##TITLE=8100008
##JCAMP-DX=4.24
##DATA TYPE=RAMAN SPECTRUM
##SOURCE REFERENCE=http://solsa.crystallography.net/rod/8100008.rod
##OWNER=PUBLIC DOMAIN
##XUNITS=1/CM
##YUNITS=ARBITRARY UNITS
##FIRSTX=155.6912
##LASTX=1284.808
##XFACTOR=1
##YFACTOR=1
##NPOINTS=2343
##FIRSTY=0.0000000E+00
##LASTY=0.0000000E+00
##XYPOINTS=(XY..XY)
155.6912,0.0000000E+00 156.1733,0.1358340 156.6554,9.0330001E-03 
157.1375,0.7626340 157.6196,1.908325 158.1018,4.183136 158.5839,4.971893 
159.0660,3.321991 159.5481,1.268921 160.0302,0.1257320 160.5123,0.5516660 
160.9945,0.2350460 161.4766,0.4680180 161.9587,1.973602 162.4408,3.250610 
162.9229,4.538513 163.4050,5.496857 163.8871,5.615692 164.3693,4.721741 
164.8514,3.315125 165.3335,2.599854 165.8156,2.407562 166.2977,3.138733 
166.7798,5.632050 167.2620,8.947418 167.7441,11.67075 168.2262,13.17786 
168.7083,13.75586 169.1904,14.07825 169.6725,13.73816 170.1547,13.87283 
170.6368,15.17746 171.1189,17.38373 171.6010,19.62256 172.0831,21.64645 
172.5652,23.31650 173.0474,24.45181 173.5295,24.70450 174.0116,25.07733 
174.4937,26.32574 174.9758,28.44943 175.4579,30.97470 175.9401,34.22491 
176.4222,37.52228 176.9043,40.05814 177.3864,41.56226 177.8685,42.60190 
178.3506,43.79379 178.8328,45.08386 179.3149,46.80066 179.7970,49.35260 
180.2791,52.22241 180.7612,54.94156 181.2433,57.34506 181.7255,59.58102 
182.2076,62.00510 182.6897,64.82321 183.1718,67.43570 183.6539,69.90784 
184.1360,72.08615 184.6181,73.70074 185.1003,74.59183 185.5824,75.00909 
186.0645,75.80600 186.5466,76.80222 187.0287,78.51498 187.5108,81.80563 
187.9930,85.61481 188.4751,88.49286 188.9572,89.56366 189.4393,89.25949 
189.9214,89.98596 190.4035,92.99142 190.8857,95.64011 191.3678,97.48898 
191.8499,98.64172 192.3320,99.23672 192.8141,99.27417 193.2962,98.88333 
193.7784,99.10068 194.2605,100.5741 194.7426,101.8164 195.2247,102.4325 
195.7068,102.4271 196.1889,101.7367 196.6711,100.0516 197.1532,97.75821 
197.6353,96.72171 198.1174,98.23932 198.5995,99.68649 199.0816,99.54648 
199.5638,97.97638 200.0459,96.02563 200.5280,94.07416 201.0101,92.25354 
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205.3492,80.23618 205.8313,79.82419 206.3134,79.99924 206.7955,79.49692 
207.2776,78.23251 207.7597,76.68027 208.2419,74.76257 208.7240,72.77011 
209.2061,71.01740 209.6882,69.64148 210.1703,68.46530 210.6524,67.14313 
211.1346,65.54251 211.6167,64.16846 212.0988,63.33698 212.5809,62.71844 
213.0630,61.99649 213.5451,60.96024 214.0273,59.77756 214.5094,58.65387 
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220.7769,46.07413 221.2590,44.29507 221.7411,42.30731 222.2232,40.99789 
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224.6338,34.08997 225.1159,34.43842 225.5980,35.05411 226.0802,34.58109 
226.5623,31.29474 227.0444,28.96066 227.5265,28.83743 228.0086,29.53778 
228.4907,29.12799 228.9729,26.74680 229.4550,23.28409 229.9371,21.09634 
230.4192,20.91919 230.9013,20.76141 231.3834,20.46539 231.8656,19.98239 
232.3477,19.17062 232.8298,17.93588 233.3119,16.51059 233.7940,15.43115 
234.2761,14.86710 234.7583,14.15637 235.2404,12.89685 235.7225,11.41910 
236.2046,10.39960 236.6867,10.18045 237.1688,10.17401 237.6510,9.147797 
238.1331,6.909607 238.6152,5.065216 239.0973,4.446167 239.5794,4.581909 
240.0615,4.432037 240.5437,3.617676 241.0258,2.652832 241.5079,2.260559 
241.9900,2.421021 242.4721,2.608795 242.9542,2.575623 243.4364,2.406982 
243.9185,2.356812 244.4006,2.565796 244.8827,2.730011 245.3648,2.627655 
245.8469,2.272369 246.3290,1.580322 246.8112,0.2148130 247.2933,1.542694 
247.7754,2.910980 248.2575,3.881531 248.7396,4.236023 249.2217,3.415802 
249.7039,1.794403 250.1860,0.6736450 250.6681,1.138550 251.1502,2.730743 
251.6323,3.806000 252.1144,4.351624 252.5966,4.205414 253.0787,2.973358 
253.5608,1.069122 254.0429,0.5694270 254.5250,1.067932 255.0071,0.8636170 
