##TITLE=1000092
##JCAMP-DX=4.24
##DATA TYPE=RAMAN SPECTRUM
##SOURCE REFERENCE=http://solsa.crystallography.net/rod/1000092.rod
##OWNER=PUBLIC DOMAIN
##XUNITS=1/CM
##YUNITS=ARBITRARY UNITS
##FIRSTX=158.0915
##LASTX=1287.690
##XFACTOR=1
##YFACTOR=1
##NPOINTS=2344
##FIRSTY=0.0000000E+00
##LASTY=0.0000000E+00
##XYPOINTS=(XY..XY)
158.0915,0.0000000E+00 158.5736,0.2016070 159.0558,1.0876000E-02 
159.5379,0.3062400 160.0200,1.245953 160.5021,2.352261 160.9842,2.758316 
161.4663,2.306923 161.9485,1.840084 162.4306,1.501484 162.9127,1.269295 
163.3948,1.109165 163.8769,1.028442 164.3590,0.9843370 164.8412,0.9062730 
165.3233,0.7955630 165.8054,0.6946980 166.2875,0.6534880 166.7696,0.6659360 
167.2517,0.6539000 167.7339,0.5032040 168.2160,0.4092560 168.6981,0.5745470 
169.1802,1.043148 169.6623,1.611271 170.1444,2.179611 170.6266,2.809483 
171.1087,3.063274 171.5908,2.418766 172.0729,1.711948 172.5550,1.183876 
173.0371,1.191174 173.5193,1.456741 174.0014,1.507996 174.4835,1.363029 
174.9656,1.164684 175.4477,0.9976650 175.9298,0.8968810 176.4120,0.8572500 
176.8941,0.8768770 177.3762,0.9528430 177.8583,1.073467 178.3404,1.016068 
178.8225,1.018047 179.3047,1.174488 179.7868,1.366497 180.2689,1.432663 
180.7510,1.282288 181.2331,0.9943200 181.7152,0.9349980 182.1974,1.440014 
182.6795,1.813450 183.1616,1.968010 183.6437,1.873478 184.1258,1.509933 
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187.9827,0.9395370 188.4649,1.256207 188.9470,1.696224 189.4291,1.690041 
189.9112,0.8930360 190.3933,9.9639997E-02 190.8754,0.1582410 
191.3576,8.9050002E-02 191.8397,0.4632530 192.3218,0.8472670 192.8039,1.168098 
193.2860,1.289974 193.7681,1.004871 194.2503,0.6446230 194.7324,0.6152040 
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206.7853,0.4042360 207.2674,0.4014090 207.7495,0.2971800 208.2316,0.1845470 
208.7138,0.2373200 209.1959,0.5852390 209.6780,1.174957 210.1601,1.418282 
210.6422,0.6705590 211.1243,0.1661190 211.6065,0.2848590 212.0886,0.7832680 
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219.8024,0.1549950 220.2845,5.8292001E-02 220.7667,0.4556580 
221.2488,0.9727520 221.7309,1.264038 222.2130,1.180531 222.6951,1.045620 
223.1772,1.008926 223.6594,1.056473 224.1415,1.120838 224.6236,1.180927 
225.1057,1.220234 225.5878,1.205242 226.0699,1.145489 226.5521,1.023659 
227.0342,0.7592810 227.5163,0.3736150 227.9984,9.9009998E-02 
228.4805,8.9282997E-02 228.9626,0.2590480 229.4448,0.4298740 
229.9269,0.6337970 230.4090,0.7714310 230.8911,0.6793670 231.3732,0.3557010 
231.8553,0.1657030 232.3375,0.3805620 232.8196,0.7657780 233.3017,1.059605 
233.7838,1.248604 234.2659,1.286411 234.7480,1.034386 235.2302,0.4496500 
235.7123,6.6220001E-03 236.1944,1.3416000E-02 236.6765,0.1431430 
237.1586,1.7757000E-02 237.6407,0.4796980 238.1229,0.9746970 
238.6050,0.9201390 239.0871,0.1750870 239.5692,0.3621180 240.0513,0.1800310 
240.5334,0.1438030 241.0156,0.1970180 241.4977,0.1153910 241.9798,0.5236550 
242.4619,0.6602780 242.9440,0.4333310 243.4261,0.2057110 
243.9083,9.0750000E-03 244.3904,8.5587002E-02 244.8725,2.1571999E-02 
245.3546,0.3383180 245.8367,0.7235720 246.3188,1.022533 246.8010,1.281483 
247.2831,1.293289 247.7652,0.7528270 248.2473,0.1750870 248.7294,5.8258001E-02 
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254.9969,0.5767330 255.4790,0.3320200 255.9612,0.1614230 256.4433,0.1189270 
256.9254,0.1947480 257.4075,0.3258060 257.8896,0.4536930 258.3718,0.5938340 
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279.5849,4.890759 280.0670,5.362862 280.5491,5.576752 281.0312,5.435909 
281.5133,5.101765 281.9955,4.808117 282.4776,4.415825 282.9597,4.448299 
283.4418,5.389862 283.9239,6.747581 284.4060,7.740982 284.8882,8.152382 
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289.2272,9.527794 289.7093,10.02988 290.1914,10.95307 290.6736,11.81335 
291.1557,12.49363 291.6378,13.10477 292.1199,13.76164 292.6020,14.47461 
293.0841,15.21142 293.5663,15.96116 294.0484,16.71883 294.5305,17.42294 
