0.29376 -0.28053 -0.27580 -0.27043 -0.26335 -0.25819 -0.06024 -0.01972 0.04424 0.07431 0.09847 0.12493 0.14391 0.14733 0.15826 0.17346 0.19632 0.20565 0.22448 0.26716 0.29655 0.30513 0.31961 0.37907 0.40166 0.45299 0.47518 0.50681 0.52223 0.54651 0.56685 0.57288 0.57692 0.59760 0.60388 0.61498 0.62784 0.62911 0.64536 0.65388 0.68250 0.69178 0.71062 0.73277 0.76803 0.78500 0.80263 0.80833 0.82387 0.84144 0.84842 0.85219 0.86542 0.87535 0.90540 0.91038 0.93462 0.96176 0.96831 0.99069 1.04629 1.05368 1.11089 1.12679 1.14285 1.17799 1.19934 1.22606 1.27518 1.28834 1.33058 1.34598 1.36860 1.37989 1.40509 1.41525 1.44053 1.46894 1.47039 1.50294 1.65335 1.69084 1.72745 1.75536 1.77715 1.78087 1.80254 1.81654 1.85493 1.88869 1.90725 1.92201 1.94163 1.95435 1.96744 1.98704 2.03975 2.05887 2.07969 2.11315 2.12504 2.15390 2.18472 2.21421 2.24504 2.26504 2.29066 2.30301 2.32783 2.34708 2.39002 2.39453 2.41864 2.43999 2.45862 2.47833 2.50070 2.52119 2.54460 2.57845 2.59422 2.62412 2.64003 2.68631 2.70110 2.72073 2.74341 2.76774 2.80849 2.84076 2.88679 2.92804 2.93948 2.99987 3.06305 3.09488 3.17363 3.23406 3.27176 3.33122 3.35690 3.42861 3.50452 3.52370 3.79686 3.95491 4.02033 4.07064 4.11693 4.13947 4.20976 4.31444 4.42577 4.48715 4.76274 1.7076 5.8058 -1.8695 6.3339 -62.0057 -49.6011 -56.4983 17.7013 -4.9808 1.8115 -5.9707 6.4340 -0.4633 17.7013 -4.9808 1.8115 51.5512 12.1254 0.0723 -7.1932 37.3184 -14.0390 6.2823 0.3847 -3.5206 -3.0177 -1562.6063 -369.9782 -75.2890 164.5630 -45.0376 15.0028 5.5406 -3.5852 -6.2112 -268.5886 -247.9311 -80.7789 2.4108 -5.2680 2.5837 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.841,-1.4233,.4099;2.1791,.7307,-.2524;-2.9001,.2528,-.0555;3.5801,.6027,-.2196;-.0967,-.0815,.0351;-.9467,-1.1638,-.206;-.6875,1.1735,.2472;1.3801,-.325,.092;-2.322,-.9458,-.2478;-2.077,1.2844,.193;-.5397,-2.1549,-.364;-.1015,2.052,.4874;-3.0021,-1.7721,-.4417;-2.5595,2.2447,.3611;1.771,1.5901,-.5957;3.9615,.7653,-1.1513;3.9765,1.3224,.3846; 0.000000 2.278754 0.000000 5.050180 5.105494 0.000000 2.743236 1.407162 6.491721 0.000000 2.386531 2.433498 2.824736 3.748585 0.000000 2.866714 3.655445 2.417730 4.859280 1.397121 0.000000 3.628061 2.943314 2.415575 4.330785 1.403221 2.394891 0.000000 1.232808 1.368052 4.321555 2.407834 1.497810 2.491272 2.558168 0.000000 4.241591 4.803207 1.344589 6.101890 2.403911 1.393083 2.721741 3.769113 0.000000 4.767547 4.315037 1.342952 5.712911 2.410872 2.725933 1.394986 3.814675 2.286533 0.000000 2.608095 3.966314 3.385835 4.959671 2.157417 1.082986 3.387260 2.691164 2.156828 3.808222 0.000000 3.982115 2.737613 3.371055 4.019264 2.180986 3.396589 1.083007 2.828714 3.802349 2.139700 4.314544 0.000000 4.929796 5.757232 2.063993 7.001062 3.395131 2.156474 3.809041 4.645747 1.087682 3.255979 2.493179 4.888863 0.000000 5.729000 5.012329 2.063301 6.381854 3.403415 3.813267 2.159892 4.711295 3.256774 1.087777 4.895120 2.468776 4.120147 0.000000 3.177475 1.011369 4.888716 2.094995 2.584670 3.888651 2.632144 2.071968 4.827439 3.939859 4.406597 2.211972 5.840469 4.483021 0.000000 3.424005 1.996528 6.967456 1.019847 4.312057 5.357745 4.871914 3.065652 6.574673 6.208064 5.422970 4.566103 7.445426 6.855645 2.405672 0.000000 3.478472 1.996578 6.973192 1.019873 4.322517 5.546885 4.668358 3.088812 6.724236 6.056615 5.748782 4.144030 7.678547 6.600797 2.428307 1.633949 0.000000 3.5629627 0.7993097 0.6690181 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.8249,-1.4592,.4026;2.1716,.7122,-.2506;-2.8858,.2621,-.0498;3.5731,.6215,-.2069;-.0878,-.0845,.0257;-.9463,-1.1634,-.2082;-.6692,1.1728,.2403;1.3949,-.3553,.0771;-2.3213,-.9396,-.2433;-2.0592,1.2892,.193;-.5382,-2.1557,-.3597;-.0698,2.0469,.471;-3.0016,-1.7673,-.4336;-2.5273,2.2567,.3619;1.7387,1.5574,-.6007;3.9377,.7968,-1.1411;3.9222,1.3615,.3989; 0.000000 2.293854 0.000000 5.035700 5.081331 0.000000 2.785072 1.405112 6.470766 0.000000 2.385467 2.411696 2.820322 3.735652 0.000000 2.853138 3.638851 2.412176 4.859120 1.398450 0.000000 3.629661 2.919459 2.413870 4.301274 1.401751 2.394960 0.000000 1.228555 1.360264 4.326829 2.404032 1.508149 2.493126 2.573390 0.000000 4.228269 4.786949 1.341787 6.097735 2.406642 1.393485 2.725062 3.775468 0.000000 4.762745 4.292937 1.340535 5.685810 2.408565 2.722953 1.395661 3.827339 2.286227 0.000000 2.578852 3.947101 3.384209 4.963726 2.154297 1.083580 3.384669 2.677460 2.161398 3.806026 0.000000 3.985874 2.706660 3.374387 3.970143 2.177515 3.396413 1.084683 2.840982 3.807780 2.146899 4.309414 0.000000 4.908150 5.739702 2.068687 6.998937 3.396035 2.154035 3.813012 4.645870 1.088175 3.259321 2.494964 4.895161 0.000000 5.722885 4.984008 2.067934 6.341325 3.397832 3.810708 2.154570 4.720962 3.259684 1.088011 4.893492 2.468873 4.129259 0.000000 3.180234 1.012127 4.833890 2.096743 2.534654 3.842661 2.579309 2.058204 4.779778 3.889156 4.362235 2.158401 5.792441 4.428759 0.000000 3.454865 1.979691 6.930806 1.018098 4.282877 5.344734 4.824190 3.045844 6.557122 6.163172 5.418572 4.496845 7.431648 6.796045 2.388787 0.000000 3.514920 1.976826 6.910698 1.018057 4.279061 5.517771 4.597948 3.072156 6.684941 5.985315 5.730675 4.050984 7.643407 6.511385 2.409405 1.640389 0.000000 3.5209578 0.8061488 0.6717182 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.817,-1.4589,.4154;2.1749,.713,-.2362;-2.8857,.2597,-.0654;3.5766,.6157,-.2183;-.0906,-.0763,.0431;-.9408,-1.1578,-.2074;-.6765,1.177,.2568;1.3952,-.3459,.1131;-2.3154,-.9393,-.2585;-2.0659,1.2879,.1926;-.5256,-2.1478,-.3573;-.0834,2.0525,.4994;-2.9898,-1.7682,-.4628;-2.538,2.2531,.3628;1.7419,1.5515,-.6026;3.9234,.7689,-1.163;3.9391,1.367,.3649; 0.000000 2.295668 0.000000 5.029922 5.083667 0.000000 2.793198 1.405256 6.473903 0.000000 2.385235 2.415214 2.817289 3.741073 0.000000 2.843215 3.634304 2.410843 4.853089 1.398324 0.000000 3.631970 2.930648 2.413612 4.316262 1.399892 2.395143 0.000000 1.228127 1.360580 4.327136 2.406907 1.511636 2.493714 2.575208 0.000000 4.219186 4.784724 1.341618 6.093951 2.405361 1.392892 2.725837 3.776104 0.000000 4.761508 4.301004 1.340002 5.697297 2.405248 2.721643 1.395302 3.828135 2.285999 0.000000 2.561176 3.935980 3.383934 4.948239 2.154269 1.083916 3.384416 2.675416 2.161890 3.805087 0.000000 3.993645 2.726721 3.374320 3.996911 2.177182 3.397221 1.085010 2.843885 3.808864 2.146950 4.309583 0.000000 4.896179 5.734293 2.069128 6.990088 3.394739 2.153245 3.813602 4.645749 1.087981 3.259259 2.495472 4.896073 0.000000 5.722572 4.994123 2.068272 6.356650 3.393781 3.809247 2.152702 4.720846 3.259831 1.087853 4.892417 2.466550 4.129968 0.000000 3.178759 1.012298 4.834371 2.095184 2.534610 3.833126 2.593713 2.057244 4.773232 3.898854 4.345832 2.190222 5.781743 4.443104 0.000000 3.448374 1.979734 6.915692 1.017922 4.275590 5.318390 4.831270 3.043494 6.531362 6.162664 5.380530 4.523843 7.397261 6.802895 2.384386 0.000000 3.534378 1.975206 6.927395 1.017782 4.292436 5.524078 4.620812 3.077158 6.695298 6.008041 5.727956 4.082714 7.650153 6.537410 2.407915 1.640808 0.000000 3.5166696 0.8053177 0.6719528 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.8199,-1.4569,.416;2.1744,.7137,-.2405;-2.8862,.2607,-.0576;3.5764,.6203,-.2109;-.0918,-.0801,.0354;-.9444,-1.1608,-.2092;-.6736,1.1743,.2509;1.3944,-.3502,.095;-2.3188,-.9396,-.2531;-2.0631,1.2877,.1945;-.5319,-2.1516,-.3609;-.0777,2.0494,.4885;-2.9962,-1.767,-.453;-2.5329,2.2537,.3663;1.7428,1.5521,-.6089;3.932,.7753,-1.1522;3.9334,1.3711,.3762; 0.000000 2.295274 0.000000 5.032055 5.084141 0.000000 2.791611 1.405402 6.474406 0.000000 2.386419 2.417011 2.816640 3.742567 0.000000 2.849556 3.638944 2.411228 4.859015 1.398142 0.000000 3.628762 2.926552 2.413634 4.310748 1.399421 2.395371 0.000000 1.228405 1.361206 4.326618 2.407618 1.511675 2.493911 2.573856 0.000000 4.224191 4.787733 1.341946 6.098202 2.404475 1.392730 2.725681 3.775714 0.000000 4.760173 4.298283 1.340033 5.693312 2.404583 2.721994 1.395291 3.827068 2.286104 0.000000 2.572327 3.943156 3.384323 4.958192 2.154500 1.083895 3.384653 2.676439 2.161820 3.805420 0.000000 3.987488 2.718000 3.374175 3.985491 2.177124 3.397491 1.084966 2.842463 3.808675 2.146708 4.309918 0.000000 4.903648 5.738852 2.068840 6.996905 3.394105 2.153294 3.813349 4.645937 1.087898 3.258988 2.495808 4.895778 0.000000 5.719900 4.989829 2.067951 6.350164 3.393322 3.809563 2.152980 4.719828 3.259787 1.087826 4.892712 2.466675 4.129384 0.000000 3.179664 1.012346 4.837275 2.094916 2.538659 3.839332 2.592474 2.058000 4.778218 3.898765 4.353464 2.183115 5.787808 4.441280 0.000000 3.450045 1.980940 6.924667 1.018028 4.281722 5.330777 4.831098 3.043306 6.543823 6.165851 5.396211 4.515891 7.412976 6.803435 2.385632 0.000000 3.530766 1.976481 6.922991 1.017846 4.292326 5.526871 4.612846 3.080348 6.695138 5.999810 5.735101 4.069579 7.652092 6.526211 2.408700 1.640452 0.000000 3.5185467 0.8051656 0.6716454 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.8227,-1.4535,.4244;2.173,.717,-.2322;-2.8855,.2612,-.0604;3.5747,.6207,-.2101;-.0922,-.0802,.0382;-.9434,-1.161,-.2112;-.6732,1.1737,.2548;1.3943,-.3486,.1009;-2.3174,-.9391,-.2578;-2.0631,1.2873,.1967;-.5305,-2.1513,-.364;-.0774,2.0482,.494;-2.9954,-1.7651,-.4614;-2.5338,2.2528,.3691;1.741,1.5498,-.613;3.9258,.7612,-1.1555;3.9369,1.3789,.3642; 