255.4893,1.779938 255.9714,4.537964 256.4535,7.294800 256.9356,9.375610 
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261.2747,20.56757 261.7568,22.98904 262.2389,25.87289 262.7210,29.06140 
263.2031,32.17578 263.6852,35.40829 264.1674,38.18954 264.6495,40.29388 
265.1316,41.99866 265.6137,43.47876 266.0958,44.78366 266.5779,46.12244 
267.0601,48.06833 267.5422,51.18802 268.0243,53.88080 268.5064,55.58994 
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270.9170,66.18021 271.3991,68.51810 271.8812,70.51990 272.3633,71.93872 
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282.4878,88.51965 282.9699,89.28375 283.4520,89.06839 283.9341,86.95441 
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286.3447,82.87802 286.8268,81.21640 287.3089,79.54019 287.7910,77.52164 
288.2732,75.86676 288.7553,75.03564 289.2374,74.72427 289.7195,74.43088 
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299.8440,54.54733 300.3261,53.04071 300.8082,51.30917 301.2903,49.82732 
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303.7009,50.96487 304.1830,50.92593 304.6651,50.28735 305.1472,48.80612 
305.6294,46.68088 306.1115,44.61143 306.5936,43.20111 307.0757,42.54114 
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309.4863,41.49017 309.9684,39.51437 310.4505,36.80725 310.9326,33.64534 
311.4148,31.71927 311.8969,31.75027 312.3790,31.84763 312.8611,31.89081 
313.3432,31.66544 313.8253,30.74356 314.3075,28.89436 314.7896,26.50375 
315.2717,24.54089 315.7538,23.14136 316.2359,21.97685 316.7180,21.16414 
317.2001,20.51418 317.6823,19.84126 318.1644,19.08481 318.6465,18.27214 
319.1286,17.44035 319.6107,16.60420 320.0928,15.71007 320.5750,14.37831 
321.0571,13.24005 321.5392,12.97945 322.0213,13.56693 322.5034,14.23491 
322.9855,14.22134 323.4677,13.42204 323.9498,12.54243 324.4319,11.22038 
324.9140,10.15437 325.3961,9.797150 325.8782,10.01929 326.3604,10.38855 
326.8425,10.63200 327.3246,10.74751 327.8067,10.69073 328.2888,10.41711 
328.7709,10.05566 329.2531,9.665131 329.7352,9.207230 330.2173,8.585480 
330.6994,7.746643 331.1815,6.789841 331.6636,5.972656 332.1458,5.631485 
332.6279,5.011734 333.1100,3.485580 333.5921,1.974136 334.0742,1.712112 
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337.9312,2.5986001E-02 338.4133,1.279419 338.8954,2.498566 339.3775,3.265472 
339.8596,3.590576 340.3417,3.302444 340.8239,1.859100 341.3060,0.4549560 
341.7881,0.4953160 342.2702,1.086121 342.7523,1.603409 343.2344,2.240341 
343.7166,2.894943 344.1987,3.056030 344.6808,2.152725 345.1629,1.373062 
345.6450,0.8631290 346.1271,0.5134580 346.6093,0.2256320 
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349.0198,1.957474 349.5020,1.077652 349.9841,0.1617740 350.4662,0.1089170 
350.9483,0.9440310 351.4304,2.020294 351.9125,2.690460 352.3947,2.957092 
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354.8052,2.430939 355.2874,3.760941 355.7695,3.801117 356.2516,2.842743 
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366.3760,12.05080 366.8581,12.34700 367.3402,13.36557 367.8224,14.60008 
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381.8037,46.43460 382.2859,46.77499 382.7680,47.16199 383.2501,48.06441 
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393.3745,45.00427 393.8567,44.17281 394.3388,42.62086 394.8209,40.73486 
395.3030,39.50858 395.7851,39.41672 396.2672,39.51219 396.7494,37.98866 
397.2315,33.75874 397.7136,30.51015 398.1957,29.03363 398.6778,28.14046 
399.1599,26.76120 399.6420,24.81238 400.1241,23.03902 400.6063,22.18269 
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495.5832,6.961212 496.0653,7.256256 496.5474,7.438766 497.0295,7.480255 
497.5117,7.236023 497.9938,6.622482 498.4759,5.969513 498.9580,5.433517 
499.4401,5.070313 499.9222,5.106979 500.4044,6.340836 500.8865,7.169464 
501.3686,6.271500 501.8507,4.434464 502.3328,3.359909 502.8149,3.649246 