295.0126,18.05339 295.4947,18.59838 295.9768,18.96414 296.4590,19.19481 
296.9411,19.67238 297.4232,20.61464 297.9053,21.93743 298.3874,23.32713 
298.8695,24.92676 299.3517,26.45406 299.8338,27.59203 300.3159,28.39787 
300.7980,29.25264 301.2801,30.34317 301.7622,31.57259 302.2444,32.78952 
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304.6549,34.51007 305.1371,34.73021 305.6192,35.28846 306.1013,35.95052 
306.5834,36.71839 307.0655,37.51328 307.5476,38.40852 308.0298,39.29885 
308.5119,39.90593 308.9940,40.13126 309.4761,40.15608 309.9582,40.07767 
310.4403,39.94776 310.9225,40.08289 311.4046,40.62401 311.8867,41.41851 
312.3688,42.30711 312.8509,43.31408 313.3330,44.20807 313.8152,44.82957 
314.2973,45.17804 314.7794,45.16904 315.2615,44.45817 315.7436,43.57244 
316.2257,43.18832 316.7079,43.33838 317.1900,43.35371 317.6721,42.85609 
318.1542,41.89778 318.6363,40.67036 319.1184,39.09015 319.6006,37.34995 
320.0827,35.52961 320.5648,33.64696 321.0469,31.87519 321.5290,30.36648 
322.0111,28.93006 322.4933,27.16502 322.9754,24.91405 323.4575,22.81639 
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331.6535,15.59288 332.1356,15.94904 332.6177,16.36360 333.0998,16.82683 
333.5819,17.24176 334.0641,17.55075 334.5462,17.74818 335.0283,17.86786 
335.5104,17.82803 335.9925,17.79052 336.4746,17.93477 336.9568,18.20170 
337.4389,18.33184 337.9210,18.23622 338.4031,17.89053 338.8852,17.25238 
339.3673,16.26255 339.8495,15.18590 340.3316,14.07941 340.8137,12.97205 
341.2958,11.90720 341.7779,10.90578 342.2600,9.994942 342.7421,9.139511 
343.2242,8.274925 343.7064,7.603062 344.1885,7.339531 344.6706,7.198013 
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389.5074,2.464741 389.9896,2.016678 390.4717,2.446842 390.9538,2.983948 
391.4359,2.892281 391.9180,2.047497 392.4001,1.167721 392.8823,0.8670230 
393.3644,1.063061 393.8465,1.259926 394.3286,1.435162 394.8107,1.521526 
395.2928,1.451130 395.7750,1.252831 396.2571,1.001728 396.7392,0.6522500 
397.2213,0.2908590 397.7034,0.1048360 398.1855,0.1352770 
398.6677,8.4523998E-02 399.1498,0.3886470 399.6319,0.9926740 400.1140,1.046690 
400.5961,0.1965450 401.0782,0.6430190 401.5604,0.9061470 402.0425,0.7360440 
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466.6461,2.171850 467.1282,2.008804 467.6103,1.745747 468.0924,1.694189 
468.5746,1.830048 469.0567,1.919483 469.5388,1.779093 470.0209,1.456913 
470.5030,1.272484 470.9851,1.249817 471.4673,1.340483 471.9494,1.648994 
472.4315,2.010399 472.9136,2.260269 473.3957,2.367121 473.8778,2.393232 
474.3600,2.398472 474.8421,2.375595 475.3242,2.365358 475.8063,2.457006 
476.2884,2.442888 476.7705,2.259573 477.2527,1.946613 477.7348,1.512959 
478.2169,0.9180260 478.6990,0.3711890 479.1811,0.2931580 479.6632,0.7486650 
480.1454,1.106514 480.6275,1.064054 481.1096,1.037502 481.5917,1.484177 
482.0738,2.339115 482.5559,2.989218 483.0380,2.988638 483.5201,2.655561 
484.0023,2.566790 484.4844,2.781088 484.9665,2.887226 485.4486,2.607840 
485.9307,2.070261 486.4128,1.709238 486.8950,1.620949 487.3771,1.587368 
487.8592,1.557346 488.3413,1.488493 488.8234,1.287125 489.3055,0.9562700 
489.7877,0.7169270 490.2698,0.8081360 490.7519,1.253761 491.2340,1.572802 
491.7161,1.790871 492.1982,1.881153 492.6804,1.750414 493.1625,1.513681 
493.6446,1.319849 494.1267,1.224386 494.6088,1.192503 495.0909,1.180536 
495.5731,1.189507 496.0552,1.208256 496.5373,1.341955 497.0194,1.453823 
497.5015,1.405403 497.9836,1.254999 498.4658,1.109173 498.9479,1.050980 
499.4300,1.129522 499.9121,1.433657 500.3942,2.016376 500.8763,2.331274 
501.3585,1.967846 501.8406,1.517120 502.3227,1.626434 502.8048,2.278923 
503.2869,2.710941 503.7690,2.385284 504.2512,1.723406 504.7333,1.297264 
505.2154,1.134962 505.6975,1.062983 506.1796,0.9914360 506.6617,0.9341470 
507.1439,0.9370000 507.6260,1.056858 508.1081,1.121412 508.5902,1.127266 
509.0723,1.028215 509.5544,0.6342260 510.0366,1.1608000E-02 510.5187,0.4780160 