0.000000 2.294612 0.000000 5.034209 5.081890 0.000000 2.788306 1.405256 6.471992 0.000000 2.387895 2.416539 2.815867 3.741564 0.000000 2.853235 3.638521 2.411920 4.856707 1.398120 0.000000 3.627757 2.923389 2.413831 4.308906 1.398848 2.396012 0.000000 1.228484 1.361199 4.326043 2.406378 1.511791 2.494380 2.572037 0.000000 4.227423 4.786114 1.342535 6.095303 2.403532 1.392643 2.725840 3.775456 0.000000 4.760662 4.295749 1.339909 5.691675 2.404123 2.722918 1.395792 3.826078 2.286489 0.000000 2.577975 3.943732 3.385070 4.955817 2.154792 1.083769 3.385083 2.677755 2.161944 3.806220 0.000000 3.984650 2.713580 3.374317 3.983932 2.176693 3.397899 1.084801 2.839879 3.808728 2.147142 4.310074 0.000000 4.908793 5.738085 2.068578 6.994428 3.393707 2.153709 3.813474 4.646723 1.087886 3.258798 2.496906 4.895785 0.000000 5.720138 4.987410 2.067533 6.349339 3.393275 3.810563 2.153998 4.719053 3.260075 1.087906 4.893585 2.468088 4.128791 0.000000 3.178538 1.012485 4.834298 2.094808 2.538044 3.836083 2.592827 2.057616 4.774029 3.898156 4.349658 2.186402 5.783180 4.442174 0.000000 3.438604 1.981597 6.916883 1.018132 4.275173 5.319319 4.827996 3.036215 6.532573 6.162148 5.382117 4.516927 7.400475 6.802659 2.385280 0.000000 3.534970 1.976186 6.926412 1.017792 4.297542 5.531644 4.615931 3.085210 6.698997 6.003052 5.740183 4.071810 7.656596 6.529501 2.409621 1.640430 0.000000 3.5180137 0.8053153 0.6720464 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.8238,-1.4492,.4369;2.1723,.7211,-.2225;-2.885,.2614,-.0644;3.5739,.6217,-.2084;-.0927,-.0796,.0423;-.942,-1.1603,-.2138;-.6738,1.1733,.2615;1.3941,-.3461,.1089;-2.3157,-.9384,-.2645;-2.0639,1.2868,.1989;-.5281,-2.1498,-.3687;-.0788,2.0469,.5053;-2.9935,-1.7632,-.474;-2.5359,2.2511,.3743;1.7406,1.5451,-.6226;3.9197,.7395,-1.1588;3.9416,1.3918,.3461; 0.000000 2.294923 0.000000 5.034867 5.080554 0.000000 2.787061 1.405236 6.470518 0.000000 2.388392 2.416839 2.815078 3.741414 0.000000 2.855961 3.638460 2.412144 4.854756 1.398173 0.000000 3.625769 2.922118 2.413957 4.309061 1.398359 2.396519 0.000000 1.228474 1.361734 4.325438 2.405975 1.511911 2.494872 2.570578 0.000000 4.229478 4.785184 1.342963 6.093008 2.402880 1.392444 2.726168 3.775326 0.000000 4.759852 4.294477 1.339753 5.691481 2.403557 2.723375 1.396127 3.825156 2.286819 0.000000 2.582886 3.944063 3.385402 4.953097 2.155084 1.083724 3.385443 2.678884 2.161894 3.806638 0.000000 3.980866 2.711962 3.374487 3.985352 2.176306 3.398223 1.084702 2.837746 3.808987 2.147598 4.310192 0.000000 4.912658 5.737573 2.068405 6.992009 3.393496 2.153993 3.813754 4.647428 1.087859 3.258676 2.497682 4.895990 0.000000 5.718696 4.986384 2.067230 6.350164 3.392907 3.811021 2.154520 4.718134 3.260322 1.087926 4.893998 2.469050 4.128383 0.000000 3.177329 1.012598 4.832729 2.094148 2.538189 3.831760 2.597907 2.057112 4.769674 3.900723 4.343232 2.198688 5.777362 4.447548 0.000000 3.424860 1.982563 6.908690 1.018253 4.267629 5.304572 4.827606 3.027270 6.518894 6.160063 5.362416 4.524027 7.384056 6.805182 2.384347 0.000000 3.544636 1.975727 6.931664 1.017688 4.304886 5.538555 4.621296 3.092891 6.704951 6.008175 5.747321 4.076520 7.662952 6.534297 2.409611 1.640325 0.000000 3.5168621 0.8052292 0.6724449 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.824,-1.4475,.4425;2.1719,.7228,-.2185;-2.8847,.2614,-.0665;3.5736,.6224,-.2071;-.0923,-.0793,.0445;-.9413,-1.1595,-.215;-.6743,1.1732,.2651;1.3941,-.345,.1131;-2.315,-.9379,-.2678;-2.0643,1.2864,.2004;-.5271,-2.1487,-.3713;-.0794,2.0461,.5116;-2.9921,-1.7624,-.48;-2.5367,2.2505,.3765;1.7399,1.5422,-.6278;3.9173,.728,-1.1598;3.9429,1.3994,.3366; 0.000000 2.295322 0.000000 5.034993 5.079860 0.000000 2.787113 1.405358 6.469908 0.000000 2.388038 2.416425 2.815277 3.740938 0.000000 2.856949 3.638033 2.412020 4.853857 1.398243 0.000000 3.625018 2.921882 2.413930 4.309400 1.398546 2.396486 0.000000 1.228398 1.362030 4.325273 2.405965 1.511524 2.495051 2.570221 0.000000 4.230279 4.784585 1.342913 6.092091 2.403114 1.392426 2.726212 3.775421 0.000000 4.759373 4.293978 1.339747 5.691463 2.403768 2.723278 1.396097 3.824846 2.286820 0.000000 2.584920 3.943873 3.385228 4.952032 2.155148 1.083749 3.385497 2.679440 2.161761 3.806564 0.000000 3.979106 2.711562 3.374685 3.986002 2.176124 3.398039 1.084712 2.836791 3.809067 2.147889 4.310048 0.000000 4.913785 5.736898 2.068437 6.990779 3.393684 2.153973 3.813806 4.647579 1.087864 3.258718 2.497449 4.896082 0.000000 5.717951 4.985821 2.067274 6.350345 3.393070 3.810919 2.154429 4.717712 3.260335 1.087917 4.893919 2.469411 4.128459 0.000000 3.176625 1.012652 4.831356 2.094148 2.537304 3.828601 2.600339 2.056639 4.766744 3.901675 4.339113 2.205040 5.773549 4.449665 0.000000 3.417999 1.983099 6.905110 1.018315 4.263712 5.297344 4.828204 3.022965 6.512477 6.159685 5.352663 4.528260 7.375980 6.806800 2.384758 0.000000 3.550467 1.975378 6.933446 1.017635 4.307461 5.541415 4.623230 3.096592 6.707335 6.009732 5.750758 4.077721 7.665366 6.535316 2.409053 1.640294 0.000000 3.5160888 0.8051949 0.6726442 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.8241,-1.4465,.4462;2.1715,.7237,-.2169;-2.8845,.2615,-.0675;3.5734,.6235,-.2051;-.0915,-.0794,.0456;-.9409,-1.1588,-.2161;-.6747,1.1729,.2676;1.394,-.3444,.1155;-2.3147,-.9372,-.2697;-2.0642,1.2863,.2014;-.5271,-2.148,-.374;-.0795,2.045,.5164;-2.9911,-1.762,-.4836;-2.5366,2.2502,.3783;1.7391,1.5399,-.632;3.9169,.7186,-1.1591;3.9422,1.4068,.3296; 0.000000 2.295676 0.000000 5.035064 5.079323 0.000000 2.787337 1.405535 6.469552 0.000000 2.387267 2.415663 2.815957 3.740197 0.000000 2.857740 3.637451 2.411803 4.853450 1.398231 0.000000 3.624482 2.921888 2.413784 4.309503 1.399115 2.396172 0.000000 1.228349 1.362327 4.325086 2.406152 1.510637 2.495004 2.570000 0.000000 4.230982 4.784103 1.342585 6.091801 2.403682 1.392546 2.725996 3.775478 0.000000 4.758890 4.293404 1.339914 5.691053 2.404338 2.722970 1.395759 3.824416 2.286647 0.000000 2.587029 3.943800 3.384808 4.952130 2.155184 1.083828 3.385503 2.680096 2.161550 3.806325 0.000000 3.977352 2.711257 3.374910 3.985665 2.175989 3.397512 1.084776 2.835764 3.808932 2.148042 4.309806 0.000000 4.914252 5.736061 2.068558 6.990067 3.393901 2.153739 3.813615 4.647309 1.087876 3.258873 2.496473 4.895990 0.000000 5.717129 4.985102 2.067518 6.349765 3.393504 3.810587 2.153979 4.717089 3.260178 1.087890 4.893657 2.469526 4.128777 0.000000 3.176245 1.012705 4.830204 2.094506 2.536284 3.826033 2.601982 2.056390 4.764544 3.901840 4.336213 2.209375 5.770569 4.450517 0.000000 3.412411 1.983409 6.903559 1.018370 4.260942 5.292622 4.829490 3.019855 6.508846 6.160095 5.346241 4.531846 7.370859 6.808582 2.386415 0.000000 3.555452 1.975014 6.933529 1.017604 4.308216 5.543020 4.623244 3.099353 6.708399 6.009056 5.753774 4.076363 7.666375 6.533711 2.407549 1.640275 0.000000 3.5157346 0.8051973 0.6727935 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.8242,-1.4462,.4472;2.1714,.7238,-.2167;-2.8844,.2615,-.0677;3.5734,.6237,-.2047;-.0915,-.0794,.0458;-.9408,-1.1587,-.2164;-.6747,1.1729,.2681;1.394,-.3443,.116;-2.3146,-.9371,-.2703;-2.0642,1.2863,.2017;-.527,-2.1479,-.3746;-.0795,2.0448,.5174;-2.9909,-1.7618,-.4845;-2.5367,2.2501,.3789;1.739,1.5397,-.6325;3.9168,.716,-1.1589;3.942,1.4087,.3277; 0.000000 2.295685 0.000000 5.035103 5.079160 0.000000 2.787343 1.405537 6.469406 0.000000 2.387243 2.415551 2.815970 3.740094 0.000000 2.857961 3.637235 2.411821 4.853303 1.398176 0.000000 3.624333 2.921879 2.413764 4.309432 1.399181 2.396168 0.000000 1.228360 1.362300 4.325053 2.406121 1.510586 2.495008 2.569935 0.000000 4.231231 4.783901 1.342503 6.091666 2.403683 1.392623 2.725956 3.775515 0.000000 4.758767 4.293273 1.339985 5.690889 2.404359 2.723000 1.395686 3.824320 2.286638 0.000000 2.587608 3.943710 3.384767 4.952145 2.155213 1.083829 3.385560 2.680294 2.161561 3.806353 0.000000 3.976916 2.711224 3.374958 3.985481 2.175959 3.397449 1.084777 2.835516 3.808901 2.148048 4.309802 0.000000 4.914490 5.735799 2.068564 6.989880 3.393853 2.153731 3.813589 4.647303 1.087887 3.258933 2.496329 4.895974 0.000000 5.716962 4.985038 2.067558 6.349636 3.393553 3.810617 2.153951 4.717004 3.260142 1.087889 4.893683 2.469622 4.128820 0.000000 3.176236 1.012700 4.830014 2.094478 2.536195 3.825636 2.602257 2.056373 4.764148 3.901869 4.335828 2.210028 5.770072 4.450721 0.000000 3.410865 1.983414 6.903163 1.018382 4.260309 5.291355 4.829783 3.018943 6.507846 6.160233 5.344555 4.532723 7.369531 6.809170 2.387075 0.000000 3.556701 1.974947 6.933446 1.017591 4.308477 5.543379 4.623110 3.100002 6.708589 6.008758 5.754527 4.075883 7.666599 6.533253 2.406693 1.640279 0.000000 3.5156064 0.8052022 0.6728371 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.8243,-1.4459,.4484;2.1713,.7237,-.2169;-2.8844,.2615,-.0679;3.5733,.6241,-.2041;-.0915,-.0794,.046;-.9406,-1.1586,-.2168;-.6748,1.1728,.2687;1.3941,-.3442,.1166;-2.3145,-.9369,-.2708;-2.0642,1.2862,.2022;-.527,-2.1477,-.3753;-.0795,2.0446,.5183;-2.9907,-1.7616,-.4856;-2.5367,2.2499,.3796;1.7389,1.5396,-.6326;3.9169,.713,-1.1586;3.9415,1.4111,.3255; 0.000000 2.295663 0.000000 5.035177 5.078995 0.000000 2.787400 1.405537 6.469277 0.000000 2.387289 2.415486 