503.2971,4.461578 503.7792,4.619553 504.2613,3.933212 504.7434,3.216232 
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509.0825,0.7461700 509.5646,0.7303470 510.0467,0.3355560 510.5288,0.2168120 
511.0109,1.087051 511.4930,2.066467 511.9752,2.485123 512.4573,1.558838 
512.9394,2.3819000E-02 513.4215,0.1450040 513.9036,1.367844 514.3857,2.204041 
514.8679,1.023209 515.3500,0.9906310 515.8321,2.490494 516.3142,3.494415 
516.7963,3.574371 517.2784,1.489044 517.7606,1.138596 518.2427,1.688782 
518.7248,4.0329002E-02 519.2069,1.561081 519.6890,1.622330 520.1711,0.4298400 
520.6533,0.6193540 521.1354,2.023605 521.6175,2.669403 522.0996,1.788193 
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532.2241,5.592484 532.7062,6.068558 533.1883,6.894623 533.6704,7.731079 
534.1525,8.317871 534.6346,8.745926 535.1168,9.181717 535.5989,9.646179 
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545.7233,39.03543 546.2054,41.23628 546.6875,42.71741 547.1696,43.92055 
547.6517,44.71075 548.1339,45.61700 548.6160,47.29521 549.0981,49.47452 
549.5802,51.42155 550.0623,52.70337 550.5444,54.02357 551.0266,56.02991 
551.5087,58.40244 551.9908,60.33109 552.4729,61.55551 552.9550,62.63963 
553.4371,64.38792 553.9193,67.08806 554.4014,68.67157 554.8835,67.70743 
555.3656,67.39842 555.8477,69.56224 556.3298,72.84534 556.8120,75.24065 
557.2941,76.02101 557.7762,75.96031 558.2583,76.17287 558.7404,76.76549 
559.2225,76.71149 559.7047,75.20769 560.1868,74.07773 560.6689,74.43842 
561.1510,75.63820 561.6331,76.58310 562.1152,76.92657 562.5974,76.97540 
563.0795,77.24785 563.5616,77.49049 564.0437,76.58521 564.5258,74.10837 
565.0079,71.40004 565.4901,69.69200 565.9722,68.93384 566.4543,67.91081 
566.9364,66.69901 567.4185,65.18666 567.9006,63.03064 568.3828,60.70160 
568.8649,58.93010 569.3470,57.85587 569.8291,56.84760 570.3112,55.11542 
570.7933,52.54073 571.2755,50.64087 571.7576,50.48549 572.2397,49.74178 
572.7218,47.11951 573.2039,43.88887 573.6860,41.62048 574.1682,40.71599 
574.6503,40.37575 575.1324,40.25391 575.6145,40.20680 576.0966,39.32744 
576.5787,37.32513 577.0609,35.16858 577.5430,33.76796 578.0251,32.76537 
578.5072,31.03688 578.9893,27.98938 579.4714,25.36693 579.9536,24.08437 
580.4357,23.43683 580.9178,22.61102 581.3999,21.52176 581.8820,20.35559 
582.3641,19.28975 582.8463,18.26492 583.3284,16.81558 583.8105,14.06845 
584.2926,12.16940 584.7747,11.59036 585.2568,11.61847 585.7390,11.94730 
586.2211,12.40132 586.7032,12.63234 587.1853,12.23949 587.6674,11.52171 
588.1495,11.59010 588.6317,12.67616 589.1138,13.21596 589.5959,12.54637 
590.0780,11.22998 590.5601,9.751984 591.0422,8.114914 591.5244,7.048157 
592.0065,7.213470 592.4886,7.703629 592.9707,7.592636 593.4528,7.070862 
593.9349,7.046921 594.4171,7.988754 594.8992,9.087769 595.3813,8.849487 
595.8634,6.607422 596.3455,4.982681 596.8276,4.230682 597.3098,3.732910 
597.7919,3.116257 598.2740,2.601974 598.7561,2.838928 599.2382,4.143326 
599.7203,5.291687 600.2025,4.100418 600.6846,0.6655120 601.1667,1.177292 
601.6488,0.6528020 602.1309,0.7181090 602.6130,2.780075 603.0952,4.837631 
603.5773,5.182953 604.0594,2.624573 604.5415,0.1938780 605.0236,0.4118190 
605.5057,2.8625000E-02 605.9879,0.4467620 606.4700,0.6313170 
606.9521,0.6061550 607.4342,0.3078310 607.9163,0.1558380 
608.3984,6.1172001E-02 608.8806,1.786423 609.3627,3.060455 609.8448,3.721283 
610.3269,3.884048 610.8090,3.546402 611.2911,2.778488 611.7733,1.723190 
612.2554,0.2009890 612.7375,1.290253 613.2196,1.290909 613.7017,0.3927150 
614.1838,1.419937 614.6660,0.6081090 615.1481,0.5572970 615.6302,0.1003880 
616.1123,1.846542 616.5944,3.283722 617.0765,3.619934 617.5587,3.498001 
618.0408,3.068954 618.5229,2.548096 619.0050,2.433624 619.4871,2.889740 
619.9692,3.458252 620.4514,3.463196 620.9335,2.766617 621.4156,2.560074 
621.8977,3.405914 622.3798,4.086426 622.8619,4.209030 623.3441,4.045166 