511.0008,0.3452000 511.4829,0.3749180 511.9650,0.9147910 512.4471,1.258661 
512.9293,1.518473 513.4114,1.626856 513.8935,1.658484 514.3756,1.711271 
514.8577,1.808331 515.3398,1.866352 515.8220,1.738779 516.3041,1.399147 
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520.6431,2.261017 521.1252,2.009411 521.6074,1.631191 522.0895,1.149187 
522.5716,0.6811520 523.0537,0.3425660 523.5358,0.1245460 
524.0179,3.0111000E-02 524.5001,9.8949000E-02 524.9822,0.2542740 
525.4643,0.5371780 525.9464,0.8693580 526.4285,0.9901330 526.9106,0.7653580 
527.3928,0.4177570 527.8749,0.3722800 528.3570,0.8294960 528.8391,1.125914 
529.3212,1.214708 529.8033,1.202005 530.2855,1.123236 530.7676,0.9915160 
531.2497,0.7912790 531.7318,0.4958040 532.2139,0.2012410 532.6960,0.1981530 
533.1782,0.6216220 533.6603,0.9381240 534.1424,0.9231590 534.6245,0.8908980 
535.1066,1.088863 535.5887,1.460754 536.0709,1.707047 536.5530,1.595522 
537.0351,1.275990 537.5172,0.9714370 537.9993,0.6709290 538.4814,0.5185930 
538.9636,0.5987240 539.4457,0.8443640 539.9278,1.166563 540.4099,1.585955 
540.8920,1.938908 541.3741,2.308891 541.8563,2.508503 542.3384,2.137041 
542.8205,1.321495 543.3026,0.8457070 543.7847,1.271667 544.2668,2.275957 
544.7490,2.671612 545.2311,1.769039 545.7132,1.189507 546.1953,1.189850 
546.6774,1.346453 547.1595,1.383156 547.6417,1.272829 548.1238,1.091232 
548.6059,0.8488860 549.0880,0.6172200 549.5701,0.6772420 550.0522,1.196791 
550.5344,1.571817 551.0165,1.459095 551.4986,1.229544 551.9807,1.177549 
552.4628,1.320789 552.9449,1.447365 553.4271,1.470610 553.9092,1.384396 
554.3913,1.087662 554.8734,0.5671560 555.3555,0.2439420 555.8376,0.4217850 
556.3198,0.8837780 556.8019,1.060919 557.2840,0.8618640 557.7661,0.6650470 
558.2482,0.4158760 558.7303,0.2875350 559.2125,0.6025260 559.6946,1.247297 
560.1767,1.642059 560.6588,1.332857 561.1409,0.5449280 561.6230,0.2685030 
562.1052,0.9767780 562.5873,1.389212 563.0694,1.222763 563.5515,0.8810460 
564.0336,0.5581670 564.5157,0.3159140 564.9979,0.2375700 565.4800,0.4542470 
565.9621,0.8344080 566.4442,1.008171 566.9263,0.9329800 567.4084,0.9581530 
567.8906,1.399664 568.3727,1.802809 568.8548,1.536964 569.3369,0.5667440 
569.8190,0.1523150 570.3011,0.2008760 570.7833,9.2189997E-02 
571.2654,0.5600620 571.7475,1.122770 572.2296,1.415373 572.7117,1.192484 
573.1938,0.6886600 573.6760,0.4893910 574.1581,0.8975810 574.6402,1.083136 
575.1223,0.7927650 575.6044,0.4992470 576.0865,0.5199240 576.5687,0.7829210 
577.0508,1.023876 577.5329,1.093023 578.0150,1.050571 578.4971,1.021463 
578.9792,1.007467 579.4614,0.9956840 579.9435,0.9545170 580.4256,0.9473440 
580.9077,1.081642 581.3898,1.300087 581.8719,1.383944 582.3541,1.164612 
582.8362,0.8667340 583.3183,0.7038650 583.8004,0.6464540 584.2825,0.5708480 
584.7646,0.4217210 585.2468,0.3150710 585.7289,0.4306850 586.2110,0.8361170 
586.6931,1.080551 587.1752,1.079599 587.6573,1.018055 588.1394,0.9817810 
588.6215,0.9303050 589.1036,0.7498490 589.5858,0.4129090 
590.0679,8.9934997E-02 590.5500,3.8050000E-02 591.0321,0.2876850 
591.5142,0.5277080 591.9963,0.7761500 592.4785,0.9816150 592.9606,1.123484 
593.4427,1.215330 593.9248,1.295462 594.4069,1.394173 594.8890,1.378096 
595.3712,0.9401190 595.8533,0.3455280 596.3354,0.3288590 596.8175,1.012772 
597.2996,1.671381 597.7817,1.767939 598.2639,1.402281 598.7460,1.106588 
599.2281,0.8663600 599.7102,0.7029250 600.1923,0.5925060 600.6744,0.5803050 
601.1566,0.8137260 601.6387,1.221315 602.1208,1.493227 602.6029,1.378817 
603.0850,0.9661920 603.5671,0.5782050 604.0493,0.1744370 
604.5314,9.7833999E-02 605.0135,0.2450850 605.4956,0.2110580 
605.9777,0.2071360 606.4598,0.9140210 606.9420,1.382931 607.4241,1.132412 
607.9062,0.6731110 608.3883,0.6728730 608.8704,1.047239 609.3525,1.326832 
609.8347,1.366941 610.3168,1.219376 610.7989,0.9055730 611.2810,0.3410380 
611.7631,6.3395999E-02 612.2452,0.2417490 612.7274,0.5086210 