2.815929 3.740073 0.000000 2.858264 3.636948 2.411848 4.853205 1.398104 0.000000 3.624179 2.921948 2.413749 4.309352 1.399226 2.396188 0.000000 1.228379 1.362233 4.325047 2.406108 1.510615 2.495049 2.569886 0.000000 4.231534 4.783670 1.342416 6.091593 2.403644 1.392712 2.725928 3.775591 0.000000 4.758654 4.293202 1.340066 5.690726 2.404341 2.723056 1.395616 3.824250 2.286640 0.000000 2.588322 3.943489 3.384734 4.952215 2.155241 1.083825 3.385634 2.680526 2.161587 3.806402 0.000000 3.976478 2.711352 3.375007 3.985262 2.175943 3.397418 1.084779 2.835293 3.808881 2.148045 4.309825 0.000000 4.914845 5.735467 2.068552 6.989752 3.393777 2.153742 3.813573 4.647351 1.087898 3.258994 2.496223 4.895971 0.000000 5.716805 4.985100 2.067581 6.349528 3.393582 3.810667 2.153951 4.716962 3.260092 1.087885 4.893725 2.469743 4.128832 0.000000 3.176297 1.012697 4.829793 2.094480 2.536149 3.825287 2.602417 2.056387 4.763815 3.901817 4.335508 2.210436 5.769611 4.450848 0.000000 3.409177 1.983459 6.903002 1.018397 4.259886 5.290156 4.830363 3.018042 6.507027 6.160682 5.342798 4.533937 7.368298 6.810164 2.388292 0.000000 3.558144 1.974899 6.933205 1.017576 4.308722 5.543732 4.622775 3.100682 6.708720 6.008245 5.755350 4.075139 7.666793 6.532562 2.405420 1.640289 0.000000 3.5154329 0.8051946 0.6728768 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.8243,-1.4458,.4487;2.1714,.7236,-.2172;-2.8844,.2615,-.0679;3.5733,.6241,-.204;-.0916,-.0794,.046;-.9406,-1.1586,-.2169;-.6748,1.1728,.2688;1.3941,-.3441,.1167;-2.3145,-.9369,-.271;-2.0642,1.2862,.2022;-.5269,-2.1477,-.3754;-.0795,2.0446,.5184;-2.9907,-1.7616,-.4858;-2.5368,2.2499,.3798;1.7389,1.5396,-.6326;3.9172,.7124,-1.1585;3.9414,1.4115,.3251; 0.000000 2.295628 0.000000 5.035186 5.079032 0.000000 2.787393 1.405520 6.469305 0.000000 2.387361 2.415542 2.815875 3.740135 0.000000 2.858351 3.636888 2.411856 4.853210 1.398104 0.000000 3.624136 2.922075 2.413757 4.309384 1.399184 2.396209 0.000000 1.228382 1.362203 4.325069 2.406098 1.510692 2.495082 2.569895 0.000000 4.231585 4.783620 1.342444 6.091584 2.403599 1.392695 2.725945 3.775606 0.000000 4.758639 4.293328 1.340049 5.690786 2.404300 2.723074 1.395643 3.824284 2.286655 0.000000 2.588413 3.943334 3.384760 4.952166 2.155239 1.083822 3.385633 2.680515 2.161595 3.806418 0.000000 3.976450 2.711630 3.374991 3.985361 2.175954 3.397457 1.084777 2.835344 3.808895 2.148041 4.309843 0.000000 4.914954 5.735417 2.068539 6.989773 3.393761 2.153759 3.813586 4.647399 1.087894 3.258977 2.496296 4.895979 0.000000 5.716767 4.985298 2.067556 6.349628 3.393549 3.810684 2.153987 4.717002 3.260103 1.087885 4.893739 2.469743 4.128798 0.000000 3.176341 1.012697 4.829843 2.094496 2.536203 3.825310 2.602470 2.056413 4.763821 3.901901 4.335498 2.210545 5.769642 4.450987 0.000000 3.408981 1.983436 6.903177 1.018398 4.260003 5.290100 4.830633 3.017984 6.507022 6.160987 5.342572 4.534379 7.368276 6.810605 2.388675 0.000000 3.558277 1.974913 6.933122 1.017573 4.308733 5.543736 4.622668 3.100709 6.708671 6.008156 5.755356 4.075051 7.666786 6.532470 2.405103 1.640299 0.000000 3.5154419 0.8051741 0.6728784 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.8243,-1.4457,.449;2.1714,.7235,-.2173;-2.8844,.2615,-.0679;3.5733,.6241,-.204;-.0916,-.0794,.0461;-.9406,-1.1586,-.217;-.6748,1.1728,.2689;1.3941,-.3441,.1168;-2.3145,-.9369,-.271;-2.0642,1.2862,.2023;-.5269,-2.1477,-.3755;-.0796,2.0446,.5185;-2.9907,-1.7615,-.486;-2.5368,2.2498,.3799;1.7389,1.5396,-.6326;3.9172,.7121,-1.1585;3.9413,1.4117,.3249; 0.000000 2.295627 0.000000 5.035193 5.079012 0.000000 2.787417 1.405515 6.469286 0.000000 2.387381 2.415542 2.815857 3.740142 0.000000 2.858415 3.636843 2.411855 4.853200 1.398117 0.000000 3.624087 2.922107 2.413762 4.309380 1.399160 2.396216 0.000000 1.228382 1.362198 4.325068 2.406104 1.510709 2.495100 2.569879 0.000000 4.231608 4.783576 1.342468 6.091562 2.403589 1.392676 2.725958 3.775605 0.000000 4.758617 4.293359 1.340030 5.690794 2.404284 2.723074 1.395664 3.824286 2.286661 0.000000 2.588502 3.943229 3.384776 4.952113 2.155239 1.083822 3.385626 2.680506 2.161594 3.806419 0.000000 3.976397 2.711735 3.374987 3.985390 2.175950 3.397475 1.084777 2.835346 3.808908 2.148052 4.309845 0.000000 4.915038 5.735359 2.068539 6.989751 3.393766 2.153763 3.813596 4.647420 1.087892 3.258964 2.496337 4.895989 0.000000 5.716726 4.985340 2.067547 6.349633 3.393529 3.810686 2.153998 4.716997 3.260118 1.087886 4.893742 2.469739 4.128790 0.000000 3.176360 1.012698 4.829786 2.094508 2.536180 3.825252 2.602477 2.056418 4.763761 3.901899 4.335394 2.210625 5.769551 4.450994 0.000000 3.408952 1.983452 6.903216 1.018398 4.260048 5.290061 4.830752 3.017992 6.507005 6.161109 5.342421 4.534586 7.368210 6.810762 2.388848 0.000000 3.558343 1.974924 6.933073 1.017573 4.308727 5.543739 4.622612 3.100728 6.708645 6.008112 5.755347 4.075002 7.666774 6.532405 2.405009 1.640301 0.000000 3.5154022 0.8051685 0.6728854 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.8243,-1.4456,.4493;2.1714,.7235,-.2174;-2.8844,.2615,-.068;3.5733,.6241,-.2041;-.0916,-.0794,.0461;-.9406,-1.1585,-.217;-.6748,1.1728,.269;1.3941,-.3441,.1169;-2.3144,-.9369,-.2711;-2.0642,1.2862,.2023;-.5268,-2.1476,-.3755;-.0796,2.0446,.5187;-2.9907,-1.7615,-.4861;-2.5369,2.2498,.38;1.7388,1.5395,-.6328;3.9172,.712,-1.1586;3.9413,1.4117,.3248; 0.000000 2.295634 0.000000 5.035199 5.078991 0.000000 2.787427 1.405510 6.469264 0.000000 2.387380 2.415527 2.815859 3.740127 0.000000 2.858475 3.636811 2.411852 4.853176 1.398131 0.000000 3.624041 2.922121 2.413765 4.309377 1.399149 2.396217 0.000000 1.228381 1.362203 4.325063 2.406106 1.510701 2.495111 2.569860 0.000000 4.231639 4.783533 1.342486 6.091524 2.403592 1.392659 2.725966 3.775599 0.000000 4.758593 4.293371 1.340014 5.690796 2.404284 2.723068 1.395679 3.824281 2.286663 0.000000 2.588589 3.943168 3.384782 4.952064 2.155241 1.083823 3.385619 2.680505 2.161586 3.806415 0.000000 3.976330 2.711795 3.374985 3.985417 2.175944 3.397481 1.084777 2.835331 3.808916 2.148064 4.309842 0.000000 4.915103 5.735317 2.068541 6.989717 3.393779 2.153762 3.813601 4.647430 1.087890 3.258953 2.496354 4.895994 0.000000 5.716680 4.985355 2.067542 6.349632 3.393522 3.810681 2.154000 4.716981 3.260129 1.087887 4.893739 2.469735 4.128788 0.000000 3.176362 1.012700 4.829733 2.094514 2.536146 3.825168 2.602516 2.056415 4.763668 3.901914 4.335274 2.210778 5.769445 4.451031 0.000000 3.408962 1.983452 6.903195 1.018398 4.260037 5.289998 4.830797 3.017998 6.506933 6.161146 5.342303 4.534700 7.368125 6.810819 2.388870 0.000000 3.558352 1.974924 6.933048 1.017573 4.308710 5.543733 4.622591 3.100730 6.708621 6.008100 5.755328 4.074994 7.666759 6.532379 2.405016 1.640302 0.000000 3.5153709 0.8051649 0.6728939 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.8243,-1.4455,.4497;2.1713,.7235,-.2174;-2.8844,.2615,-.0681;3.5733,.6241,-.2041;-.0915,-.0793,.0462;-.9406,-1.1585,-.217;-.6748,1.1728,.2691;1.3941,-.3441,.117;-2.3144,-.9369,-.2712;-2.0642,1.2862,.2024;-.5268,-2.1476,-.3756;-.0796,2.0446,.5189;-2.9906,-1.7615,-.4863;-2.5369,2.2498,.3801;1.7388,1.5394,-.633;3.9172,.7119,-1.1586;3.9413,1.4118,.3246; 0.000000 2.295643 0.000000 5.035210 5.078950 0.000000 2.787443 1.405506 6.469224 0.000000 2.387373 2.415499 2.815865 3.740099 0.000000 2.858554 3.636758 2.411850 4.853135 1.398143 0.000000 3.623981 2.922132 2.413765 4.309371 1.399143 2.396217 0.000000 1.228380 1.362207 4.325053 2.406109 1.510685 2.495121 2.569835 0.000000 4.231689 4.783471 1.342498 6.091470 2.403598 1.392647 2.725969 3.775595 0.000000 4.758561 4.293368 1.340002 5.690784 2.404289 2.723064 1.395689 3.824267 2.286664 0.000000 2.588729 3.943094 3.384784 4.952007 2.155246 1.083824 3.385616 2.680519 2.161578 3.806412 0.000000 3.976225 2.711854 3.374987 3.985439 2.175935 3.397481 1.084778 2.835297 3.808921 2.148078 4.309838 0.000000 4.915190 5.735245 2.068545 6.989656 3.393789 2.153759 3.813603 4.647436 1.087889 3.258947 2.496358 4.895997 0.000000 5.716621 4.985356 2.067541 6.349619 3.393519 3.810678 2.154000 4.716956 3.260139 1.087889 4.893738 2.469736 4.128790 0.000000 3.176361 1.012701 4.829646 2.094520 2.536093 3.825039 2.602567 2.056409 4.763530 3.901915 4.335107 2.210984 5.769277 4.451065 0.000000 3.409009 1.983450 6.903138 1.018398 4.260012 5.289910 4.830834 3.018016 6.506831 6.161157 5.342167 4.534811 7.367994 6.810849 2.388859 0.000000 3.558341 1.974924 6.933010 1.017573 4.308681 5.543711 4.622565 3.100722 6.708584 6.008076 5.755304 4.074976 7.666724 6.532343 2.405050 1.640303 0.000000 3.5153185 0.8051622 0.6729070 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.8243,-1.4454,.4502;2.1713,.7234,-.2175;-2.8843,.2616,-.0682;3.5732,.6241,-.2042;-.0915,-.0793,.0463;-.9406,-1.1585,-.2171;-.6748,1.1727,.2692;1.3941,-.344,.1172;-2.3144,-.9368,-.2714;-2.0642,1.2862,.2025;-.5268,-2.1476,-.3757;-.0796,2.0445,.5192;-2.9906,-1.7614,-.4866;-2.5369,2.2498,.3802;1.7387,1.5393,-.6333;3.9172,.7117,-1.1587;3.9412,1.412,.3244; 0.000000 2.295656 0.000000 5.035230 5.078892 0.000000 2.787471 1.405503 6.469171 0.000000 2.387369 2.415465 2.815869 3.740069 0.000000 2.858666 3.636680 2.411848 4.853081 1.398151 0.000000 3.623903 2.922148 2.413764 4.309367 1.399142 