623.8262,3.957840 624.3083,4.026459 624.7904,3.923157 625.2725,2.994064 
625.7546,1.719193 626.2367,1.615814 626.7188,2.858047 627.2009,4.085617 
627.6830,4.514587 628.1652,4.549713 628.6473,5.256363 629.1294,7.051331 
629.6115,8.081543 630.0936,7.584610 630.5757,6.659103 631.0579,5.923767 
631.5400,5.449768 632.0221,5.203964 632.5042,5.174728 632.9863,5.294937 
633.4684,5.421173 633.9506,5.511963 634.4327,5.834274 634.9148,6.647171 
635.3969,7.379425 635.8790,7.572556 636.3611,7.546249 636.8433,7.960144 
637.3254,9.198624 637.8075,10.17453 638.2896,9.749344 638.7717,8.608475 
639.2538,7.924423 639.7360,7.883240 640.2181,8.683990 640.7002,10.70833 
641.1823,13.47441 641.6644,15.02989 642.1465,14.25948 642.6287,13.87340 
643.1108,14.01088 643.5929,14.13167 644.0750,13.98482 644.5571,13.69897 
645.0392,13.68764 645.5214,14.19301 646.0035,15.04651 646.4856,16.04068 
646.9677,17.17444 647.4498,18.30386 647.9319,19.65033 648.4141,20.44748 
648.8962,19.47334 649.3783,17.42860 649.8604,16.68915 650.3425,18.14589 
650.8246,19.65068 651.3068,20.50932 651.7889,20.89412 652.2710,20.88117 
652.7531,20.55215 653.2352,20.17020 653.7173,19.90512 654.1995,19.80331 
654.6816,20.09626 655.1637,20.95412 655.6458,21.80269 656.1279,22.87489 
656.6100,23.62330 657.0922,23.43852 657.5743,22.61554 658.0564,22.19098 
658.5385,22.82808 659.0206,23.57796 659.5027,23.41878 659.9849,22.74127 
660.4670,22.58237 660.9491,23.17639 661.4312,24.09217 661.9133,25.06300 
662.3954,26.02080 662.8776,26.12991 663.3597,24.59851 663.8418,23.31356 
664.3239,22.12061 664.8060,21.48531 665.2881,22.28319 665.7703,24.11617 
666.2524,25.42191 666.7345,25.07417 667.2166,23.66451 667.6987,21.99017 
668.1808,20.10802 668.6630,19.14213 669.1451,19.55313 669.6272,20.58275 
670.1093,21.54019 670.5914,22.40618 671.0735,22.80450 671.5557,22.39967 
672.0378,21.96001 672.5199,21.99918 673.0020,21.97604 673.4841,21.17329 
673.9662,19.62115 674.4484,18.01013 674.9305,16.84609 675.4126,16.07266 
675.8947,15.41959 676.3768,14.89603 676.8589,14.49348 677.3411,14.43480 
677.8232,14.24994 678.3053,13.27267 678.7874,11.81898 679.2695,11.01344 
679.7516,11.73530 680.2338,12.37928 680.7159,11.80193 681.1980,10.61264 
681.6801,9.694862 682.1622,9.345139 682.6443,9.406097 683.1265,9.706261 
683.6086,10.08783 684.0907,9.840843 684.5728,8.459511 685.0549,7.592407 
685.5370,8.108414 686.0192,8.627739 686.5013,8.134445 686.9834,6.980370 
687.4655,6.290573 687.9476,6.686081 688.4297,7.313850 688.9119,7.555855 
689.3940,7.430534 689.8761,6.815613 690.3582,5.708565 690.8403,4.736824 
691.3224,4.416824 691.8046,4.599182 692.2867,4.564934 692.7688,4.260483 
693.2509,3.809578 693.7330,2.991600 694.2151,2.252762 694.6973,1.780045 
695.1794,1.608871 695.6615,1.865685 696.1436,2.763489 696.6257,3.546837 
697.1078,3.151062 697.5900,1.943024 698.0721,1.306900 698.5542,1.485909 
699.0363,1.422249 699.5184,0.1198880 700.0005,1.768326 700.4827,1.885101 
700.9648,1.760857 701.4469,3.927513 701.9290,3.519814 702.4111,2.596237 
702.8932,2.314117 703.3754,2.471642 703.8575,2.417809 704.3396,1.886627 
704.8217,1.249329 705.3038,1.109779 705.7859,1.291954 706.2681,0.6237490 
706.7502,1.222000 707.2323,2.101898 707.7144,0.3055340 708.1965,2.777122 
708.6786,3.769547 709.1607,1.632919 709.6428,0.5861280 710.1249,1.910439 
710.6071,3.387978 711.0892,3.882530 711.5713,3.621300 712.0534,2.995125 
712.5355,2.166916 713.0176,1.460342 713.4998,1.415665 713.9819,1.854492 
714.4640,1.691719 714.9461,0.7952580 715.4282,0.1112210 715.9103,0.1639330 
716.3925,0.4977190 716.8746,0.3685760 717.3567,0.2885890 717.8388,0.7605740 
718.3209,0.9977110 718.8030,1.025642 719.2852,0.7809220 719.7673,0.3670350 
720.2494,0.1309050 720.7315,0.6641690 721.2136,1.147491 721.6957,1.583923 
722.1779,1.875069 722.6600,1.506081 723.1421,0.3564380 723.6242,0.4329530 