613.2095,0.8477480 613.6916,1.130831 614.1737,1.127554 614.6558,0.7761500 
615.1379,0.3275680 615.6201,8.9211002E-02 616.1022,6.5250002E-02 
616.5843,0.1278250 617.0664,0.3609830 617.5485,0.5352540 618.0306,0.3958210 
618.5128,0.1985210 618.9949,0.3444330 619.4770,0.9633770 619.9591,1.494637 
620.4412,1.600550 620.9233,1.425201 621.4055,1.093801 621.8876,0.6473410 
622.3697,0.3266300 622.8518,0.2884460 623.3339,0.4633270 623.8160,0.6441140 
624.2982,0.8683850 624.7803,1.030258 625.2624,1.097162 625.7445,1.133522 
626.2266,1.225849 626.7087,1.317783 627.1909,1.259285 627.6730,0.9489840 
628.1551,0.5171930 628.6372,0.1459350 629.1193,0.1757470 629.6014,0.3029960 
630.0836,0.1099830 630.5657,0.1039850 631.0478,4.7060002E-02 
631.5299,0.1732480 632.0120,0.2875560 632.4941,0.2414950 632.9763,0.1087950 
633.4584,0.1760430 633.9405,0.4831450 634.4226,0.5491070 634.9047,0.3709930 
635.3868,0.2786690 635.8690,0.5931680 636.3511,1.230738 636.8332,1.561384 
637.3153,1.365465 637.7974,1.189035 638.2795,1.132833 638.7617,1.071957 
639.2438,0.8769150 639.7259,0.5985410 640.2080,0.4754310 640.6901,0.7314890 
641.1722,1.116961 641.6544,1.235516 642.1365,1.111208 642.6186,0.9700450 
643.1007,0.8567830 643.5828,0.8014510 644.0649,0.8590700 644.5471,1.036646 
645.0292,1.135761 645.5113,1.057684 645.9934,1.021009 646.4755,1.128117 
646.9576,1.296324 647.4398,1.454237 647.9219,1.572403 648.4040,1.637930 
648.8861,1.602493 649.3682,1.472185 649.8503,1.475624 650.3325,1.708935 
650.8146,1.803797 651.2967,1.407541 651.7788,1.014017 652.2609,1.237146 
652.7430,2.027458 653.2252,2.414511 653.7073,1.564491 654.1894,0.5496160 
654.6715,0.4234980 655.1536,0.9497830 655.6357,1.398174 656.1179,1.519800 
656.6000,1.488178 657.0821,1.528307 657.5642,1.659800 658.0463,1.665541 
658.5284,1.426039 659.0106,1.197445 659.4927,0.9109000 659.9748,0.7278330 
660.4569,0.9060880 660.9390,1.440668 661.4211,1.915812 661.9033,1.979673 
662.3854,1.759747 662.8675,1.511555 663.3496,1.247278 663.8317,1.057264 
664.3138,0.9805090 664.7960,0.9224530 665.2781,0.6896610 665.7602,0.1932540 
666.2423,7.7627003E-02 666.7244,0.7568570 667.2065,1.385208 667.6887,1.589439 
668.1708,1.503620 668.6529,1.267912 669.1350,0.9584920 669.6171,0.7571770 
670.0992,0.9632680 670.5814,1.497314 671.0635,1.627047 671.5456,1.196814 
672.0277,0.8703440 672.5098,0.9982340 672.9919,1.270918 673.4741,1.311998 
673.9562,1.116022 674.4383,0.8680670 674.9204,0.3960690 675.4025,8.9514002E-02 
675.8846,0.4336990 676.3668,1.153358 676.8489,1.632164 677.3310,1.656536 
677.8131,1.449669 678.2952,1.247728 678.7773,1.041790 679.2595,1.124546 
679.7416,1.858927 680.2237,2.289270 680.7058,1.882942 681.1879,1.252102 
681.6700,1.006687 682.1522,1.181185 682.6343,1.294292 683.1164,0.9587330 
683.5985,0.5162300 684.0806,0.4308110 684.5627,0.6213530 685.0449,0.7054580 
685.5270,0.5413090 686.0091,0.3307740 686.4912,0.3344590 686.9733,0.5589370 
687.4554,0.7487950 687.9376,0.9999290 688.4197,1.141359 688.9018,1.038408 
689.3839,0.8428960 689.8660,0.7459340 690.3481,0.7603380 690.8303,0.7157250 
691.3124,0.4320700 691.7945,4.5423999E-02 692.2766,0.1642930 
692.7587,0.2115800 693.2408,0.2818600 693.7230,0.4491600 694.2051,0.6007690 
694.6872,0.6209720 695.1693,0.5075740 695.6514,0.2481730 696.1335,0.2948590 
696.6157,0.7917650 697.0978,1.333925 697.5799,1.702782 698.0620,1.552111 
698.5441,0.9533420 699.0262,0.3983500 699.5084,0.2404860 699.9905,0.3629490 
700.4726,0.5436520 700.9547,0.7870520 701.4368,0.8838420 701.9189,0.7502380 
702.4011,0.5228370 702.8832,0.2658350 703.3653,4.4920002E-03 
703.8474,3.1259999E-02 704.3295,0.5204540 704.8116,0.8451600 
705.2938,0.4350490 705.7759,0.1295430 706.2580,0.2415310 706.7401,0.1084020 
707.2222,0.5783020 707.7043,0.9755710 708.1865,1.250238 708.6686,1.214537 
709.1507,0.8282780 709.6328,0.6596370 710.1149,0.9051860 710.5970,1.186794 
711.0792,1.195656 711.5613,1.016035 712.0434,0.9038010 712.5255,0.9486450 
713.0076,0.9297410 713.4897,0.6241170 713.9719,0.3300650 714.4540,0.4617330 