2.396217 0.000000 1.228380 1.362211 4.325043 2.406114 1.510670 2.495135 2.569805 0.000000 4.231770 4.783386 1.342505 6.091401 2.403603 1.392641 2.725971 3.775596 0.000000 4.758517 4.293357 1.339995 5.690764 2.404293 2.723062 1.395695 3.824248 2.286664 0.000000 2.588937 3.943002 3.384784 4.951944 2.155254 1.083825 3.385618 2.680551 2.161571 3.806411 0.000000 3.976076 2.711925 3.374993 3.985461 2.175924 3.397478 1.084779 2.835245 3.808924 2.148094 4.309835 0.000000 4.915314 5.735143 2.068548 6.989575 3.393795 2.153756 3.813604 4.647446 1.087888 3.258943 2.496353 4.896000 0.000000 5.716544 4.985359 2.067541 6.349604 3.393519 3.810678 2.153998 4.716927 3.260145 1.087889 4.893738 2.469747 4.128794 0.000000 3.176364 1.012702 4.829524 2.094525 2.536028 3.824861 2.602636 2.056401 4.763341 3.901909 4.334891 2.211252 5.769047 4.451111 0.000000 3.409075 1.983449 6.903061 1.018397 4.259983 5.289787 4.830888 3.018042 6.506694 6.161169 5.341991 4.534956 7.367811 6.810895 2.388850 0.000000 3.558334 1.974925 6.932955 1.017573 4.308648 5.543682 4.622526 3.100712 6.708535 6.008031 5.755287 4.074937 7.666674 6.532288 2.405085 1.640305 0.000000 3.5152382 0.8051579 0.6729245 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.8243,-1.4452,.4511;2.1713,.7234,-.2176;-2.8843,.2616,-.0683;3.5732,.6242,-.2043;-.0915,-.0793,.0465;-.9405,-1.1585,-.2172;-.6748,1.1727,.2695;1.3941,-.344,.1176;-2.3143,-.9368,-.2717;-2.0642,1.2862,.2026;-.5267,-2.1475,-.3759;-.0796,2.0445,.5197;-2.9905,-1.7613,-.4871;-2.5369,2.2498,.3804;1.7386,1.539,-.6337;3.9171,.7114,-1.1589;3.9412,1.4122,.324; 0.000000 2.295675 0.000000 5.035267 5.078793 0.000000 2.787517 1.405498 6.469082 0.000000 2.387368 2.415410 2.815871 3.740025 0.000000 2.858859 3.636542 2.411848 4.852986 1.398157 0.000000 3.623777 2.922181 2.413762 4.309363 1.399143 2.396219 0.000000 1.228379 1.362214 4.325029 2.406122 1.510651 2.495158 2.569761 0.000000 4.231917 4.783239 1.342508 6.091288 2.403606 1.392638 2.725971 3.775603 0.000000 4.758447 4.293338 1.339990 5.690727 2.404298 2.723064 1.395697 3.824218 2.286664 0.000000 2.589305 3.942845 3.384780 4.951846 2.155267 1.083827 3.385627 2.680614 2.161562 3.806414 0.000000 3.975819 2.712051 3.375004 3.985496 2.175907 3.397471 1.084780 2.835155 3.808927 2.148116 4.309832 0.000000 4.915531 5.734964 2.068552 6.989436 3.393798 2.153753 3.813604 4.647464 1.087888 3.258943 2.496338 4.896003 0.000000 5.716419 4.985372 2.067544 6.349583 3.393521 3.810680 2.153996 4.716884 3.260150 1.087890 4.893742 2.469771 4.128800 0.000000 3.176371 1.012704 4.829321 2.094534 2.535923 3.824562 2.602753 2.056390 4.763026 3.901893 4.334537 2.211695 5.768658 4.451190 0.000000 3.409212 1.983443 6.902937 1.018395 4.259949 5.289591 4.830982 3.018097 6.506478 6.161184 5.341723 4.535191 7.367516 6.810971 2.388829 0.000000 3.558299 1.974929 6.932853 1.017574 4.308585 5.543617 4.622455 3.100680 6.708444 6.007944 5.755253 4.074861 7.666579 6.532194 2.405141 1.640309 0.000000 3.5151003 0.8051497 0.6729540 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.8244,-1.445,.4519;2.1712,.7233,-.2178;-2.8842,.2616,-.0685;3.5732,.6242,-.2045;-.0915,-.0794,.0467;-.9405,-1.1584,-.2172;-.6748,1.1727,.2698;1.3941,-.344,.1179;-2.3143,-.9367,-.2719;-2.0642,1.2862,.2027;-.5267,-2.1475,-.3761;-.0796,2.0444,.5201;-2.9904,-1.7612,-.4876;-2.5369,2.2497,.3806;1.7385,1.5387,-.6342;3.917,.7113,-1.1591;3.9411,1.4123,.3237; 0.000000 2.295690 0.000000 5.035308 5.078696 0.000000 2.787567 1.405495 6.468999 0.000000 2.387375 2.415364 2.815867 3.739994 0.000000 2.859049 3.636402 2.411850 4.852896 1.398154 0.000000 3.623660 2.922219 2.413759 4.309363 1.399147 2.396224 0.000000 1.228379 1.362212 4.325020 2.406132 1.510643 2.495181 2.569725 0.000000 4.232072 4.783095 1.342502 6.091184 2.403602 1.392643 2.725969 3.775618 0.000000 4.758380 4.293317 1.339994 5.690689 2.404299 2.723071 1.395693 3.824190 2.286665 0.000000 2.589676 3.942695 3.384775 4.951764 2.155280 1.083828 3.385641 2.680685 2.161557 3.806421 0.000000 3.975568 2.712175 3.375017 3.985525 2.175892 3.397464 1.084782 2.835067 3.808928 2.148133 4.309833 0.000000 4.915747 5.734784 2.068553 6.989304 3.393792 2.153751 3.813602 4.647485 1.087889 3.258948 2.496318 4.896006 0.000000 5.716303 4.985393 2.067547 6.349567 3.393524 3.810687 2.153995 4.716850 3.260149 1.087890 4.893749 2.469802 4.128804 0.000000 3.176384 1.012705 4.829122 2.094541 2.535830 3.824278 2.602856 2.056381 4.762724 3.901865 4.334213 2.212095 5.768286 4.451260 0.000000 3.409404 1.983436 6.902829 1.018393 4.259946 5.289437 4.831074 3.018183 6.506299 6.161195 5.341525 4.535394 7.367264 6.811037 2.388800 0.000000 3.558228 1.974937 6.932743 1.017575 4.308517 5.543534 4.622378 3.100624 6.708343 6.007845 5.755207 4.074775 7.666469 6.532101 2.405201 1.640312 0.000000 3.5149578 0.8051408 0.6729822 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.8244,-1.4448,.4526;2.1712,.7232,-.2179;-2.8842,.2617,-.0686;3.5731,.6242,-.2046;-.0915,-.0794,.0468;-.9404,-1.1584,-.2173;-.6748,1.1727,.27;1.3941,-.3439,.1182;-2.3142,-.9367,-.2721;-2.0642,1.2861,.2028;-.5266,-2.1475,-.3762;-.0796,2.0443,.5204;-2.9903,-1.7611,-.488;-2.5369,2.2497,.3807;1.7384,1.5385,-.6345;3.917,.7112,-1.1592;3.941,1.4124,.3234; 0.000000 2.295699 0.000000 5.035343 5.078626 0.000000 2.787601 1.405493 6.468938 0.000000 2.387392 2.415343 2.815852 3.739985 0.000000 2.859193 3.636300 2.411855 4.852829 1.398143 0.000000 3.623578 2.922248 2.413756 4.309368 1.399149 2.396231 0.000000 1.228380 1.362208 4.325015 2.406138 1.510652 2.495200 2.569702 0.000000 4.232196 4.782992 1.342493 6.091110 2.403589 1.392654 2.725966 3.775634 0.000000 4.758334 4.293300 1.340004 5.690660 2.404290 2.723083 1.395685 3.824170 2.286668 0.000000 2.589959 3.942592 3.384772 4.951709 2.155290 1.083828 3.385657 2.680745 2.161559 3.806433 0.000000 3.975383 2.712262 3.375028 3.985548 2.175883 3.397460 1.084782 2.835001 3.808928 2.148141 4.309837 0.000000 4.915916 5.734653 2.068550 6.989208 3.393776 2.153753 3.813601 4.647504 1.087890 3.258956 2.496304 4.896007 0.000000 5.716225 4.985415 2.067548 6.349565 3.393523 3.810698 2.153998 4.716831 3.260144 1.087890 4.893759 2.469833 4.128803 0.000000 3.176394 1.012706 4.828983 2.094541 2.535777 3.824078 2.602935 2.056376 4.762510 3.901844 4.333991 2.212381 5.768020 4.451320 0.000000 3.409562 1.983429 6.902744 1.018391 4.259957 5.289327 4.831134 3.018252 6.506169 6.161189 5.341397 4.535525 7.367080 6.811080 2.388761 0.000000 3.558157 1.974945 6.932670 1.017575 4.308481 5.543472 4.622332 3.100576 6.708272 6.007779 5.755174 4.074724 7.666390 6.532052 2.405251 1.640314 0.000000 3.5148492 0.8051332 0.6730022 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.8244,-1.4448,.4526;2.1712,.7232,-.2179;-2.8842,.2617,-.0686;3.5731,.6242,-.2046;-.0915,-.0794,.0468;-.9404,-1.1584,-.2173;-.6748,1.1727,.27;1.3941,-.3439,.1182;-2.3142,-.9366,-.2721;-2.0642,1.2862,.2028;-.5266,-2.1475,-.3762;-.0796,2.0443,.5204;-2.9903,-1.7611,-.488;-2.5369,2.2497,.3807;1.7384,1.5385,-.6345;3.917,.7111,-1.1592;3.941,1.4124,.3234; 0.000000 2.295697 0.000000 5.035350 5.078622 0.000000 2.787598 1.405494 6.468935 0.000000 2.387403 2.415354 2.815840 3.739997 0.000000 2.859207 3.636295 2.411858 4.852823 1.398135 0.000000 3.623576 2.922249 2.413756 4.309372 1.399148 2.396235 0.000000 1.228380 1.362207 4.325017 2.406137 1.510665 2.495203 2.569702 0.000000 4.232213 4.782988 1.342488 6.091106 2.403579 1.392660 2.725967 3.775639 0.000000 4.758333 4.293295 1.340011 5.690658 2.404281 2.723090 1.395681 3.824169 2.286671 0.000000 2.589988 3.942594 3.384773 4.951708 2.155291 1.083827 3.385664 2.680757 2.161563 3.806439 0.000000 3.975370 2.712260 3.375031 3.985551 2.175884 3.397462 1.084781 2.834994 3.808928 2.148138 4.309841 0.000000 4.915940 5.734648 2.068546 6.989202 3.393766 2.153757 3.813602 4.647511 1.087890 3.258960 2.496306 4.896008 0.000000 5.716226 4.985422 2.067546 6.349576 3.393521 3.810704 2.154003 4.716836 3.260140 1.087889 4.893764 2.469844 4.128798 0.000000 3.176394 1.012706 4.828977 2.094539 2.535788 3.824068 2.602945 2.056377 4.762500 3.901844 4.333984 2.212399 5.768005 4.451337 0.000000 3.409565 1.983431 6.902728 1.018391 4.259961 5.289308 4.831133 3.018251 6.506151 6.161179 5.341383 4.535527 7.367056 6.811084 2.388750 0.000000 3.558150 1.974947 6.932677 1.017575 4.308500 5.543476 4.622344 3.100577 6.708278 6.007785 5.755181 4.074735 7.666395 6.532072 2.405259 1.640314 0.000000 3.5148387 0.8051318 0.6730031 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.8244,-1.4448,.4525;2.1712,.7232,-.2179;-2.8842,.2617,-.0686;3.5731,.6242,-.2046;-.0915,-.0794,.0468;-.9404,-1.1584,-.2173;-.6748,1.1727,.27;1.3941,-.3439,.1182;-2.3142,-.9367,-.2721;-2.0642,1.2862,.2028;-.5266,-2.1475,-.3762;-.0796,2.0443,.5204;-2.9903,-1.7611,-.488;-2.5369,2.2497,.3807;1.7384,1.5385,-.6345;3.917,.7112,-1.1592;3.9411,1.4124,.3234; 0.000000 2.295695 0.000000 5.035348 5.078632 0.000000 2.787591 1.405495 6.468944 0.000000 2.387405 2.415361 2.815839 3.740003 0.000000 2.859189 3.636310 2.411858 4.852832 1.398134 0.000000 3.623588 2.922244 2.413757 4.309372 1.399148 2.396236 0.000000 1.228379 1.362208 4.325019 2.406135 1.510668 2.495202 2.569706 0.000000 4.232200 4.783004 1.342488 6.091117 2.403577 