Delete Example_data_for_Web_service/4-Bromo-3-methylphenyl isothiocyanate.jdx
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Example_data_for_Web_service/4-Bromo-3-methylphenyl isothiocyanate.jdx
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##TITLE=4-Bromo-3-methylphenyl isothiocyanate
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##JCAMP-DX=4.24
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##DATA TYPE=INFRARED SPECTRUM
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##ORIGIN=EPA-IR VAPOR PHASE LIBRARY
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##OWNER=SRD/NIST
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Collection (C) 2018 copyright by the U.S. Secretary of Commerce
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on behalf of the United States of America. All rights reserved.
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##CAS REGISTRY NO=71672-88-3
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##MOLFORM=C 8 H 6 Br N S
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##$NIST SOURCE=MSDC-IR
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##STATE=gas
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##XUNITS=1/CM
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##YUNITS=ABSORBANCE
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##XFACTOR=1.
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##YFACTOR=0.001
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##DELTAX=1.92898
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##FIRSTX=549.8
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##LASTX=4000.7
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##FIRSTY=11.645
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##MAXX=4000.7
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##MINX=549.759
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##MAXY=0.597065
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##MINY=0
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##NPOINTS=1790
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##XYDATA=(X++(Y..Y))
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549.759 11.645 11.415 10.855 10.505 10.335 10.035 9.505 9.525 9.925 10.225
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569.049 10.265 10.575 11.265 11.515 11.255 11.125 11.465 11.625 11.435 11.335
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588.339 11.245 11.045 10.555 10.055 9.435 8.465 7.915 7.505 6.865 6.165
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607.628 5.495 5.105 4.515 4.045 3.945 3.745 3.485 3.455 3.465 3.505
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626.918 3.385 3.015 3.005 2.775 2.515 2.495 2.195 1.975 2.095 2.355
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646.208 2.295 2.225 2.585 2.865 3.175 3.485 3.665 3.785 3.655 3.455
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| 32 |
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665.498 3.335 3.205 2.735 2.155 1.775 1.501 1.3659 1.3376 1.1173 1.0993
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684.787 1.2399 1.3058 1.3074 1.3807 1.603 1.4689 1.2745 1.114 1.1285 1.2658
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704.077 1.0997 0.8734 0.8987 0.9652 0.9961 0.9933 1.0899 1.278 1.241 1.4314
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742.657 1.675 1.5571 1.5471 1.915 1.875 1.675 1.775 1.945 2.045 2.175
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761.947 2.525 2.585 2.845 3.335 3.505 3.575 3.575 3.775 3.925 4.055
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| 38 |
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781.236 4.235 4.425 4.845 5.525 6.725 8.315 10.285 12.985 16.165 19.855
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| 39 |
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800.526 23.755 27.715 31.815 35.985 40.895 46.405 49.615 49.725 49.775 50.605
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819.816 50.895 50.265 48.535 45.575 41.995 37.985 33.675 28.985 24.205 20.175
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| 41 |
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839.106 16.585 13.705 11.655 10.025 9.095 8.785 9.015 9.655 10.905 12.645
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858.395 14.605 16.905 19.145 21.225 23.255 25.755 27.845 27.395 24.865 22.225