714.9361,0.8983520 715.4182,1.086937 715.9003,0.6942180 716.3824,0.1367950 
716.8646,0.3700280 717.3467,1.524916 717.8288,1.975077 718.3109,1.235130 
718.7930,0.4951820 719.2751,0.5443100 719.7573,0.9849680 720.2394,1.171349 
720.7215,1.019762 721.2036,0.7870030 721.6857,0.3893620 722.1678,8.4686004E-02 
722.6500,0.2176020 723.1321,0.6297250 723.6142,0.8518200 724.0963,0.6914350 
724.5784,0.4492050 725.0605,0.5666370 725.5427,1.057898 726.0248,1.330690 
726.5069,1.289282 726.9890,1.245279 727.4711,1.376671 727.9532,1.528545 
728.4354,1.533503 728.9175,1.384834 729.3995,1.139956 729.8817,0.5668540 
730.3638,0.1457000 730.8459,0.3887790 731.3280,0.9744260 731.8101,1.281572 
732.2922,1.158585 732.7744,0.9118710 733.2565,0.8435920 733.7386,0.9240380 
734.2207,0.8578450 734.7028,0.5613140 735.1849,0.4006750 735.6671,0.5830760 
736.1492,0.8032890 736.6313,0.7489130 737.1134,0.4922680 737.5955,0.3558460 
738.0776,0.4884800 738.5598,0.6476750 739.0419,0.7393280 739.5240,0.7777270 
740.0061,0.7836420 740.4882,0.7561570 740.9703,0.6441310 741.4525,0.3882620 
741.9346,0.1306290 742.4167,0.2854140 742.8988,0.9425740 743.3809,1.342354 
743.8630,1.293236 744.3452,1.180412 744.8273,1.265598 745.3094,1.442476 
745.7915,1.502087 746.2736,1.385626 746.7557,1.295488 747.2379,1.276918 
747.7200,1.326235 748.2021,1.541992 748.6842,1.810650 749.1663,1.862377 
749.6484,1.590364 750.1306,1.161720 750.6127,0.7713720 751.0948,0.4245280 
751.5769,0.2239650 752.0590,0.2235810 752.5411,0.1691360 753.0233,0.1705530 
753.5054,0.4592570 753.9875,5.8844000E-02 754.4696,1.007408 754.9517,1.461878 
755.4338,0.5099350 755.9160,0.3518510 756.3981,0.4175280 
756.8802,4.6627000E-02 757.3623,0.3547310 757.8444,0.6884780 758.3265,1.015047 
758.8087,1.409906 759.2908,1.767233 759.7729,1.784819 760.2550,1.461428 
760.7371,1.277292 761.2192,1.376659 761.7014,1.437397 762.1835,1.134838 
762.6656,0.5955980 763.1477,0.4197980 763.6298,0.9314990 764.1119,1.173496 
764.5941,0.7914100 765.0762,0.3526100 765.5583,0.1952040 766.0404,0.2898390 
766.5225,0.5394100 767.0046,0.9082030 767.4868,1.295633 767.9689,1.704588 
768.4510,2.034838 768.9331,1.849483 769.4152,1.129034 769.8973,0.6108530 
770.3795,0.6452290 770.8616,0.8934760 771.3437,0.8296790 771.8258,0.3564720 
772.3079,0.2932340 772.7900,1.122755 773.2722,1.728146 773.7543,1.720945 
774.2364,1.498409 774.7185,1.455925 775.2006,1.582392 775.6827,1.573523 
776.1649,1.190844 776.6470,0.7229420 777.1291,0.4651220 777.6112,0.3797990 
778.0933,0.4186330 778.5754,0.5609150 779.0576,0.6118970 779.5397,0.4000280 
780.0218,7.0588998E-02 780.5039,9.2782997E-02 780.9860,0.6531430 
781.4681,1.072655 781.9503,1.370667 782.4324,1.474335 782.9145,1.166389 
783.3966,0.7358530 783.8787,0.6170940 784.3608,0.9050520 784.8430,1.214849 
785.3251,1.382952 785.8072,1.483873 786.2893,1.620052 786.7714,1.739372 
787.2535,1.691946 787.7357,1.444757 788.2178,1.145260 788.6999,0.9469810 
789.1820,0.8256020 789.6641,0.6210250 790.1462,0.2775960 790.6284,0.1108890 
791.1105,0.2238520 791.5926,0.4827120 792.0747,0.9204120 792.5568,1.429710 
793.0389,1.554911 793.5211,0.9319990 794.0032,0.4896560 794.4853,0.6833320 
794.9674,0.9515020 795.4495,0.7703090 795.9316,0.3000070 
796.4138,1.9003000E-02 796.8959,4.3959999E-03 797.3780,0.2084390 
797.8601,0.5842320 798.3422,1.026840 798.8243,1.186502 799.3065,1.050144 
799.7886,0.7627810 800.2707,0.3047010 800.7528,3.7328999E-02 
801.2349,0.1809900 801.7170,1.019337 802.1992,1.442097 802.6813,1.005419 
803.1634,0.7306140 803.6455,0.8839680 804.1276,1.135557 804.6097,1.263237 
805.0919,1.258247 805.5740,1.166872 806.0561,0.9521660 806.5382,0.7825600 
807.0203,0.8225650 807.5024,0.9816950 807.9846,1.149666 808.4667,1.297375 
808.9488,1.345406 809.4309,1.244596 809.9130,1.136412 810.3951,1.336649 
810.8773,1.894011 811.3594,1.917349 811.8415,1.122253 812.3236,0.5525400 
812.8057,0.7406900 813.2878,1.195913 813.7700,1.356348 814.2521,1.241470 