1.392660 2.725968 3.775639 0.000000 4.758341 4.293296 1.340012 5.690662 2.404280 2.723090 1.395681 3.824172 2.286672 0.000000 2.589953 3.942611 3.384774 4.951716 2.155289 1.083827 3.385663 2.680751 2.161565 3.806440 0.000000 3.975395 2.712247 3.375030 3.985548 2.175886 3.397464 1.084781 2.835003 3.808929 2.148136 4.309842 0.000000 4.915922 5.734667 2.068545 6.989216 3.393766 2.153759 3.813603 4.647511 1.087890 3.258960 2.496311 4.896008 0.000000 5.716240 4.985422 2.067545 6.349580 3.393521 3.810704 2.154005 4.716842 3.260140 1.087889 4.893764 2.469844 4.128795 0.000000 3.176393 1.012707 4.828997 2.094539 2.535799 3.824097 2.602935 2.056378 4.762530 3.901847 4.334017 2.212358 5.768042 4.451333 0.000000 3.409540 1.983432 6.902739 1.018391 4.259963 5.289322 4.831124 3.018239 6.506168 6.161179 5.341400 4.535508 7.367080 6.811083 2.388755 0.000000 3.558158 1.974946 6.932690 1.017575 4.308511 5.543486 4.622353 3.100584 6.708291 6.007796 5.755189 4.074744 7.666409 6.532086 2.405253 1.640314 0.000000 3.5148528 0.8051324 0.6730000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.8244,-1.4448,.4526;2.1712,.7232,-.2179;-2.8842,.2617,-.0686;3.5731,.6242,-.2046;-.0915,-.0794,.0468;-.9404,-1.1584,-.2173;-.6748,1.1727,.27;1.3941,-.3439,.1182;-2.3142,-.9366,-.2721;-2.0642,1.2862,.2028;-.5266,-2.1475,-.3762;-.0796,2.0443,.5205;-2.9903,-1.7611,-.488;-2.5369,2.2497,.3807;1.7384,1.5385,-.6345;3.917,.7111,-1.1592;3.9411,1.4124,.3234; 0.000000 2.295697 0.000000 5.035353 5.078622 0.000000 2.787594 1.405495 6.468935 0.000000 2.387407 2.415358 2.815838 3.740000 0.000000 2.859210 3.636296 2.411859 4.852823 1.398133 0.000000 3.623576 2.922248 2.413757 4.309372 1.399148 2.396237 0.000000 1.228379 1.362208 4.325018 2.406136 1.510668 2.495205 2.569702 0.000000 4.232217 4.782989 1.342488 6.091105 2.403576 1.392660 2.725968 3.775641 0.000000 4.758335 4.293295 1.340011 5.690659 2.404280 2.723091 1.395681 3.824170 2.286672 0.000000 2.589992 3.942595 3.384773 4.951705 2.155290 1.083827 3.385664 2.680758 2.161564 3.806440 0.000000 3.975369 2.712260 3.375031 3.985553 2.175885 3.397464 1.084781 2.834994 3.808929 2.148138 4.309842 0.000000 4.915947 5.734650 2.068544 6.989202 3.393765 2.153759 3.813603 4.647514 1.087890 3.258960 2.496310 4.896009 0.000000 5.716228 4.985425 2.067545 6.349580 3.393521 3.810705 2.154005 4.716838 3.260140 1.087889 4.893765 2.469848 4.128795 0.000000 3.176393 1.012707 4.828976 2.094541 2.535790 3.824066 2.602948 2.056377 4.762497 3.901846 4.333979 2.212406 5.768002 4.451344 0.000000 3.409547 1.983432 6.902724 1.018391 4.259958 5.289297 4.831135 3.018241 6.506142 6.161182 5.341365 4.535536 7.367045 6.811094 2.388755 0.000000 3.558158 1.974947 6.932682 1.017575 4.308509 5.543483 4.622349 3.100584 6.708284 6.007790 5.755188 4.074739 7.666402 6.532080 2.405258 1.640314 0.000000 3.5148384 0.8051313 0.6730030 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.8244,-1.4448,.4526;2.1712,.7232,-.2179;-2.8842,.2617,-.0686;3.5731,.6242,-.2046;-.0915,-.0794,.0468;-.9404,-1.1584,-.2173;-.6748,1.1727,.27;1.3941,-.3439,.1182;-2.3142,-.9366,-.2721;-2.0642,1.2862,.2028;-.5266,-2.1475,-.3762;-.0796,2.0443,.5205;-2.9903,-1.7611,-.488;-2.5369,2.2497,.3807;1.7384,1.5385,-.6345;3.917,.7111,-1.1592;3.9411,1.4124,.3234; 0.000000 2.295697 0.000000 5.035353 5.078622 0.000000 2.787594 1.405495 6.468935 0.000000 2.387407 2.415358 2.815838 3.740000 0.000000 2.859210 3.636296 2.411859 4.852823 1.398133 0.000000 3.623576 2.922248 2.413757 4.309372 1.399148 2.396237 0.000000 1.228379 1.362208 4.325018 2.406136 1.510668 2.495205 2.569702 0.000000 4.232217 4.782989 1.342488 6.091105 2.403576 1.392660 2.725968 3.775641 0.000000 4.758335 4.293295 1.340011 5.690659 2.404280 2.723091 1.395681 3.824170 2.286672 0.000000 2.589992 3.942595 3.384773 4.951705 2.155290 1.083827 3.385664 2.680758 2.161564 3.806440 0.000000 3.975369 2.712260 3.375031 3.985553 2.175885 3.397464 1.084781 2.834994 3.808929 2.148138 4.309842 0.000000 4.915947 5.734650 2.068544 6.989202 3.393765 2.153759 3.813603 4.647514 1.087890 3.258960 2.496310 4.896009 0.000000 5.716228 4.985425 2.067545 6.349580 3.393521 3.810705 2.154005 4.716838 3.260140 1.087889 4.893765 2.469848 4.128795 0.000000 3.176393 1.012707 4.828976 2.094541 2.535790 3.824066 2.602948 2.056377 4.762497 3.901846 4.333979 2.212406 5.768002 4.451344 0.000000 3.409547 1.983432 6.902724 1.018391 4.259958 5.289297 4.831135 3.018241 6.506142 6.161182 5.341365 4.535536 7.367045 6.811094 2.388755 0.000000 3.558158 1.974947 6.932682 1.017575 4.308509 5.543483 4.622349 3.100584 6.708284 6.007790 5.755188 4.074739 7.666402 6.532080 2.405258 1.640314 0.000000 3.5148384 0.8051313 0.6730030 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 8 7 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 -0.004541825 0.018361990 -0.005703685 -0.030286154 -0.016361714 0.005988252 0.011291904 -0.000405613 0.000435104 0.016229156 0.003681154 -0.001007382 -0.005882270 0.011764854 -0.002713607 -0.003733569 -0.004639258 -0.000089727 -0.009223633 0.004897598 0.000870547 0.047341312 -0.011798045 0.000029570 -0.011044633 0.009752108 0.000835034 -0.016319625 -0.005901247 -0.001428619 0.002866118 0.002226777 0.000944242 0.001088165 -0.001785820 0.000381291 0.000034283 -0.002367864 -0.000511033 0.000572912 0.002222907 0.000424489 -0.006325632 -0.005721685 0.000286228 0.003910080 -0.002113490 0.000245324 0.004023412 -0.001812650 0.001013973 0.047341312 0.010277565 4 -472.325712680 PT13603.900S 2021-11-11T22:46:46.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 O N N N C C C C C C H H H H H H H -0.561521 -0.465706 -0.463913 -0.456013 0.079561 -0.102098 -0.119472 0.574544 0.080145 0.078168 0.124402 0.126557 0.120180 0.120242 0.295125 0.284616 0.285182 -0.00000 -10.23186 -10.23073 -10.22426 -10.21065 -10.20613 -1.04630 -0.97947 -0.94881 -0.83595 -0.79739 -0.76840 -0.65629 -0.63794 -0.59052 -0.56496 -0.51564 -0.51113 -0.48911 -0.47666 -0.44993 -0.43489 -0.41811 -0.41186 -0.39152 -0.36852 -0.29534 -0.28035 -0.27399 -0.26971 -0.26845 -0.25849 -0.05414 -0.02018 0.04538 0.07803 0.09822 0.12253 0.14163 0.14704 0.15884 0.17224 0.19200 0.19431 0.21983 0.26631 0.29726 0.30640 0.31659 0.36510 0.40059 0.45003 0.47918 0.50884 0.51391 0.54527 0.57030 0.57502 0.58054 0.59539 0.60404 0.61839 0.62902 0.63341 0.64458 0.65668 0.67607 0.68988 0.70945 0.72565 0.75997 0.79048 0.80051 0.80764 0.82384 0.84045 0.84533 0.85389 0.86713 0.87760 0.89614 0.91177 0.93149 0.95506 0.96381 0.98615 1.03765 1.05525 1.10601 1.11986 1.13294 1.17530 1.20954 1.22615 1.27604 1.29519 1.32432 1.34024 1.37407 1.38250 1.39450 1.40972 1.44094 1.47310 1.47484 1.50446 1.64506 1.67798 1.70794 1.73523 1.76898 1.77612 1.80455 1.82482 1.84617 1.88096 1.90649 1.91340 1.94095 1.94792 1.95097 1.98745 2.04083 2.06637 2.07466 2.11614 2.12877 2.15592 2.17189 2.20198 2.24268 2.27145 2.30213 2.30882 2.32847 2.34619 2.38362 2.39616 2.42269 2.43673 2.46175 2.48289 2.48867 2.51645 2.54337 2.57779 2.58955 2.61810 2.62762 2.68218 2.70148 2.71305 2.73132 2.76303 2.81460 2.85416 2.89245 2.93127 2.93902 3.01845 3.05187 3.09219 3.17638 3.23739 3.26883 3.31729 3.33018 3.42630 3.49775 3.51244 3.78629 3.95178 4.01889 4.07105 4.12195 4.13702 4.21634 4.32232 4.42498 4.49562 4.74065 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 O N N N C C C C C C H H H H H H H -0.550952 -0.446721 -0.462213 -0.463822 0.055655 -0.111066 -0.130042 0.583987 0.082379 0.084074 0.120362 0.123643 0.119476 0.120709 0.295892 0.288692 0.289946 -0.00000 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 2.0527 5.6139 -2.2750 6.3957 -61.0073 -50.3693 -56.3954 16.6872 -6.3260 2.0782 -5.0833 5.5547 -0.4714 16.6872 -6.3260 2.0782 58.7129 9.9152 -1.9508 -7.8103 36.5126 -18.5923 6.5263 -0.0257 -3.7944 -2.7665 -1576.0132 -369.1873 -78.6881 165.5070 -65.1796 17.5685 5.0318 -7.3893 -8.3337 -274.3638 -253.6270 -80.5455 5.2240 -5.7624 3.7243 0 -472.3257127 9.688E-9 2.522E-6 -3.779319,4.1297874,-0.3504684,12.4064894,-4.7032349,1.5450663 C01 [X(C6H7N3O1)] 0.8076083 2.2086599 -0.8950363 0.000002852 0.000002658 -0.000000695 -0.000000872 0.000002859 -0.000001962 -0.000000042 -0.000004450 0.000002660 -0.000000678 0.000004757 -0.000002992 0.000000751 -0.000000337 0.000000397 0.000001740 -0.000001663 0.000001591 -0.000001009 -0.000001085 0.000000357 0.000001032 0.000001701 -0.000000690 0.000001579 -0.000003843 0.000002707 -0.000001266 -0.000003150 0.000001422 0.000003242 -0.000001215 0.000001714 -0.000002102 -0.000000160 -0.000000589 0.000002543 -0.000004780 0.000003643 -0.000002516 -0.000003744 0.000001457 -0.000002371 0.000001949 -0.000001862 -0.000001568 0.000004898 -0.000003430 -0.000001314 0.000005604 -0.000003728 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.8244,-1.4448,.4526;2.1712,.7232,-.2179;-2.8842,.2617,-.0686;3.5731,.6242,-.2046;-.0915,-.0794,.0468;-.9404,-1.1584,-.2173;-.6748,1.1727,.27;1.3941,-.3439,.1182;-2.3142,-.9366,-.2721;-2.0642,1.2862,.2028;-.5266,-2.1475,-.3762;-.0796,2.0443,.5205;-2.9903,-1.7611,-.488;-2.5369,2.2497,.3807;1.7384,1.5385,-.6345;3.917,.7111,-1.1592;3.9411,1.4124,.3234; Gaussian 16 GINC-DIZZY GMALLOCI NEW-compound opt 6-31G** ES64L-G16RevA.03 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 0 