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877.685 19.535 16.925 14.515 11.975 9.585 7.595 6.265 5.295 4.595 4.145
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896.975 3.865 3.615 3.555 3.595 3.565 3.575 3.635 3.605 3.465 3.395
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954.844 5.445 6.065 7.045 8.275 9.815 11.865 14.505 17.665 21.185 24.995
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974.134 28.425 30.615 30.995 29.915 27.305 23.605 19.685 16.155 13.715 12.285
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993.424 11.695 11.535 11.815 12.515 13.425 14.915 16.325 17.645 19.215 20.695
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1012.714 22.635 25.415 29.215 34.945 43.955 57.235 75.255 96.605 117.305 131.545
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1032.003 136.255 130.855 115.265 91.475 65.545 44.815 31.545 23.395 17.735 13.885
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1051.293 11.075 9.085 7.705 6.435 5.645 5.025 4.445 4.135 3.825 3.535
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1128.452 6.425 6.125 5.805 5.625 5.925 6.055 5.595 4.885 4.165 3.695
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1147.742 3.065 2.825 2.575 2.275 2.275 2.285 2.525 2.695 2.895 3.165
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1186.322 2.975 2.835 2.605 2.175 1.855 1.775 1.745 1.705 1.895 1.735
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1205.611 1.6572 2.095 2.045 2.195 2.535 2.435 2.465 2.625 2.975 3.235
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1263.481 6.515 6.515 6.645 6.805 7.035 7.435 8.235 9.565 11.485 13.955
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1282.771 16.365 18.255 19.155 18.745 17.195 14.575 11.395 8.425 6.015 4.405
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1302.060 3.455 2.865 2.555 2.315 2.095 1.965 1.805 1.705 1.6016 1.517
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1321.350 1.5408 1.521 1.4842 1.4602 1.4643 1.4928 1.4989 1.5304 1.6315 1.6358
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1340.640 1.6405 1.6604 1.695 1.865 1.955 1.975 2.105 2.295 2.515 2.695
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1359.930 2.895 3.265 3.685 4.145 4.705 5.315 5.875 6.315 6.585 6.855
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1398.509 15.885 16.385 16.245 15.555 14.255 12.745 11.565 10.945 10.935 11.405
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1417.799 12.395 13.845 15.485 16.965 17.945 18.315 18.055 17.285 16.245 15.215
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1437.089 14.515 14.315 14.535 14.985 15.515 16.235 17.395 19.035 21.385 24.625
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1456.378 29.165 35.515 43.865 54.425 67.005 80.455 93.195 103.015 107.815 106.495
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1475.668 99.045 86.805 72.105 57.315 44.585 35.075 28.735 24.895 22.715 21.695
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1494.958 21.255 20.725 19.845 18.665 17.155 15.315 13.405 11.825 10.675 9.855
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1765.015 3.015 3.025 3.025 3.075 3.125 3.165 3.185 3.205 3.275 3.445
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1784.305 3.565 3.605 3.645 3.835 4.055 4.125 4.235 4.365 4.535 4.695
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1842.174 6.585 6.625 6.605 6.595 6.625 6.695 6.765 6.775 6.865 7.095
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| 94 |
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1880.754 10.065 10.145 10.275 10.385 10.425 10.565 10.735 10.925 11.195 11.535
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| 96 |
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1900.043 12.035 12.585 13.255 13.995 14.695 15.575 16.585 17.655 18.885 20.255
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1919.333 21.735 23.395 25.285 27.315 29.485 31.825 34.415 37.205 40.115 43.265
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| 98 |
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1938.623 46.685 50.315 54.185 58.375 62.875 67.685 72.685 77.765 83.005 88.445
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1957.913 94.095 99.995 106.235 113.085 120.395 128.145 136.395 144.925 153.695 162.585
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1977.202 171.535 180.685 189.815 198.875 208.005 217.135 226.145 235.115 244.065 253.235