724.1063,0.5322950 724.5884,0.1568370 725.0706,0.8004150 725.5527,2.238884 
726.0348,2.706116 726.5169,0.7201160 726.9990,0.5027160 727.4811,1.016479 
727.9633,3.242256 728.4454,4.080826 728.9275,3.413292 729.4096,2.304634 
729.8917,1.395538 730.3738,0.6863330 730.8560,0.1667630 731.3381,0.1629410 
731.8202,2.4620000E-02 732.3023,0.8591770 732.7844,1.654686 733.2665,1.681046 
733.7487,1.113480 734.2308,0.6603470 734.7129,0.1770400 735.1950,9.1370001E-02 
735.6771,0.8429490 736.1592,1.718346 736.6414,2.159401 737.1235,2.254463 
737.6056,2.485039 738.0877,3.086441 738.5698,3.360886 739.0519,1.769882 
739.5341,1.328041 740.0162,2.471581 740.4983,1.134193 740.9804,0.5014420 
741.4625,1.478531 741.9446,2.039818 742.4268,2.676506 742.9089,3.512024 
743.3910,3.830788 743.8731,3.217964 744.3552,2.423523 744.8373,1.516006 
745.3195,0.7933500 745.8016,0.7095110 746.2837,1.318871 746.7658,2.174797 
747.2479,3.068321 747.7300,3.816818 748.2122,3.738159 748.6943,2.816628 
749.1764,2.138329 749.6585,2.021332 750.1406,2.216919 750.6227,2.539688 
751.1049,2.981880 751.5870,3.304878 752.0691,3.817734 752.5512,3.809418 
753.0333,2.296036 753.5154,0.8822560 753.9976,1.080986 754.4797,2.624855 
754.9618,4.314636 755.4439,5.652443 755.9260,6.492035 756.4081,6.397331 
756.8903,5.606728 757.3724,5.224617 757.8545,5.322464 758.3366,5.065750 
758.8187,3.876495 759.3008,2.127464 759.7830,1.015839 760.2651,0.5045700 
760.7472,0.7632830 761.2293,2.804535 761.7114,4.432831 762.1935,4.514107 
762.6757,3.761307 763.1578,3.108162 763.6399,2.781227 764.1220,2.597740 
764.6041,2.194748 765.0862,1.862625 765.5684,2.348846 766.0505,3.418976 
766.5326,4.333389 767.0147,4.883568 767.4968,4.886124 767.9789,4.015869 
768.4611,2.329765 768.9432,1.451706 769.4253,1.706055 769.9074,2.221931 
770.3895,3.317505 770.8716,4.223679 771.3538,4.293640 771.8359,3.727051 
772.3180,3.202339 772.8001,2.869751 773.2822,2.738190 773.7643,2.988586 
774.2465,3.395332 774.7286,3.686134 775.2107,3.759926 775.6928,3.484581 
776.1749,2.776878 776.6570,1.893578 777.1392,1.264648 777.6213,0.8812560 
778.1034,0.9550700 778.5855,1.688545 779.0676,2.432037 779.5497,2.935844 
780.0319,3.277435 780.5140,3.567154 780.9961,3.808823 781.4782,3.836792 
781.9603,3.625320 782.4424,3.297066 782.9246,2.940804 783.4067,2.471031 
783.8888,1.537949 784.3709,0.2475130 784.8530,0.4729310 785.3351,0.5170520 
785.8173,2.291740 786.2994,2.379135 786.7815,0.7742310 787.2636,8.0063000E-02 
787.7457,0.9832310 788.2278,2.165779 788.7100,2.730072 789.1921,2.739807 
789.6742,2.433876 790.1563,1.427094 790.6384,0.8648150 791.1205,1.250580 
791.6026,1.642799 792.0847,1.303177 792.5668,0.6647340 793.0490,0.6065140 
793.5311,1.402534 794.0132,2.270813 794.4953,2.553795 794.9774,2.508774 
795.4595,2.516075 795.9417,2.604019 796.4238,2.922813 796.9059,3.534500 
797.3880,3.951370 797.8701,3.768837 798.3522,3.188171 798.8344,3.036987 
799.3165,3.775833 799.7986,3.803314 800.2807,1.629921 800.7628,0.2061610 
801.2449,0.2237090 801.7271,2.187820 802.2092,3.641991 802.6913,4.096115 
803.1734,4.031860 803.6555,3.237289 804.1376,2.389206 804.6198,2.364029 
805.1019,2.942268 805.5840,3.230827 806.0661,2.856331 806.5482,2.438385 
807.0303,2.991768 807.5125,4.353165 807.9946,4.852791 808.4767,4.360893 
808.9588,3.722984 809.4409,3.106659 809.9230,2.635963 810.4052,2.525421 
810.8873,2.769753 811.3694,2.808807 811.8515,2.404541 812.3336,2.153557 
812.8157,2.334557 813.2979,2.565643 813.7800,2.523849 814.2621,2.268272 
814.7442,2.033531 815.2263,1.918434 815.7084,1.875198 816.1906,1.712814 
816.6727,1.639908 817.1548,2.345116 817.6369,3.703285 818.1190,4.472115 
818.6011,4.076508 819.0833,3.297920 819.5654,3.354851 820.0475,4.303406 
820.5296,4.029144 821.0117,1.519112 821.4938,0.1336520 821.9760,0.4089740 
822.4581,1.655464 822.9402,2.560837 823.4223,3.125565 823.9044,3.410316 