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.8244,-1.4448,.4526;2.1712,.7232,-.2179;-2.8842,.2617,-.0686;3.5731,.6242,-.2046;-.0915,-.0794,.0468;-.9404,-1.1584,-.2173;-.6748,1.1727,.27;1.3941,-.3439,.1182;-2.3142,-.9366,-.2721;-2.0642,1.2862,.2028;-.5266,-2.1475,-.3762;-.0796,2.0443,.5205;-2.9903,-1.7611,-.488;-2.5369,2.2497,.3807;1.7384,1.5385,-.6345;3.917,.7111,-1.1592;3.9411,1.4124,.3234; NEW-compound opt 6-31G** 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 1 2 2 2 3 3 4 4 5 5 5 6 6 7 7 9 10 8 4 8 15 9 10 16 17 6 7 8 9 11 10 12 13 14 1.2284 1.4055 1.3622 1.0127 1.3425 1.34 1.0184 1.0176 1.3981 1.3991 1.5107 1.3927 1.0838 1.3957 1.0848 1.0879 1.0879 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 4 4 8 9 2 2 16 6 6 7 5 5 9 5 5 10 1 1 2 3 3 6 3 3 7 2 2 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 8 15 15 10 16 17 17 7 8 8 9 11 11 10 12 12 2 5 5 6 13 13 7 14 14 120.7612 119.1381 119.2351 116.9562 108.7772 108.1186 107.3497 117.8807 118.0921 123.9961 118.9147 120.0105 121.0748 118.6916 121.8115 119.4729 124.7112 120.9494 114.3391 123.7106 116.276 120.0133 123.8344 116.3834 119.7816 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 8 8 15 15 4 4 15 15 10 10 9 9 7 7 8 8 6 6 8 8 6 6 7 7 5 5 11 11 5 5 12 12 2 2 2 2 2 2 2 2 3 3 3 3 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 4 4 4 4 8 8 8 8 9 9 10 10 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 16 17 16 17 1 5 1 5 6 13 7 14 9 11 9 11 10 12 10 12 1 2 1 2 3 13 3 13 3 14 3 14 113.6339 -130.0933 -55.6351 60.6376 0.1423 -179.665 169.401 -10.4062 -0.0975 179.7879 0.6264 -179.1162 1.2359 -178.8113 179.2922 -0.755 -0.7553 177.4514 -178.687 -0.4803 -27.7266 152.0886 150.2011 -29.9837 -0.8433 179.2753 179.2044 -0.6769 -0.1937 179.5407 -178.4432 1.2911 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. 0.00076 0.00212 0.00412 0.01412 0.01607 0.01749 0.02197 0.02420 0.02631 0.02989 0.03521 0.03872 0.04507 0.05075 0.10911 0.11602 0.12563 0.12980 0.13509 0.16193 0.18662 0.19263 0.20616 0.21127 0.21796 0.22476 0.22641 0.23800 0.28289 0.34155 0.35370 0.35521 0.36494 0.36921 0.42044 0.42421 0.43939 0.44231 0.44784 0.45872 0.46819 0.47608 0.50187 0.54413 0.80416 Angle between quadratic step and forces= 80.23 degrees. 1 2 0.00001897 0.00000000 0.00000000 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 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 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 2.32130 2.65600 2.57420 1.91374 2.53694 2.53225 1.92448 1.92294 2.64209 2.64401 2.85475 2.63175 2.04814 2.63745 2.04994 2.05581 2.05581 2.10768 2.07935 2.08105 2.04127 1.89852 1.88703 1.87361 2.05741 2.06110 2.16414 2.07545 2.09458 2.11315 2.07156 2.12601 2.08520 2.17662 2.11097 1.99559 2.15916 2.02940 2.09463 2.16132 2.03127 2.09058 1.98329 -2.27056 -0.97102 1.05833 0.00248 -3.13575 2.95661 -0.18162 -0.00170 3.13789 0.01093 -3.12617 0.02157 -3.12085 3.12924 -0.01318 -0.01318 3.09711 -3.11868 -0.00838 -0.48392 2.65445 2.62150 -0.52331 -0.01472 3.12895 3.12771 -0.01181 -0.00338 3.13358 -3.11442 0.02253 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00003 0.00003 0.00003 0.00003 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00003 0.00003 0.00003 0.00003 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 2.32130 2.65600 2.57420 1.91374 2.53694 2.53225 1.92448 1.92294 2.64209 2.64401 2.85475 2.63175 2.04814 2.63745 2.04994 2.05581 2.05581 2.10768 2.07935 2.08105 2.04127 1.89852 1.88703 1.87360 2.05741 2.06109 2.16414 2.07545 2.09458 2.11315 2.07156 2.12601 2.08519 2.17662 2.11096 1.99560 2.15916 2.02940 2.09463 2.16132 2.03127 2.09058 1.98328 -2.27056 -0.97102 1.05832 0.00248 -3.13575 2.95660 -0.18163 -0.00170 3.13789 0.01093 -3.12617 0.02157 -3.12085 3.12924 -0.01318 -0.01318 3.09711 -3.11868 -0.00838 -0.48389 2.65448 2.62154 -0.52328 -0.01472 3.12895 3.12771 -0.01181 -0.00338 3.13358 -3.11442 0.02254 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000090 0.000019 0.000015 0.000010 0.000060 0.000040 YES YES NO YES -2.007460e-12 6-31G(d,p) (6D, 7F) 17 17 17 1.00e+00 60 F 0.000000 2.295697 0.000000 5.035353 5.078622 0.000000 2.787594 1.405495 6.468935 0.000000 2.387407 2.415358 2.815838 3.740000 0.000000 2.859210 3.636296 2.411859 4.852823 1.398133 0.000000 3.623576 2.922248 2.413757 4.309372 1.399148 2.396237 0.000000 1.228379 1.362208 4.325018 2.406136 1.510668 2.495205 2.569702 0.000000 4.232217 4.782989 1.342488 6.091105 2.403576 1.392660 2.725968 3.775641 0.000000 4.758335 4.293295 1.340011 5.690659 2.404280 2.723091 1.395681 3.824170 2.286672 0.000000 2.589992 3.942595 3.384773 4.951705 2.155290 1.083827 3.385664 2.680758 2.161564 3.806440 0.000000 3.975369 2.712260 3.375031 3.985553 2.175885 3.397464 1.084781 2.834994 3.808929 2.148138 4.309842 0.000000 4.915947 5.734650 2.068544 6.989202 3.393765 2.153759 3.813603 4.647514 1.087890 3.258960 2.496310 4.896009 0.000000 5.716228 4.985425 2.067545 6.349580 3.393521 3.810705 2.154005 4.716838 3.260140 1.087889 4.893765 2.469848 4.128795 0.000000 3.176393 1.012707 4.828976 2.094541 2.535790 3.824066 2.602948 2.056377 4.762497 3.901846 4.333979 2.212406 5.768002 4.451344 0.000000 3.409547 1.983432 6.902724 1.018391 4.259958 5.289297 4.831135 3.018241 6.506142 6.161182 5.341365 4.535536 7.367045 6.811094 2.388755 0.000000 3.558158 1.974947 6.932682 1.017575 4.308509 5.543483 4.622349 3.100584 6.708284 6.007790 5.755188 4.074739 7.666402 6.532080 2.405258 1.640314 0.000000 3.5148384 0.8051313 0.6730030 1 -472.325712680 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111 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. Keep R1 ints in memory in canonical form, NReq=212603069. There are 54 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 51 vectors produced by pass 0 Test12= 9.93D-15 1.85D-09 XBig12= 1.17D+02 6.35D+00. AX will form 51 AO Fock derivatives at one time. 51 vectors produced by pass 1 Test12= 9.93D-15 1.85D-09 XBig12= 2.36D+01 1.22D+00. 51 vectors produced by pass 2 Test12= 9.93D-15 1.85D-09 XBig12= 1.66D-01 8.07D-02. 51 vectors produced by pass 3 Test12= 9.93D-15 1.85D-09 XBig12= 9.08D-04 4.21D-03. 51 vectors produced by pass 4 Test12= 9.93D-15 1.85D-09 XBig12= 2.25D-06 1.65D-04. 37 vectors produced by pass 5 Test12= 9.93D-15 1.85D-09 XBig12= 2.45D-09 5.26D-06. 6 vectors produced by pass 6 Test12= 9.93D-15 1.85D-09 XBig12= 2.22D-12 1.80D-07. 2 vectors produced by pass 7 Test12= 9.93D-15 1.85D-09 XBig12= 2.22D-15 4.67D-09. InvSVY: IOpt=1 It= 1 EMax= 6.22D-15 Solved reduced A of dimension 300 with 54 vectors. Isotropic polarizability for W= 0.000000 102.89 Bohr**3. End of Minotr F.D. properties file 721 does not exist. PT2552.700S 2021-11-11T22:47:29.000 -10.23186 -10.23073 -10.22426 -10.21065 -10.20613 -1.04630 -0.97947 -0.94881 -0.83595 -0.79739 -0.76840 -0.65629 -0.63794 -0.59052 -0.56496 -0.51564 -0.51113 -0.48911 -0.47666 -0.44993 -0.43489 -0.41811 -0.41186 -0.39152 -0.36852 -0.29534 -0.28035 -0.27399 -0.26971 -0.26845 -0.25849 -0.05414 -0.02018 0.04538 0.07803 0.09822 0.12253 0.14163 0.14704 0.15884 0.17224 0.19200 0.19431 0.21983 0.26631 0.29726 0.30640 0.31659 0.36510 0.40059 0.45003 0.47918 0.50884 0.51391 0.54527 0.57030 0.57502 0.58054 0.59539 0.60404 0.61839 0.62902 0.63341 0.64458 0.65668 0.67607 0.68988 0.70945 0.72565 0.75997 0.79048 0.80051 0.80764 0.82384 0.84045 0.84533 0.85389 0.86713 0.87760 0.89614 0.91177 0.93149 0.95506 0.96381 0.98615 1.03765 1.05525 1.10601 1.11986 1.13294 1.17530 1.20954 1.22615 1.27604 1.29519 1.32432 1.34024 1.37407 1.38250 1.39450 1.40972 1.44094 1.47310 1.47484 1.50446 1.64506 1.67798 1.70794 1.73523 1.76898 1.77612 1.80455 1.82482 1.84617 1.88096 1.90649 1.91340 1.94095 1.94792 1.95097 1.98745 2.04083 2.06637 2.07466 2.11614 2.12877 2.15592 2.17189 2.20198 2.24268 2.27145 2.30213 2.30882 2.32847 2.34619 2.38362 2.39616 2.42269 2.43673 2.46175 2.48289 2.48867 2.51645 2.54337 2.57779 2.58955 2.61810 2.62762 2.68218 2.70148 2.71305 2.73132 2.76303 2.81460 2.85416 2.89245 2.93127 2.93902 3.01845 3.05187 3.09219 3.17638 3.23739 3.26883 3.31729 3.33018 3.42630 3.49775 3.51244 3.78629 3.95178 4.01889 4.07105 4.12195 4.13702 4.21634 4.32232 4.42498 4.49562 4.74065 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 O N N N C C C C C C H H H H H H H -0.550952 -0.446721 -0.462214 -0.463822 0.055655 -0.111065 -0.130042 0.583987 0.082379 0.084075 0.120362 0.123643 0.119476 0.120709 0.295892 0.288692 0.289946 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 O N N N C C C C C C -0.550952 -0.150829 -0.462214 0.114816 0.055655 0.009297 -0.006399 0.583987 0.201854 0.204784 0.00000 139.643 4.509 121.304 2.030 7.531 47.715 163.027 0.454 160.183 4.714 7.883 60.602 -43.7758 -17.8223 -7.5018 -0.0010 -0.0010 -0.0005 41.1107 109.3623 137.0877 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 31.5381 109.3105 137.0106 161.2761 227.8465 312.3567 355.5316 390.3471 413.4920 501.8620 537.2773 679.5867 685.0241 723.9095 774.0494 853.0595 860.8379 899.3697 986.9706 990.9386 1003.7390 1012.3332 1061.2240 1093.5159 1118.1315 1216.2971 1247.7701 1293.4204 1308.1423 1337.1741 1358.2470 1447.5170 1531.5036 1552.0940 1607.1182 1650.3511 1686.5484 1761.6348 3172.5984 3176.2004 3211.5728 3227.4384 3478.4358 3563.8075 