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1996.492 262.825 273.105 284.455 296.665 309.715 323.585 337.805 352.015 365.625 378.385
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2015.782 390.025 400.365 409.845 418.875 427.855 437.335 447.605 459.675 474.445 492.325
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2035.072 513.835 538.525 564.365 586.495 597.065 591.645 572.375 542.395 505.005 464.185
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2054.362 423.715 386.365 353.665 326.585 305.505 290.195 280.165 274.975 274.055 276.795
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2073.651 282.485 290.595 300.955 313.565 328.425 345.235 363.155 380.755 396.035 406.735
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2092.941 411.125 408.215 397.715 380.355 357.705 331.485 303.785 276.535 250.935 227.795
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2112.231 207.575 190.405 176.215 164.505 154.845 146.835 140.015 134.325 129.795 126.435
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2131.521 124.345 123.445 123.375 123.625 123.715 123.345 122.325 120.235 116.835 112.295
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2150.810 106.565 99.785 92.245 84.225 76.275 68.745 61.815 55.775 50.655 46.335
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2170.100 42.665 39.555 37.045 34.975 33.155 31.635 30.315 29.055 27.915 26.755
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2189.390 25.615 24.415 23.225 22.125 21.085 20.245 19.565 18.935 18.445 18.065
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2208.680 17.795 17.615 17.295 16.865 16.535 16.115 15.575 14.985 14.265 13.525
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2227.970 12.795 12.115 11.465 11.015 10.745 10.545 10.365 10.245 10.215 10.245
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2247.259 10.315 10.415 10.575 10.755 10.895 10.945 10.925 10.885 10.765 10.515
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2266.549 10.195 9.785 9.355 8.885 8.425 8.035 7.685 7.495 7.445 7.395
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| 116 |
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2285.839 7.355 7.325 7.285 7.315 7.325 7.275 7.275 7.145 6.905 6.735
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2343.708 4.955 4.855 4.745 4.575 4.345 4.185 3.935 3.785 3.685 3.575
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2382.288 3.015 2.975 2.935 2.935 3.025 3.115 3.215 3.305 3.365 3.455
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2401.578 3.555 3.705 3.835 3.875 3.915 3.915 3.855 3.705 3.585 3.485
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2440.157 3.125 3.295 3.425 3.625 3.925 4.195 4.435 4.745 4.935 4.995
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| 125 |
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2498.026 3.035 3.085 3.155 3.215 3.335 3.455 3.555 3.695 3.835 3.975
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| 128 |
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2517.316 4.075 4.205 4.365 4.475 4.575 4.595 4.595 4.575 4.595 4.625
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2536.606 4.515 4.445 4.495 4.555 4.495 4.495 4.565 4.665 4.875 5.145
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2555.896 5.415 5.635 5.835 6.035 6.325 6.655 6.985 7.335 7.775 8.095
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2575.186 8.325 8.615 8.885 9.185 9.505 9.715 9.835 10.035 10.305 10.455
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2594.475 10.595 10.825 10.985 11.015 10.955 10.925 10.935 10.915 10.795 10.415
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2613.765 9.895 9.375 8.665 7.915 7.255 6.595 6.035 5.465 4.995 4.595
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2633.055 4.215 3.915 3.605 3.405 3.325 3.285 3.195 3.045 2.965 2.935
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2690.924 2.205 2.175 2.165 2.165 2.145 2.145 2.155 2.245 2.275 2.245
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2710.214 2.265 2.295 2.365 2.465 2.535 2.635 2.635 2.615 2.665 2.735
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2729.504 2.805 2.975 3.135 3.105 3.045 2.995 2.985 3.075 3.045 2.905
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2748.794 2.875 2.835 2.795 2.755 2.605 2.465 2.425 2.415 2.365 2.185
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| 141 |