814.7342,1.127127 815.2163,1.014271 815.6984,0.9305100 816.1805,0.8296970 
816.6627,0.8017080 817.1448,1.043831 817.6269,1.458946 818.1090,1.679348 
818.5911,1.484301 819.0732,1.147173 819.5554,0.9607300 820.0375,0.9412840 
820.5196,1.301838 821.0017,2.060205 821.4838,2.408049 821.9659,1.845341 
822.4481,0.9633140 822.9302,0.7689480 823.4123,1.416153 823.8944,1.697130 
824.3765,1.193668 824.8586,0.8988910 825.3408,1.195940 825.8229,1.636623 
826.3050,1.906031 826.7871,1.978041 827.2692,1.871460 827.7513,1.470806 
828.2335,1.088150 828.7156,0.8354660 829.1977,0.7581350 829.6798,1.055437 
830.1619,1.605387 830.6440,1.933882 831.1262,1.795124 831.6083,1.461912 
832.0904,1.289505 832.5725,1.281113 833.0546,1.556002 833.5367,2.190428 
834.0189,2.618355 834.5010,2.542171 834.9831,2.312658 835.4652,2.398712 
835.9473,2.818596 836.4294,2.949627 836.9116,2.548870 837.3937,2.223301 
837.8758,2.013241 838.3579,1.941128 838.8400,2.088135 839.3221,2.382711 
839.8043,2.650537 840.2864,2.829506 840.7685,3.002045 841.2506,3.367048 
841.7327,3.682529 842.2148,3.470627 842.6970,2.857147 843.1791,2.375927 
843.6612,2.225315 844.1433,2.268568 844.6254,2.368237 845.1075,2.511547 
845.5897,2.621422 846.0718,2.723139 846.5539,2.641514 847.0360,2.210804 
847.5181,1.808455 848.0002,1.771744 848.4824,2.027441 848.9645,2.235554 
849.4466,2.507700 849.9287,2.532246 850.4108,1.971184 850.8929,1.481415 
851.3751,1.462025 851.8572,1.729414 852.3393,2.076948 852.8214,2.428093 
853.3035,2.587427 853.7856,2.197012 854.2678,1.678522 854.7499,1.589853 
855.2320,1.814503 855.7141,2.094131 856.1962,2.353592 856.6783,2.482328 
857.1605,2.317907 857.6426,2.048977 858.1247,2.387623 858.6068,3.506363 
859.0889,3.844616 859.5710,2.997566 860.0532,2.200052 860.5353,2.045059 
861.0174,2.228186 861.4995,2.213556 861.9816,1.964468 862.4637,1.801950 
862.9459,1.783039 863.4280,1.798326 863.9101,1.862467 864.3922,1.903831 
864.8743,1.759991 865.3564,1.510490 865.8386,1.467878 866.3207,1.829628 
866.8028,2.250465 867.2849,2.479513 867.7670,2.562077 868.2491,2.511360 
868.7313,2.359867 869.2134,2.182417 869.6955,2.013472 870.1776,1.895092 
870.6597,1.851627 871.1418,1.868334 871.6239,1.864815 872.1060,1.858540 
872.5881,1.688744 873.0703,1.243248 873.5524,0.7903060 874.0345,0.4778900 
874.5166,0.3528940 874.9987,0.6336080 875.4808,1.836496 875.9630,2.544930 
876.4451,2.425798 876.9272,2.159077 877.4093,2.023979 877.8914,1.935854 
878.3735,1.758390 878.8557,1.479593 879.3378,1.187330 879.8199,0.7867720 
880.3020,0.5166950 880.7841,0.6785950 881.2662,1.039705 881.7484,1.225348 
882.2305,1.228342 882.7126,1.344229 883.1947,1.766813 883.6768,2.127445 
884.1589,1.671274 884.6411,0.6041560 885.1232,0.1845720 885.6053,0.4824030 
886.0874,0.7010650 886.5695,0.5211600 887.0516,0.2734430 887.5338,0.3697910 
888.0159,0.7865720 888.4980,0.9542200 888.9801,0.6671810 889.4622,0.5496080 
889.9443,0.8492130 890.4265,1.159559 890.9086,1.258854 891.3907,1.221327 
891.8728,1.161154 892.3549,1.096035 892.8370,0.9775980 893.3192,0.7683700 
893.8013,0.5289330 894.2834,0.1739640 894.7655,0.1212690 
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896.6940,0.4351200 897.1761,9.6974999E-02 897.6582,0.1018370 
898.1403,0.1129910 898.6224,0.3385010 899.1046,1.154131 899.5867,1.640396 
900.0688,1.489403 900.5509,1.073301 901.0330,0.8514920 901.5151,0.8114050 
901.9973,0.8867000 902.4794,1.120644 902.9615,1.200239 903.4436,1.010778 
903.9257,0.7583810 904.4078,0.5738350 904.8900,0.4602280 905.3721,0.4417550 
905.8542,0.6459310 906.3363,0.6618840 906.8184,0.3252600 
907.3005,6.0999999E-03 907.7827,0.2279420 908.2648,0.3383640 
908.7469,0.2072700 909.2290,0.1241210 909.7111,0.3195860 910.1932,0.1294120 
910.6754,3.4132000E-02 911.1575,2.6817000E-02 911.6396,0.2530520 
912.1217,0.8268010 912.6038,1.481892 913.0859,1.490252 913.5681,0.5974080 
914.0502,0.3968830 914.5323,0.7499150 915.0144,0.6381890 915.4965,0.2066030 
915.9786,0.4047750 916.4608,0.4690250 916.9429,0.1376320 917.4250,0.5401590 