824.3865,3.161018 824.8687,3.025444 825.3508,3.426743 825.8329,3.925430 
826.3150,4.010628 826.7971,3.807289 827.2792,3.897469 827.7614,4.546951 
828.2435,5.015289 828.7256,4.074600 829.2077,2.195122 829.6898,1.048462 
830.1719,0.6488420 830.6541,1.153488 831.1362,2.853973 831.6183,4.674553 
832.1004,5.354851 832.5825,4.905342 833.0646,4.136337 833.5468,2.058052 
834.0289,1.195801 834.5110,3.175735 834.9931,5.169495 835.4752,5.118500 
835.9573,3.715874 836.4395,2.871002 836.9216,3.125481 837.4037,3.620277 
837.8858,4.178505 838.3679,4.596390 838.8500,4.580673 839.3322,4.301552 
839.8143,4.078194 840.2964,3.901649 840.7785,3.719429 841.2606,3.683952 
841.7427,3.778130 842.2249,3.813515 842.7070,3.766243 843.1891,3.716278 
843.6712,3.644943 844.1533,3.549072 844.6354,3.363426 845.1176,3.115746 
845.5997,3.120781 846.0818,3.615868 846.5639,4.032097 847.0460,4.388512 
847.5281,4.578484 848.0103,4.505058 848.4924,4.244621 848.9745,3.785637 
849.4566,3.130318 849.9387,2.877831 850.4208,3.983932 850.9030,5.084648 
851.3851,4.434708 851.8672,2.969200 852.3493,2.667961 852.8314,3.784279 
853.3135,5.093124 853.7957,5.690948 854.2778,5.740601 854.7599,5.548874 
855.2420,5.111694 855.7241,4.644020 856.2062,4.190727 856.6884,3.704926 
857.1705,2.929497 857.6526,2.217438 858.1347,2.349564 858.6168,3.575577 
859.0989,4.474602 859.5811,5.043312 860.0632,5.295418 860.5453,5.279442 
861.0274,4.915100 861.5095,3.761627 861.9916,2.119934 862.4738,1.256363 
862.9559,1.891716 863.4380,2.848251 863.9201,3.693565 864.4022,4.223755 
864.8843,3.982750 865.3665,3.187050 865.8486,2.493011 866.3307,2.185013 
866.8128,2.195915 867.2949,2.604866 867.7770,3.261765 868.2592,3.420479 
868.7413,3.071671 869.2234,2.914032 869.7055,3.209839 870.1876,3.417145 
870.6697,2.909088 871.1519,1.911224 871.6340,1.753296 872.1161,3.234634 
872.5981,4.017990 873.0803,3.348450 873.5624,2.663666 874.0445,2.667168 
874.5266,2.966675 875.0087,2.989525 875.4908,2.654297 875.9730,2.229515 
876.4551,1.525826 876.9372,1.066925 877.4193,1.365265 877.9014,2.001770 
878.3835,2.530510 878.8657,2.818825 879.3478,2.725456 879.8299,2.101440 
880.3120,1.411987 880.7941,1.300446 881.2762,1.647224 881.7584,2.164528 
882.2405,2.799889 882.7226,3.219620 883.2047,3.250984 883.6868,3.209167 
884.1689,3.611671 884.6511,4.422531 885.1332,4.352394 885.6153,3.029655 
886.0974,1.808891 886.5795,0.6553650 887.0616,6.0653999E-02 887.5438,0.7641600 
888.0259,2.339920 888.5080,3.366539 888.9901,3.928383 889.4722,3.778915 
889.9543,2.017082 890.4365,0.4757230 890.9186,0.4145050 891.4007,1.008888 
891.8828,1.102959 892.3649,0.5437090 892.8470,7.8987002E-02 893.3292,0.5753170 
893.8113,0.8120040 894.2934,0.5211180 894.7755,5.9714999E-02 
895.2576,0.7556380 895.7397,1.375610 896.2219,1.110764 896.7040,0.4604030 
897.1861,2.163887 897.6682,1.966003 898.1503,0.1847840 898.6324,0.7883610 
899.1146,0.9540410 899.5967,0.9898070 900.0788,1.105392 900.5609,1.120102 
901.0430,0.7949220 901.5251,0.2246630 902.0073,2.5795000E-02 
902.4894,0.5007320 902.9715,0.7171630 903.4536,0.1903920 
903.9357,8.4518000E-02 904.4178,0.7144850 904.9000,1.827393 905.3821,2.149879 
905.8642,1.558388 906.3463,0.9589610 906.8284,0.5900420 907.3105,0.2334370 
907.7927,0.3527370 908.2748,0.8700870 908.7569,0.9964750 909.2390,0.7584920 
909.7211,0.3061980 910.2032,0.3503040 910.6854,0.8543240 911.1675,0.7738340 
911.6496,0.8652040 912.1317,0.1910250 912.6138,0.1098400 913.0959,0.4074630 
913.5781,1.451408 914.0602,1.958252 914.5423,0.7773740 915.0244,1.432640 
915.5065,2.696533 915.9886,3.012276 916.4708,3.139122 916.9529,3.155174 
917.4350,3.044083 917.9171,2.741394 918.3992,2.414063 918.8813,2.400002 
919.3635,2.788025 919.8456,2.773285 920.3277,1.739723 920.8098,1.322266 
921.2919,2.791687 921.7740,4.150589 922.2562,3.497665 922.7383,1.621735 
923.2204,0.9911120 923.7025,2.427849 924.1846,3.715080 924.6667,4.369942 