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2768.083 2.135 2.175 2.185 2.255 2.395 2.395 2.295 2.345 2.475 2.575
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2787.373 2.675 2.675 2.625 2.675 2.695 2.775 2.805 2.755 2.845 2.905
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2806.663 2.905 2.905 2.895 2.895 2.985 3.115 3.145 3.135 3.175 3.275
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2825.953 3.365 3.435 3.465 3.515 3.505 3.555 3.725 3.825 3.965 4.155
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2845.242 4.265 4.405 4.585 4.725 4.885 5.095 5.325 5.525 5.715 5.985
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2864.532 6.215 6.385 6.455 6.485 6.585 6.585 6.515 6.355 6.125 6.025
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2883.822 5.955 5.715 5.475 5.385 5.325 5.165 5.075 5.105 5.095 5.135
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2903.112 5.125 5.185 5.405 5.715 6.025 6.245 6.585 7.035 7.595 8.235
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| 149 |
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2922.401 8.865 9.485 10.285 11.135 11.885 12.625 13.265 13.685 13.785 13.635
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| 150 |
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2941.691 13.215 12.625 11.925 11.145 10.405 9.735 9.235 9.005 8.765 8.545
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| 152 |
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2980.271 8.935 9.095 9.325 9.635 9.845 9.855 9.665 9.375 9.115 8.595
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| 153 |
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2999.561 7.945 7.295 6.775 6.505 6.115 5.665 5.545 5.505 5.305 5.205
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| 154 |
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3018.850 5.225 5.115 5.035 5.055 5.035 5.105 5.095 5.065 5.045 4.945
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| 155 |
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3038.140 4.815 4.705 4.635 4.555 4.375 4.185 4.255 4.295 4.325 4.465
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| 156 |
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3057.430 4.485 4.425 4.525 4.645 4.585 4.645 4.825 4.855 4.745 4.665
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| 157 |
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3076.720 4.615 4.555 4.415 4.165 4.125 4.125 4.045 4.065 3.985 3.905
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| 158 |
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3096.009 3.775 3.575 3.285 2.935 2.645 2.335 2.205 2.175 1.895 1.5968
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| 159 |
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3115.299 1.5897 1.5137 1.2995 1.1764 1.2 1.2028 1.2058 1.2479 1.1523 1.0778
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3134.589 0.9886 0.9372 0.9059 0.74832 0.7076 0.8023 0.75388 0.71774 0.73617 0.558
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| 161 |
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3153.879 0.539 0.66281 0.5812 0.525 0.531 0.469 0.446 0.57 0.5808 0.5752
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| 162 |
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3173.169 0.525 0.392 0.38 0.415 0.42 0.303 0.207 0.304 0.497 0.441
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| 163 |
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3192.458 0.177 0.149 0.219 0.129 0.052 0.189 0.272 0.195 0.156 0.114
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| 164 |
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3211.748 0.163 0.215 0.214 0.268 0.217 0.198 0.213 0.228 0.28 0.238
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| 165 |
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3231.038 0.224 0.16 0.122 0.092 0 0.077 0.121 0.093 0.105 0.137
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| 166 |
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3250.328 0.169 0.179 0.129 0.187 0.412 0.366 0.203 0.176 0.237 0.324
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| 167 |
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3269.617 0.297 0.109 0.047 0.157 0.284 0.319 0.218 0.268 0.345 0.238
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| 168 |