3583.8429 4.5648 4.7787 3.4307 1.3089 4.5791 5.6608 6.4526 2.6147 5.7379 1.3533 3.2038 6.8510 6.8672 3.9627 2.6196 2.6928 1.8208 1.2526 1.9557 1.6713 1.4534 6.9072 4.0946 1.7573 1.5667 2.8684 1.3244 6.1672 2.5293 1.1456 1.3916 1.9360 1.9979 1.8312 7.2126 5.3712 1.2328 6.1266 1.0881 1.0919 1.0937 1.0932 1.0478 1.0965 1.0783 0.0027 0.0336 0.0379 0.0201 0.1401 0.3254 0.4806 0.2347 0.5780 0.2008 0.5449 1.8642 1.8986 1.2235 0.9247 1.1545 0.7950 0.5970 1.1224 0.9669 0.8628 4.1706 2.7169 1.2381 1.1541 2.5002 1.2149 6.0787 2.5501 1.2069 1.5126 2.3900 2.7609 2.5991 10.9758 8.6193 2.0660 11.2021 6.4528 6.4902 6.6465 6.7092 7.4696 8.2054 8.1596 13.7150 5.2989 24.5891 117.1567 3.1758 6.7895 1.3903 0.1658 11.9349 74.4132 30.5583 1.3731 62.7516 24.6697 12.1188 82.6296 14.7686 1.5879 52.4850 49.6441 0.6523 8.4258 46.5331 8.2972 0.7938 31.3011 3.5039 27.7820 137.5838 2.0300 2.0411 30.9759 21.9935 162.9695 46.6716 25.1482 30.0405 431.0351 51.1395 22.2962 10.9396 6.0097 2.7338 7.1391 44.3754 0.02 0.07 0.29 -0.03 -0.04 -0.12 0.02 0.02 -0.07 -0.03 -0.01 -0.18 0.00 -0.02 0.05 0.01 0.02 -0.15 0.00 -0.05 0.19 0.00 -0.00 0.09 0.02 0.04 -0.21 0.01 -0.03 0.14 0.01 0.04 -0.27 0.01 -0.09 0.34 0.03 0.08 -0.37 -0.00 -0.05 0.25 -0.08 -0.14 -0.27 -0.08 -0.19 -0.21 -0.02 0.10 -0.35 -0.04 0.05 0.13 0.03 -0.07 -0.24 -0.02 -0.02 0.20 0.03 0.05 0.25 0.00 -0.00 -0.20 -0.02 0.01 -0.16 0.03 -0.01 -0.11 -0.00 -0.00 -0.12 -0.03 -0.00 0.05 0.02 -0.02 0.10 -0.05 0.01 -0.23 0.06 -0.02 -0.16 -0.06 0.00 0.11 0.03 -0.03 0.22 0.08 -0.10 -0.34 0.36 -0.01 0.36 -0.22 0.13 0.31 0.09 -0.08 -0.00 -0.10 -0.06 -0.11 0.04 0.11 -0.08 -0.09 0.21 0.02 0.00 -0.12 0.07 -0.07 -0.06 0.08 0.09 -0.08 0.05 0.01 -0.11 -0.01 -0.05 0.06 0.01 0.11 0.05 -0.04 -0.15 -0.10 0.11 0.14 -0.12 0.07 -0.11 0.11 -0.00 0.18 0.09 -0.09 -0.21 -0.04 0.05 -0.00 0.61 0.09 -0.30 0.10 0.34 -0.04 0.01 0.03 0.03 -0.03 -0.06 -0.01 -0.03 -0.01 0.03 -0.05 -0.06 0.00 0.04 0.02 0.02 0.02 0.01 -0.03 0.03 0.01 0.00 0.02 0.01 0.02 -0.01 -0.01 -0.04 -0.01 0.00 0.05 0.03 0.01 -0.06 0.05 0.02 0.05 -0.03 -0.02 -0.06 -0.02 0.00 0.04 0.12 0.24 0.06 0.64 0.02 0.03 -0.44 0.53 0.02 -0.01 0.13 -0.04 0.07 0.28 0.01 0.02 0.17 -0.04 0.04 -0.16 0.01 -0.08 -0.17 -0.04 -0.03 -0.18 0.08 -0.04 -0.20 0.00 -0.04 0.06 -0.05 0.02 0.01 0.08 0.01 -0.01 -0.11 -0.05 -0.24 0.12 -0.07 -0.24 -0.11 0.05 0.10 0.14 0.03 0.05 -0.10 -0.01 0.19 -0.33 0.49 -0.22 0.13 -0.21 0.10 0.31 0.23 -0.01 0.03 0.14 -0.00 -0.09 0.07 -0.06 0.01 -0.22 0.05 -0.04 -0.13 -0.03 -0.15 -0.09 0.04 -0.02 -0.14 0.04 0.03 0.09 -0.07 -0.16 0.03 0.01 -0.01 -0.01 0.01 -0.27 -0.14 0.03 0.03 -0.18 0.07 -0.21 0.07 0.01 0.08 0.03 0.02 0.19 0.13 -0.20 0.10 -0.08 0.10 0.21 -0.47 0.28 0.11 -0.12 0.03 0.23 -0.12 0.02 -0.25 0.02 0.00 0.30 0.19 -0.06 0.00 -0.00 0.02 -0.13 0.07 -0.00 -0.15 -0.03 -0.03 0.16 -0.09 0.06 -0.17 0.06 -0.02 -0.18 -0.02 -0.01 -0.23 0.03 -0.03 -0.23 0.04 -0.06 -0.11 0.02 -0.05 -0.12 0.00 0.01 0.14 -0.03 0.28 0.17 0.11 -0.12 0.12 0.42 -0.27 -0.01 0.00 -0.00 -0.00 0.01 0.01 0.01 0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.02 -0.05 0.20 0.02 0.03 -0.18 -0.00 0.00 -0.01 0.01 0.04 -0.18 -0.00 -0.04 0.18 -0.03 -0.09 0.42 0.03 0.08 -0.39 0.03 0.10 -0.49 -0.02 -0.10 0.50 0.01 -0.01 -0.03 -0.01 0.02 -0.00 0.00 -0.00 0.01 0.30 -0.04 -0.05 -0.12 -0.10 -0.09 -0.05 -0.05 0.19 -0.17 -0.09 0.05 0.01 0.05 0.20 0.06 0.12 -0.10 -0.05 0.12 -0.15 0.02 -0.07 0.16 0.04 0.05 -0.10 -0.06 0.04 -0.08 0.10 0.16 -0.25 -0.12 0.22 -0.31 0.11 0.03 -0.24 -0.10 0.04 -0.15 -0.17 0.10 0.36 -0.06 -0.22 0.08 -0.18 -0.06 0.01 -0.05 0.04 -0.00 0.02 -0.01 -0.07 0.03 0.01 0.02 0.02 0.00 0.00 -0.02 -0.05 0.01 -0.02 -0.06 -0.01 0.02 -0.05 -0.02 -0.02 0.07 0.05 -0.02 -0.01 -0.01 0.04 -0.00 -0.01 -0.04 -0.06 -0.02 0.03 -0.06 -0.01 -0.05 0.03 -0.02 0.07 0.01 -0.01 0.02 0.44 0.83 0.02 -0.19 -0.01 0.02 0.11 -0.16 -0.12 0.03 -0.05 0.06 0.07 -0.02 0.01 -0.02 0.16 0.10 0.03 -0.01 -0.04 -0.10 0.26 -0.04 -0.07 -0.02 0.03 -0.05 -0.01 -0.03 0.08 0.05 -0.03 -0.00 -0.11 0.05 0.01 -0.10 -0.05 -0.04 -0.28 0.11 -0.04 -0.26 -0.06 0.09 -0.35 0.08 0.08 -0.34 0.12 -0.16 -0.55 0.12 0.13 0.01 0.08 -0.02 0.08 -0.02 -0.02 -0.01 -0.00 -0.00 -0.01 0.00 0.13 0.02 -0.00 -0.00 -0.00 -0.00 -0.14 -0.04 0.23 -0.24 -0.03 -0.28 -0.20 -0.06 0.02 0.01 0.03 0.29 0.21 0.07 -0.23 0.26 0.04 0.04 -0.32 -0.06 -0.11 -0.31 -0.05 0.24 0.25 0.08 -0.16 0.29 0.06 -0.02 -0.05 -0.10 0.01 0.01 0.01 -0.00 -0.02 0.02 0.14 0.06 -0.02 0.03 -0.14 0.05 0.31 -0.03 -0.01 0.15 0.02 -0.01 -0.31 0.04 -0.02 -0.09 -0.20 -0.07 -0.07 0.25 0.03 -0.14 -0.04 0.02 -0.06 -0.19 -0.02 -0.05 0.22 0.06 0.16 -0.12 0.04 0.15 0.09 0.05 -0.33 -0.00 0.08 -0.37 0.07 0.08 0.10 -0.15 -0.05 -0.03 0.25 -0.06 -0.08 0.21 -0.11 -0.02 -0.02 -0.10 0.01 0.01 -0.07 -0.00 0.04 -0.16 0.01 0.00 -0.01 0.01 -0.02 0.08 -0.01 0.01 -0.15 0.03 -0.01 -0.16 -0.00 0.11 0.33 -0.04 -0.03 0.13 0.02 -0.06 0.13 -0.04 -0.02 -0.00 0.04 -0.06 0.02 -0.08 -0.10 0.51 0.03 -0.13 0.52 -0.00 -0.14 -0.36 0.09 0.04 0.03 0.01 -0.06 0.09 0.01 -0.01 -0.06 0.00 -0.01 -0.03 -0.01 -0.03 0.14 -0.00 -0.00 -0.00 0.01 0.04 -0.18 -0.01 -0.02 0.05 0.00 -0.02 0.06 0.00 0.06 0.19 -0.01 0.02 -0.14 0.02 0.02 -0.13 -0.03 -0.12 0.63 -0.01 -0.16 0.60 -0.03 -0.02 0.09 0.01 -0.02 0.09 -0.02 -0.10 -0.18 0.03 0.02 0.01 -0.01 -0.03 0.04 -0.02 -0.14 0.05 0.05 0.17 -0.06 0.07 -0.01 0.00 -0.11 0.06 -0.03 0.01 -0.00 -0.00 -0.04 -0.06 -0.01 -0.03 0.07 0.01 0.16 -0.04 0.00 -0.07 -0.07 -0.02 -0.05 0.08 0.01 -0.03 -0.05 -0.01 -0.02 0.07 0.01 -0.17 0.01 -0.01 -0.16 0.03 -0.01 -0.07 0.15 0.03 0.31 -0.51 0.10 0.38 -0.41 0.29 -0.01 0.01 0.04 -0.01 0.03 0.01 -0.01 -0.01 0.02 0.02 -0.00 0.01 -0.01 -0.04 0.16 0.01 0.01 -0.06 0.00 0.02 -0.08 -0.01 -0.05 -0.15 0.01 0.02 -0.05 -0.00 0.02 -0.07 -0.00 -0.05 0.34 -0.03 -0.12 0.51 -0.01 -0.09 0.46 -0.04 -0.11 0.54 0.01 0.07 0.07 0.00 -0.01 -0.00 0.02 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 0.02 0.01 0.02 -0.09 -0.01 -0.03 0.07 0.00 -0.00 -0.01 0.00 0.01 -0.07 -0.00 -0.01 0.05 -0.01 -0.10 0.61 0.02 0.13 -0.55 -0.04 -0.08 0.41 0.03 0.07 -0.29 0.01 0.01 0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 0.01 0.08 -0.02 0.09 -0.13 0.05 -0.02 0.00 0.01 -0.09 0.10 -0.04 -0.03 0.01 -0.00 0.00 -0.01 0.05 0.00 -0.02 0.06 -0.06 0.01 -0.00 0.02 0.03 -0.04 0.02 -0.01 -0.08 0.01 0.05 -0.31 0.03 0.07 -0.36 0.02 -0.06 0.31 0.02 -0.12 0.49 0.04 -0.18 0.02 0.19 -0.35 0.04 0.16 -0.25 0.24 -0.01 -0.05 0.01 -0.06 0.08 -0.04 0.05 -0.01 0.01 0.05 -0.07 0.03 0.03 0.00 -0.03 -0.02 0.01 0.06 -0.03 -0.03 0.08 0.06 0.00 0.02 -0.01 -0.00 -0.05 -0.01 0.03 -0.08 -0.06 0.06 -0.36 -0.04 0.13 -0.44 -0.06 -0.06 0.32 -0.08 -0.11 0.50 -0.02 0.12 -0.02 -0.17 0.28 -0.03 -0.15 0.19 -0.19 0.00 -0.00 -0.00 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 0.09 0.01 0.02 -0.06 -0.00 0.00 0.00 0.01 0.03 -0.13 -0.01 -0.02 0.10 -0.03 0.06 -0.45 -0.00 -0.06 0.25 -0.03 -0.14 0.66 0.01 0.10 -0.48 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 -0.01 0.02 -0.04 0.02 0.41 -0.06 0.02 -0.01 0.03 -0.01 0.01 -0.00 0.02 -0.16 0.37 0.05 -0.24 -0.30 -0.11 -0.02 -0.00 -0.01 -0.01 0.04 0.02 -0.02 -0.04 0.01 -0.31 0.32 0.13 -0.30 -0.35 0.10 0.01 0.05 -0.06 -0.02 -0.01 -0.14 -0.01 -0.08 -0.02 0.07 -0.10 0.01 0.05 -0.07 0.08 -0.06 0.08 -0.02 0.13 -0.14 0.05 0.02 0.03 0.01 -0.18 -0.05 0.02 0.19 0.01 0.05 0.02 -0.04 -0.02 -0.00 -0.03 -0.03 0.22 0.13 -0.05 -0.14 -0.14 -0.04 -0.07 0.12 0.03 0.14 -0.01 0.06 0.00 -0.06 0.09 -0.31 -0.02 -0.02 -0.07 0.14 0.00 0.03 -0.22 0.01 -0.41 0.29 -0.04 -0.44 0.22 -0.18 0.01 -0.02 0.01 -0.03 0.02 -0.01 -0.06 0.02 -0.00 0.04 0.01 -0.01 -0.03 0.01 -0.01 0.06 0.08 0.03 0.01 -0.10 -0.02 -0.05 -0.03 0.01 -0.05 -0.12 -0.03 -0.00 0.12 0.02 0.68 0.34 0.02 0.34 -0.31 -0.09 0.00 -0.18 0.00 0.16 0.19 0.07 -0.00 0.05 0.01 0.08 -0.06 0.01 0.09 -0.05 0.04 -0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.02 -0.07 -0.02 -0.01 0.00 -0.00 0.02 -0.04 -0.00 -0.07 0.07 0.00 0.10 0.01 0.01 -0.01 0.00 0.01 0.06 -0.01 0.01 -0.09 0.09 0.01 -0.49 -0.10 -0.01 0.57 -0.27 -0.07 0.34 -0.22 -0.04 -0.35 -0.02 -0.01 0.05 0.03 0.02 -0.02 0.01 -0.00 -0.01 0.01 -0.01 -0.02 0.07 -0.02 -0.17 -0.05 0.02 0.01 0.00 0.00 0.14 0.03 -0.02 0.25 -0.04 0.00 0.04 -0.01 -0.00 0.02 0.01 0.00 -0.08 -0.02 0.00 -0.07 -0.09 -0.02 -0.04 0.10 0.02 -0.33 -0.16 -0.03 -0.39 0.29 0.03 -0.08 -0.09 -0.03 -0.01 0.13 0.02 -0.41 -0.16 0.06 0.29 -0.24 0.02 0.21 -0.15 0.17 0.01 -0.02 0.00 0.04 0.01 -0.00 -0.03 0.01 -0.00 -0.03 -0.00 0.00 -0.05 0.02 0.00 -0.03 0.00 -0.00 -0.05 0.00 -0.00 0.01 0.00 -0.00 0.04 -0.09 -0.01 0.07 0.06 0.02 -0.32 -0.11 -0.03 -0.28 0.14 0.03 0.42 -0.39 -0.05 0.56 0.29 0.10 0.09 0.03 -0.03 -0.04 0.04 -0.00 -0.04 0.03 -0.03 -0.00 0.01 0.00 -0.10 -0.03 0.01 0.03 0.29 0.06 0.07 -0.01 0.00 -0.07 0.29 0.05 -0.19 -0.10 -0.03 0.13 -0.13 -0.02 0.14 0.04 -0.04 0.21 -0.18 -0.02 -0.20 -0.17 -0.05 -0.02 -0.03 -0.01 0.15 -0.15 -0.03 0.09 -0.06 -0.01 0.06 -0.04 0.01 -0.62 -0.25 0.12 0.09 -0.09 0.01 0.09 -0.06 0.06 0.04 -0.05 0.01 0.08 0.05 -0.02 0.02 0.10 0.02 -0.06 0.02 -0.00 0.14 0.06 0.01 -0.01 -0.02 -0.00 0.06 -0.05 -0.00 -0.22 -0.07 0.02 0.02 -0.08 -0.01 -0.11 -0.02 -0.01 -0.06 -0.05 -0.01 -0.18 0.11 0.02 -0.16 0.07 -0.01 -0.10 -0.01 -0.01 0.78 0.35 -0.15 -0.10 0.08 -0.01 -0.03 0.05 -0.06 -0.00 0.01 -0.00 -0.00 -0.03 -0.05 0.00 -0.00 0.00 0.00 0.04 