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925.1389,9.2661001E-02 925.6210,0.2714940 926.1031,0.6436870 
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937.6739,0.7697580 938.1560,1.433068 938.6381,1.760738 939.1202,1.374405 
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953.1016,1.028528 953.5837,1.589129 954.0659,2.145506 954.5480,2.055859 
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998.9027,0.9080120 999.3848,1.035629 999.8669,1.069043 1000.349,1.028652 
1000.831,0.8617140 1001.313,0.6469410 1001.795,0.6604070 1002.278,1.098778 
1002.760,1.404542 1003.242,1.201300 1003.724,0.9705500 1004.206,1.082900 
1004.688,1.305483 1005.170,1.322547 1005.652,1.140594 1006.134,0.9003100 
1006.617,0.5810460 1007.099,0.3650810 1007.581,0.4305940 1008.063,0.6122180 
1008.545,0.7981520 1009.027,0.9563670 1009.509,1.046425 1009.991,1.068424 
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1022.526,1.595361 1023.008,1.423901 1023.491,1.386072 1023.973,1.521766 
1024.455,1.727216 1024.937,1.617465 1025.419,1.182844 1025.901,0.9370780 
1026.383,0.9253830 1026.865,0.9593730 1027.348,0.9545680 1027.830,1.040943 
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1036.026,0.9008580 1036.508,0.9862000 1036.990,1.206385 1037.472,1.516579 
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1039.883,1.9024000E-02 1040.365,7.3048003E-02 1040.847,0.4073790 
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1043.257,1.163845 1043.740,0.9883030 1044.222,0.8968840 1044.704,0.8530410 
1045.186,0.9643990 1045.668,1.636702 1046.150,2.682641 1046.632,2.920898 
1047.114,1.663935 1047.596,0.8539020 1048.079,0.8634610 1048.561,1.062047 
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1054.828,1.415127 1055.310,1.285772 1055.792,1.610467 1056.275,1.620148 
1056.757,0.6368790 1057.239,9.7397000E-02 1057.721,0.2126010 
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1060.131,0.4508870 1060.614,0.2649540 1061.096,0.6811940 1061.578,1.143968 
1062.060,1.491786 1062.542,1.682208 1063.024,1.651478 1063.506,1.442840 
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1067.845,0.7224750 1068.328,0.7329550 1068.810,0.3992400 1069.292,0.1397120 
1069.774,0.1126430 1070.256,0.2068360 1070.738,0.4181710 1071.220,0.6763400 
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1080.863,0.9175400 1081.345,1.365357 1081.827,1.424335 1082.309,1.239004 
1082.791,0.6987810 1083.273,0.3554900 1083.755,0.5594290 1084.237,0.9486100 
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1101.111,0.6229000 1101.594,3.8187999E-02 1102.076,0.5244740 
1102.558,0.6200710 1103.040,0.1189810 1103.522,1.099027 1104.004,1.727406 
1104.486,1.940738 1104.968,1.723385 1105.450,0.8023250 1105.932,0.1371310 
1106.415,4.7063001E-02 1106.897,1.7942000E-02 1107.379,0.4559300 
1107.861,0.9172300 1108.343,1.067440 1108.825,0.9904300 1109.307,0.9693810 
1109.789,1.068997 1110.272,1.073032 1110.754,0.8236970 1111.236,0.6296040 
1111.718,0.6098650 1112.200,0.6210690 1112.682,0.4884380 1113.164,0.3565130 
1113.646,0.5795570 1114.129,1.219815 1114.611,1.460007 1115.093,0.8027730 
1115.575,0.4699460 1116.057,0.8322500 1116.539,1.183546 1117.021,1.169667 
1117.503,1.023801 1117.985,1.068789 1118.468,1.258658 1118.950,1.173323 
1119.432,0.5012910 1119.914,0.2233840 1120.396,0.5534020 1120.878,0.9070430 
1121.360,1.146494 1121.842,1.278289 1122.324,1.291815 1122.807,1.210125 
1123.289,1.091736 1123.771,0.9256180 1124.253,0.8250690 1124.735,0.7848770 
1125.217,0.7925450 1125.699,0.8443970 1126.181,0.9642240 1126.664,1.214488 
1127.146,1.423850 1127.628,1.258349 1128.110,0.7472810 1128.592,0.4551530 
1129.074,0.3909650 1129.556,0.5457770 1130.038,0.9928140 1130.521,1.207391 
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1134.859,1.794176 1135.342,1.698318 1135.824,1.697154 1136.306,2.140706 
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1142.091,0.4096910 1142.573,0.8493740 1143.056,1.462721 1143.538,1.840693 