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3288.907 0.176 0.261 0.324 0.306 0.271 0.274 0.274 0.357 0.374 0.307
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| 169 |
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3308.197 0.4 0.376 0.309 0.322 0.346 0.41 0.454 0.309 0.138 0.177
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| 170 |
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3327.487 0.262 0.271 0.308 0.371 0.293 0.183 0.251 0.311 0.247 0.339
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| 171 |
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3346.777 0.304 0.16 0.252 0.323 0.186 0.249 0.415 0.38 0.328 0.278
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| 172 |
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3366.066 0.335 0.455 0.392 0.357 0.482 0.48 0.411 0.313 0.216 0.205
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| 173 |
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3385.356 0.249 0.244 0.269 0.351 0.447 0.399 0.267 0.207 0.29 0.367
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| 174 |
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3404.646 0.338 0.3 0.228 0.34 0.349 0.261 0.212 0.338 0.418 0.354
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| 175 |
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3423.936 0.448 0.499 0.475 0.442 0.426 0.429 0.522 0.493 0.357 0.458
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| 176 |
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3443.225 0.529 0.307 0.313 0.485 0.485 0.446 0.451 0.521 0.5875 0.594
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| 177 |
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3462.515 0.448 0.363 0.401 0.464 0.494 0.425 0.368 0.471 0.553 0.509
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| 178 |
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3481.805 0.445 0.416 0.52 0.535 0.528 0.504 0.338 0.278 0.39 0.5764
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3501.095 0.6448 0.519 0.352 0.383 0.467 0.429 0.373 0.417 0.349 0.186
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| 180 |
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3520.385 0.256 0.374 0.38 0.466 0.493 0.459 0.542 0.6108 0.528 0.439
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| 181 |
-
3539.674 0.474 0.499 0.427 0.385 0.375 0.412 0.433 0.324 0.292 0.308
|
| 182 |
-
3558.964 0.423 0.5835 0.5955 0.5726 0.562 0.465 0.382 0.411 0.492 0.542
|
| 183 |
-
3578.254 0.502 0.46 0.36 0.376 0.503 0.453 0.331 0.389 0.505 0.436
|
| 184 |
-
3597.544 0.347 0.412 0.433 0.428 0.456 0.521 0.476 0.393 0.403 0.254
|
| 185 |
-
3616.833 0.131 0.382 0.564 0.43 0.398 0.43 0.556 0.5817 0.416 0.244
|
| 186 |
-
3636.123 0.239 0.353 0.387 0.502 0.625 0.539 0.395 0.381 0.331 0.275
|
| 187 |
-
3655.413 0.391 0.429 0.353 0.419 0.408 0.327 0.383 0.45 0.524 0.6185
|
| 188 |
-
3674.703 0.6404 0.6058 0.468 0.337 0.356 0.323 0.32 0.493 0.5803 0.547
|
| 189 |
-
3693.993 0.342 0.264 0.458 0.542 0.449 0.5867 0.74758 0.6052 0.67402 0.624
|
| 190 |
-
3713.282 0.501 0.6491 0.68665 0.7673 0.7714 0.7425 0.8334 0.65746 0.462 0.511
|
| 191 |
-
3732.572 0.536 0.464 0.464 0.5655 0.5907 0.462 0.472 0.6251 0.75882 0.73279
|
| 192 |
-
3751.862 0.72306 0.792 0.69692 0.5874 0.519 0.558 0.6329 0.70208 0.68154 0.68176
|
| 193 |
-
3771.152 0.8431 0.8565 0.73539 0.7265 0.8437 0.8807 0.7734 0.69741 0.72916 0.7796
|
| 194 |
-
3790.441 0.7441 0.6807 0.669555 0.6498 0.65606 0.637 0.71265 0.7967 0.68683 0.463
|
| 195 |
-
3809.731 0.365 0.5775 0.807 0.7437 0.67942 0.71533 0.7938 0.8778 0.8594 0.68808
|
| 196 |
-
3829.021 0.547 0.71889 0.8633 0.8151 0.71894 0.68569 0.73765 0.7763 0.8982 0.9459
|
| 197 |
-
3848.311 0.7827 0.8554 1.0529 1.1149 1.0801 0.9727 0.8304 0.8377 1.0325 1.0365
|
| 198 |
-
3867.601 0.979 1.1335 1.1585 1.1534 1.1452 1.0453 1.1411 1.1975 1.128 1.1165
|
| 199 |
-
3886.890 1.1317 1.2703 1.4051 1.4047 1.4352 1.3444 1.2703 1.2526 1.2618 1.4204
|
| 200 |
-
3906.180 1.3595 1.3329 1.4789 1.4391 1.3348 1.3855 1.4031 1.5158 1.5721 1.66
|
| 201 |
-
3925.470 1.795 1.765 1.835 1.835 1.735 1.785 1.785 1.805 1.985 1.885
|
| 202 |
-
3944.760 1.835 1.915 1.975 2.005 1.985 2.025 2.035 1.995 1.985 1.975
|
| 203 |
-
3964.049 2.045 2.145 2.245 2.335 2.335 2.345 2.425 2.425 2.485 2.545
|
| 204 |
-
3983.339 2.425 2.205 2.135 2.325 2.345 2.285 2.175 2.195 2.355 2.375
|
| 205 |
-
##END=
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