925.1489,4.657646 925.6310,4.573967 926.1131,4.303261 926.5952,3.937202 
927.0773,3.575607 927.5594,3.593666 928.0416,4.346634 928.5237,5.310776 
929.0058,6.198936 929.4879,6.889656 929.9700,7.124741 930.4521,6.971596 
930.9343,6.764297 931.4164,6.641579 931.8985,6.408524 932.3806,5.769844 
932.8627,4.867645 933.3448,4.010391 933.8270,3.247383 934.3091,3.324455 
934.7912,4.458183 935.2733,5.391335 935.7554,5.130547 936.2375,4.316345 
936.7197,4.699669 937.2018,6.743828 937.6839,7.240379 938.1660,5.663933 
938.6481,3.791847 939.1302,1.666351 939.6124,0.1411820 940.0945,0.4200060 
940.5766,2.254616 941.0587,3.314552 941.5408,3.043358 942.0229,2.883377 
942.5051,2.926262 942.9872,3.064430 943.4693,3.685242 943.9514,4.138214 
944.4335,3.111580 944.9156,0.5524140 945.3978,0.9060440 945.8799,0.4848630 
946.3620,2.098602 946.8441,2.827194 947.3262,2.942024 947.8083,2.485931 
948.2905,1.696251 948.7726,1.034271 949.2547,0.6756670 949.7368,0.5744170 
950.2189,0.8838350 950.7010,1.262207 951.1832,1.311958 951.6653,1.072647 
952.1474,0.4594570 952.6295,0.3956220 953.1116,0.7018130 953.5938,0.1260910 
954.0759,1.183487 954.5580,0.5436550 955.0400,1.374657 955.5222,1.700073 
956.0043,0.2837750 956.4864,0.6645510 956.9685,0.3391270 957.4506,0.1027760 
957.9327,1.450417 958.4149,3.782478 958.8970,4.358055 959.3791,2.729240 
959.8612,1.531593 960.3433,0.9966200 960.8254,0.8666230 961.3076,1.122963 
961.7897,1.575859 962.2718,1.985367 962.7539,2.317108 963.2360,2.985687 
963.7181,4.927505 964.2003,5.740654 964.6824,3.930389 965.1645,2.309906 
965.6466,2.537483 966.1287,3.845009 966.6108,5.023651 967.0930,6.014725 
967.5751,6.629196 968.0572,6.399361 968.5393,6.309425 969.0214,7.012520 
969.5035,7.809166 969.9857,7.843681 970.4678,7.431892 970.9499,7.560616 
971.4320,8.604515 971.9141,9.466064 972.3962,9.110413 972.8784,8.851204 
973.3605,10.13031 973.8426,12.05916 974.3247,13.02837 974.8068,13.04356 
975.2889,13.53390 975.7711,15.45442 976.2532,17.15231 976.7353,16.20196 
977.2174,14.05629 977.6995,13.46632 978.1816,14.13755 978.6638,14.51118 
979.1459,14.19747 979.6280,13.98947 980.1101,14.56226 980.5922,15.52538 
981.0743,16.10383 981.5565,16.33639 982.0386,16.34716 982.5207,16.16194 
983.0028,16.35604 983.4849,17.18465 983.9670,18.15059 984.4492,18.73093 
984.9313,18.96360 985.4134,19.08587 985.8955,19.15856 986.3776,18.50473 
986.8597,16.78645 987.3419,15.30940 987.8240,14.58740 988.3061,14.69424 
988.7882,16.04814 989.2703,18.62876 989.7524,19.33334 990.2346,16.93377 
990.7167,15.41386 991.1988,15.87811 991.6809,16.42010 992.1630,15.83430 
992.6451,14.71555 993.1273,14.12884 993.6094,14.14899 994.0915,14.15572 
994.5736,14.20692 995.0557,14.15310 995.5378,13.86585 996.0200,13.56322 
996.5021,13.57348 996.9842,13.61861 997.4663,13.01546 997.9484,11.53609 
998.4305,10.47091 998.9127,10.25802 999.3948,10.37904 999.8769,11.00035 
1000.359,11.54526 1000.841,11.30478 1001.323,10.55971 1001.805,10.20514 
1002.287,10.57622 1002.770,10.73016 1003.252,9.732330 1003.734,8.824638 
1004.216,9.147072 1004.698,9.841728 1005.180,9.601212 1005.662,8.560219 
1006.144,7.817818 1006.627,7.865929 1007.109,8.137398 1007.591,8.026917 
1008.073,7.998535 1008.555,8.770950 1009.037,9.982811 1009.519,11.03477 
1010.001,11.73866 1010.483,11.88196 1010.966,11.26558 1011.448,10.63449 
1011.930,11.12226 1012.412,10.54198 1012.894,11.65561 1013.376,10.45291 
1013.858,10.10975 1014.340,10.86265 1014.823,11.66924 1015.305,11.80135 
1015.787,11.60462 1016.269,11.63480 1016.751,11.82408 1017.233,11.95683 
1017.715,12.00921 1018.197,11.70572 1018.679,10.99204 1019.162,10.84023 
1019.644,12.16579 1020.126,14.14076 1020.608,14.87931 1021.090,14.45705 
1021.572,13.88213 1022.054,13.17789 1022.536,12.47549 1023.018,11.80021 
1023.501,11.54263 1023.983,12.12248 1024.465,13.23931 1024.947,13.95095 
1025.429,14.22489 1025.911,14.45838 1026.393,14.69344 1026.875,14.67381 