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1160.412,1.113640 1160.894,1.042164 1161.376,0.9493350 1161.858,0.7910260 
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1164.269,1.061996 1164.751,0.7211160 1165.233,0.9099140 1165.715,0.9220170 
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1177.286,0.5999520 1177.768,0.4757650 1178.250,0.4300660 1178.732,0.5240140 
1179.214,0.6761600 1179.696,0.8486420 1180.178,0.9333030 1180.661,0.5305370 
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1192.231,0.5078960 1192.714,0.6779490 1193.196,0.9363990 1193.678,1.412518 
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1198.017,0.5860340 1198.499,0.8734690 1198.981,1.343810 1199.463,1.541347 
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1209.105,0.5330130 1209.588,0.3767220 1210.070,0.6242660 1210.552,1.506000 
1211.034,2.068770 1211.516,1.913912 1211.998,1.564662 1212.480,0.9543930 
1212.962,0.4608370 1213.445,0.3961260 1213.927,0.5283760 1214.409,0.5778880 
1214.891,0.5684710 1215.373,0.5290390 1215.855,0.3139850 1216.337,0.4770690 
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1218.748,0.8349950 1219.230,0.8825220 1219.712,0.8309980 1220.194,0.7158210 
1220.676,0.6804040 1221.158,0.7284280 1221.641,0.9924690 1222.123,1.404225 
1222.605,1.335350 1223.087,0.6906910 1223.569,0.3291820 1224.051,0.8088500 
1224.533,1.477873 1225.015,1.613835 1225.497,1.457129 1225.979,1.283810 
1226.462,1.074414 1226.944,0.6110340 1227.426,0.1392790 1227.908,0.3649090 
1228.390,1.307722 1228.872,1.935023 1229.354,1.735488 1229.836,1.395380 
1230.319,1.068685 1230.801,0.8324840 1231.283,0.7422200 1231.765,0.7299320 
1232.247,0.7716630 1232.729,0.8347010 1233.211,0.8408580 1233.693,0.7870170 
1234.176,0.8289090 1234.658,1.058630 1235.140,1.109662 1235.622,0.8969920 
1236.104,0.7408850 1236.586,0.7804760 1237.068,0.8275820 1237.550,0.7415770 
1238.032,0.5818470 1238.515,0.4416330 1238.997,0.3312640 1239.479,0.3125310 
1239.961,0.3811840 1240.443,0.5382240 1240.925,0.7628410 1241.407,0.9939630 
1241.889,1.191473 1242.371,1.213255 1242.854,0.9431270 1243.336,0.6076350 
1243.818,0.2553140 1244.300,0.1489920 1244.782,0.8206090 1245.264,1.724955 
1245.746,2.285171 1246.228,2.455371 1246.711,2.234919 1247.193,1.677245 
1247.675,1.156362 1248.157,0.6758890 1248.639,0.4659370 1249.121,0.8015450 
1249.603,1.120117 1250.085,1.145732 1250.568,1.173382 1251.050,1.541166 
1251.532,1.908235 1252.014,1.637361 1252.496,0.8092790 1252.978,0.3395540 
1253.460,0.2421730 1253.942,0.5203370 1254.424,1.229974 1254.906,1.563970 
1255.389,1.301339 1255.871,0.8371250 1256.353,0.3959190 1256.835,0.1661530 
1257.317,0.5150970 1257.799,1.089905 1258.281,1.112500 1258.763,0.8696310 
1259.246,0.9551080 1259.728,1.268423 1260.210,1.457240 1260.692,1.475321 
1261.174,1.512730 1261.656,1.665384 1262.138,1.661326 1262.620,1.190930 
1263.103,0.7561060 1263.585,0.4793240 1264.067,0.4482990 1264.549,0.9258420 
1265.031,1.544671 1265.513,1.945140 1265.995,2.062400 1266.477,1.604032 
1266.959,0.2997240 1267.442,0.2271070 1267.924,0.2245660 1268.406,0.7522940 
1268.888,1.258114 1269.370,1.626346 1269.852,1.807218 1270.334,1.815310 
1270.816,1.633472 1271.298,1.409244 1271.781,1.505436 1272.263,1.772523 
1272.745,1.750670 1273.227,1.551876 1273.709,1.529028 1274.191,1.635296 
1274.673,1.487393 1275.155,1.024906 1275.638,0.7574630 1276.120,1.018496 
1276.602,1.376065 1277.084,1.684000 1277.566,1.890758 1278.048,1.879334 
1278.530,1.840322 1279.012,1.772046 1279.495,1.605262 1279.977,1.064069 
1280.459,0.2092150 1280.941,7.7758998E-02 1281.423,0.5122240 
1281.905,0.6394230 1282.387,7.8544997E-02 1282.869,1.3577000E-02 
1283.351,0.7083110 1283.833,1.502228 1284.316,1.951047 1284.798,1.839045 
1285.280,1.210672 1285.762,0.2272490 1286.244,2.9805001E-02 1286.726,0.2309890 
1287.208,0.1645230 1287.690,0.0000000E+00 
##MOLFORM=Fe S2
##RESOLUTION=4
##PRESSURE=100
##TEMPERATURE=26.85
##END=