0.07 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 -0.02 0.02 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.03 -0.04 -0.03 -0.68 0.04 -0.16 0.68 -0.16 -0.08 -0.01 0.01 -0.01 0.02 0.00 0.00 0.01 0.05 0.01 -0.01 -0.00 -0.00 -0.01 -0.13 -0.02 -0.09 0.00 -0.00 0.07 -0.01 0.00 0.01 0.01 0.01 0.02 0.02 0.00 -0.01 0.02 0.00 0.43 0.21 0.05 -0.42 0.32 0.06 0.41 -0.29 -0.03 -0.40 -0.15 -0.06 -0.03 -0.03 -0.01 0.01 0.01 0.01 -0.03 0.01 -0.01 -0.01 0.01 -0.00 0.02 0.01 -0.00 -0.01 -0.13 -0.03 -0.00 -0.00 0.00 -0.01 -0.06 -0.01 -0.12 0.03 -0.00 0.11 0.01 0.01 0.01 -0.00 0.01 0.12 0.02 0.01 -0.12 0.04 0.00 0.19 0.16 0.04 -0.16 0.21 0.04 -0.38 0.45 0.06 0.53 0.36 0.12 -0.06 -0.03 0.01 0.00 0.02 0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.07 -0.04 0.01 0.08 -0.01 0.00 0.02 0.02 -0.01 0.11 -0.00 0.01 -0.08 -0.08 -0.02 -0.05 0.09 0.02 0.03 0.02 -0.00 -0.08 0.11 0.02 -0.10 -0.08 -0.02 0.35 0.07 0.03 0.33 -0.15 -0.02 0.41 -0.28 -0.03 0.45 0.17 0.07 0.34 0.14 -0.05 -0.04 -0.11 -0.03 -0.04 -0.04 0.11 -0.01 -0.01 0.00 -0.15 -0.08 0.03 -0.04 -0.01 -0.00 0.05 0.04 -0.02 -0.06 0.01 -0.00 -0.01 0.02 0.00 0.02 -0.03 -0.01 0.12 0.06 -0.01 0.05 -0.04 -0.00 0.05 0.04 0.01 -0.08 0.00 -0.00 -0.16 0.07 0.03 -0.15 0.13 0.02 -0.17 -0.06 -0.03 0.74 0.28 -0.14 -0.13 -0.25 -0.09 -0.12 -0.09 0.26 0.04 -0.05 0.02 0.01 0.01 0.00 -0.02 -0.27 -0.06 -0.00 -0.00 0.00 0.04 0.42 0.08 -0.12 -0.22 -0.05 0.13 -0.27 -0.05 -0.06 0.03 -0.03 -0.11 0.23 0.04 0.11 0.20 0.05 0.25 -0.09 -0.00 -0.38 0.04 -0.00 0.32 -0.12 -0.01 -0.32 -0.00 -0.03 -0.12 -0.05 0.00 0.02 0.03 0.01 0.04 0.00 -0.03 0.00 -0.01 0.00 -0.01 -0.00 0.00 0.11 0.00 0.01 0.01 0.00 -0.00 -0.23 -0.00 -0.01 0.32 0.06 0.03 0.27 -0.10 -0.00 0.04 0.02 -0.01 -0.24 0.08 -0.00 -0.26 -0.05 -0.03 -0.36 -0.21 -0.06 -0.30 0.28 0.06 0.17 -0.28 -0.04 0.26 0.23 0.07 0.06 0.02 -0.02 -0.06 -0.06 -0.03 -0.06 -0.02 0.07 -0.02 0.05 -0.01 -0.05 -0.03 0.01 0.00 -0.00 -0.00 -0.06 -0.01 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.06 -0.06 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.01 0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.24 0.08 -0.03 0.52 0.37 0.22 0.51 0.06 -0.44 0.12 -0.28 0.08 -0.04 -0.10 0.04 0.00 0.01 0.00 -0.03 0.00 -0.00 0.02 -0.08 -0.00 0.00 0.03 0.00 0.00 0.02 0.00 -0.15 0.51 -0.15 0.01 -0.02 -0.00 -0.01 -0.01 -0.00 -0.04 0.03 0.02 0.02 0.02 0.01 -0.04 0.03 0.00 0.02 0.00 0.00 -0.08 -0.13 0.00 0.43 0.25 0.17 0.42 0.01 -0.30 -0.00 -0.00 0.00 0.00 -0.00 -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 -0.04 -0.04 -0.01 0.03 -0.05 -0.01 0.03 -0.07 -0.01 -0.07 -0.10 -0.03 0.42 0.51 0.13 -0.32 0.63 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 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 0.01 0.00 -0.00 0.00 0.00 0.04 0.05 0.01 0.03 -0.05 -0.01 -0.04 0.10 0.02 -0.09 -0.14 -0.04 -0.45 -0.54 -0.14 -0.29 0.58 0.11 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.05 -0.07 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.02 -0.00 -0.01 0.02 0.00 0.54 0.78 0.22 -0.02 -0.03 -0.01 -0.09 0.18 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 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.37 0.90 0.15 -0.01 -0.01 -0.00 0.09 0.10 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 0.03 0.04 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 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 -0.25 -0.02 0.72 -0.23 -0.48 -0.37 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.04 -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 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.21 -0.06 0.60 0.27 0.59 0.40 -0.00 0.00 -0.00 0.03 -0.06 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 -0.41 0.81 -0.41 0.00 0.00 -0.01 0.00 0.00 0.00 8 7 7 7 6 6 6 6 6 6 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 8 7 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 15.99491 14.00307 14.00307 14.00307 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 137.05891 513.46349 2241.54897 2681.62438 0.99997 -0.00798 -2.0E-5 0.00798 0.99997 -1.3E-4 2.0E-5 1.3E-4 1.0 asymmetric 1 0.16869 0.03864 0.03230 3.51484 0.80513 0.67300 348904.3 45.38 157.27 197.13 232.04 327.82 449.41 511.53 561.62 594.92 722.07 773.02 977.77 985.60 1041.54 1113.68 1227.36 1238.55 1293.99 1420.03 1425.74 1444.16 1456.52 1526.86 1573.33 1608.74 1749.98 1795.26 1860.94 1882.12 1923.90 1954.21 2082.65 2203.49 2233.12 2312.28 2374.49 2426.57 2534.60 4564.66 4569.84 4620.74 4643.56 5004.69 5127.52 5156.35 0.132891 0.141850 0.142794 0.097883 -472.192822 -472.183863 -472.182918 -472.227830 89.012 32.562 94.524 0.000 0.000 0.000 0.889 2.981 40.658 0.889 2.981 29.513 87.235 26.601 24.352 1 0.594 1.983 5.730 2 0.606 1.942 3.281 3 0.614 1.916 2.845 4 0.622 1.890 2.535 5 0.651 1.799 1.896 6 0.701 1.650 1.350 7 0.731 1.564 1.142 8 0.758 1.491 0.999 9 0.777 1.441 0.914 10 0.857 1.246 0.653 11 0.892 1.168 0.571 0.948242e-45 -45.023081 -103.669475 0.126567e+17 16.102320 37.076962 0.239073e-58 -58.621469 -134.980921 1 0.656427e+01 0.817186 1.881641 2 0.187394e+01 0.272756 0.628044 3 0.148527e+01 0.171805 0.395596 4 0.125304e+01 0.097966 0.225574 5 0.865245e+00 -0.062861 -0.144743 6 0.604544e+00 -0.218572 -0.503281 7 0.517066e+00 -0.286454 -0.659584 8 0.459812e+00 -0.337420 -0.776938 9 0.426752e+00 -0.369824 -0.851552 10 0.326945e+00 -0.485526 -1.117965 11 0.295643e+00 -0.529232 -1.218602 0.319104e+03 2.503932 5.765516 1 0.708328e+01 0.850234 1.957737 2 0.243950e+01 0.387301 0.891793 3 0.206717e+01 0.315376 0.726181 4 0.184912e+01 0.266964 0.614708 5 0.149932e+01 0.175895 0.405014 6 0.128452e+01 0.108741 0.250386 7 0.121928e+01 0.086102 0.198257 8 0.117928e+01 0.071618 0.164908 9 0.115736e+01 0.063467 0.146138 10 0.109740e+01 0.040367 0.092948 11 0.108087e+01 0.033772 0.077762 0.100000e+01 0.000000 0.000000 0.630688e+08 7.799815 17.959737 0.628888e+06 5.798573 13.351709 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 2.0527 5.6139 -2.2750 6.3957 -61.0073 -50.3693 -56.3954 16.6871 -6.3260 2.0782 -5.0833 5.5547 -0.4714 16.6871 -6.3260 2.0782 58.7130 9.9152 -1.9508 -7.8103 36.5126 -18.5923 6.5263 -0.0257 -3.7944 -2.7665 -1576.0134 -369.1872 -78.6881 165.5070 -65.1796 17.5685 5.0318 -7.3893 -8.3337 -274.3638 -253.6271 -80.5455 5.2240 -5.7624 3.7243 0 -472.3257127 4.022E-9 2.522E-6 0.1328906 0.1418501 -3.779334,4.1297961,-0.3504621,12.4064861,-4.7032358,1.5450665 C01 [X(C6H7N3O1)] 0.8076113 2.2086597 -0.8950361 -1.0012731 0.3488945 -0.0910273 0.0519714 -1.3790898 0.2935923 0.0220961 0.2840355 -0.5592952 -0.4743048 -0.4719585 0.2048424 -0.2546558 -0.8507271 0.0437553 0.0442383 -0.0501398 -0.4758202 -0.7027488 0.0152783 -0.0150201 0.0493451 -0.4444946 -0.0133406 -0.0114448 -0.01429 -0.3518999 -0.2199998 0.0930109 -0.0699969 -0.0041727 -0.390053 0.1497996 -0.009415 0.1684078 -0.1312408 -0.1735509 0.0497486 -0.0129877 0.0412806 0.1902442 0.0675697 -0.0483008 0.0590861 0.0177602 -0.3269135 -0.3369344 -0.0735088 -0.017474 -0.0410197 -0.0011601 -0.0382914 -0.0326418 -0.0773632 -0.2403418 0.3390345 0.0802664 0.0490066 -0.1655252 0.0031333 0.0869298 0.0185029 -0.0818259 1.8417361 0.1081717 -0.0676434 0.3534577 1.9174489 -0.5047699 -0.1581432 -0.4610606 0.5056307 0.5003368 0.3557691 0.1054856 0.0568872 0.2741193 0.054951 0.0479491 0.0767908 0.0388134 0.3713213 -0.3498641 -0.0606015 -0.1123489 0.3730231 0.0679515 0.0029003 0.0481195 0.0378292 0.1290363 0.0646702 0.0151492 0.03466 -0.0142989 -0.030707 0.0304359 -0.0171797 0.1227721 0.0491125 -0.1091586 -0.0277019 -0.0863633 -0.000763 -0.0305788 -0.0399191 -0.0290059 0.1206883 -0.0185773 -0.1145343 -0.0295594 -0.1036072 -0.063037 -0.0410703 -0.0304111 -0.0433197 0.0932143 0.0267693 0.0903325 0.0136952 0.0854599 -0.1072012 -0.0405515 0.0091786 -0.0438646 0.0947484 0.0454658 0.036155 -0.0242392 0.0847223 0.255464 0.0495498 -0.033188 0.1043083 0.3301743 0.089588 -0.0757031 0.0001538 -0.1231335 0.2964702 0.0680221 0.0431032 -0.0094641 0.0744007 0.1043438 -0.0429124 0.0526937 -0.1050354 0.1494397 -0.1361465 0.0822821 -0.0582847 0.2414136 139.6428984|4.5090388|121.3043201|2.0296008|7.5305105|47.7151977 0.000002846 0.000002701 -0.000000694 -0.000000829 0.000002894 -0.000001962 -0.000000160 -0.000004321 0.000002669 -0.000000646 0.000004751 -0.000003007 0.000000645 -0.000000348 0.000000387 0.000001847 -0.000001617 0.000001608 -0.000001021 -0.000001155 0.000000345 0.000000969 0.000001622 -0.000000673 0.000001707 -0.000004022 0.000002675 -0.000001158 -0.000003052 0.000001460 0.000003216 -0.000001188 0.000001715 -0.000002111 -0.000000164 -0.000000586 0.000002505 -0.000004784 0.000003635 -0.000002528 -0.000003774 0.000001452 -0.000002380 0.000001956 -0.000001878 -0.000001578 0.000004897 -0.000003416 -0.000001323 0.000005605 -0.000003730 130.08370000000002 AuxInfo=1/0/N:5;6;7;8;9;10;2;3;4;1;11;12;13;14;15;16;17/rA:17nO0N0N0N0C0C0C0C0C0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;/rC:1.8244,-1.4448,.4526;2.1712,.7232,-.2179;-2.8842,.2617,-.0686;3.5731,.6242,-.2046;-.0915,-.0794,.0468;-.9404,-1.1584,-.2173;-.6748,1.1727,.27;1.3941,-.3439,.1182;-2.3142,-.9366,-.2721;-2.0642,1.2862,.2028;-.5266,-2.1475,-.3762;-.0796,2.0443,.5205;-2.9903,-1.7611,-.488;-2.5369,2.2497,.3807;1.7384,1.5385,-.6345;3.917,.7111,-1.1592;3.9411,1.4124,.3234;