1027.358,14.18358 1027.840,13.81838 1028.322,14.24248 1028.804,14.08827 
1029.286,14.35722 1029.768,14.92113 1030.250,14.95793 1030.732,16.21692 
1031.214,16.77710 1031.697,15.49200 1032.179,13.74223 1032.661,12.89632 
1033.143,12.88692 1033.625,13.43438 1034.107,14.96702 1034.589,15.95314 
1035.071,16.00059 1035.553,16.29456 1036.036,17.52047 1036.518,18.59779 
1037.000,18.35280 1037.482,17.04279 1037.964,16.01284 1038.446,15.05744 
1038.928,14.73150 1039.410,15.56913 1039.893,16.32282 1040.375,16.16100 
1040.857,16.06471 1041.339,17.43920 1041.821,19.85014 1042.303,20.86816 
1042.785,19.61044 1043.267,18.66925 1043.750,17.96999 1044.232,17.68713 
1044.714,18.26783 1045.196,18.99529 1045.678,19.14678 1046.160,18.81525 
1046.642,18.54604 1047.124,18.40860 1047.606,18.29040 1048.089,18.40035 
1048.571,18.25345 1049.053,17.53220 1049.535,16.56100 1050.017,15.39600 
1050.499,14.25711 1050.981,13.92284 1051.463,15.02390 1051.945,15.68532 
1052.428,15.04996 1052.910,14.45764 1053.392,15.02097 1053.874,15.52242 
1054.356,14.32162 1054.838,11.95504 1055.320,10.60679 1055.802,11.06848 
1056.285,11.32263 1056.767,10.54850 1057.249,9.735504 1057.731,9.257751 
1058.213,9.059906 1058.695,9.427483 1059.177,9.971802 1059.659,9.416107 
1060.141,7.044716 1060.624,5.600632 1061.106,7.134796 1061.588,8.492210 
1062.070,7.860092 1062.552,6.434807 1063.034,5.235847 1063.516,4.364311 
1063.998,3.688667 1064.480,3.165245 1064.963,2.911903 1065.445,3.061516 
1065.927,3.387268 1066.409,4.093643 1066.891,4.651947 1067.373,4.432915 
1067.855,3.670372 1068.337,3.013969 1068.820,2.630127 1069.302,2.119446 
1069.784,0.9400560 1070.266,5.5229001E-02 1070.748,4.9125999E-02 
1071.230,0.3821640 1071.712,1.614120 1072.194,3.031311 1072.677,3.246162 
1073.159,1.995064 1073.641,1.238686 1074.123,2.491913 1074.605,3.602158 
1075.087,3.456856 1075.569,2.712585 1076.051,1.453758 1076.533,0.2320790 
1077.016,0.1841810 1077.498,1.375244 1077.980,1.985855 1078.462,0.6297990 
1078.944,0.5685960 1079.426,0.7723010 1079.908,0.2261580 1080.390,1.642784 
1080.872,3.731186 1081.354,4.193871 1081.837,2.964554 1082.319,1.870445 
1082.801,1.727005 1083.283,1.586464 1083.765,0.6249690 1084.247,9.3673997E-02 
1084.729,0.7516100 1085.211,1.993233 1085.694,1.814316 1086.176,0.3301160 
1086.658,0.7017590 1087.140,0.4710460 1087.622,0.4026720 1088.104,1.786865 
1088.586,2.756889 1089.068,1.633331 1089.551,0.2123790 1090.033,1.220055 
1090.515,1.410408 1090.997,1.572594 1091.479,2.039680 1091.961,1.929253 
1092.443,4.0192001E-02 1092.925,1.451843 1093.407,0.9102330 1093.890,0.1646500 
1094.372,0.2091220 1094.854,0.4477080 1095.336,0.6403580 
1095.818,7.7193998E-02 1096.300,0.4086150 1096.782,0.4599990 
1097.264,0.5106810 1097.746,0.7632450 1098.229,1.053375 1098.711,1.452042 
1099.193,1.708366 1099.675,1.176643 1100.157,0.2275700 1100.639,0.9587480 
1101.121,7.2402999E-02 1101.603,0.7314380 1102.086,1.022713 1102.568,1.065865 
1103.050,0.7021030 1103.532,0.3809430 1104.014,0.9551470 1104.496,2.330353 
1104.978,2.968758 1105.460,2.141548 1105.943,1.359818 1106.425,0.8048100 
1106.907,0.4061740 1107.389,0.2629930 1107.871,0.4970090 1108.353,1.005150 
1108.835,3.701912 1109.317,4.985046 1109.799,4.116066 1110.281,3.190681 
1110.764,1.836227 1111.246,1.135330 1111.728,2.238243 1112.210,3.332901 
1112.692,2.491043 1113.174,0.6473390 1113.656,0.3239750 1114.138,1.928337 
1114.621,3.172783 1115.103,4.159309 1115.585,4.592812 1116.067,4.010788 
1116.549,3.414337 1117.031,3.397331 1117.513,3.740273 1117.995,4.035423 
1118.478,4.255325 1118.960,4.673912 1119.442,5.659576 1119.924,5.955421 
1120.406,4.939850 1120.888,4.225746 1121.370,4.594444 1121.852,5.459885 
1122.334,6.253105 1122.817,6.932922 1123.299,7.246124 1123.781,7.115738 
1124.263,6.729805 1124.745,5.835930 1125.227,5.774544 1125.709,7.213737 
1126.191,8.762909 1126.673,9.373505 1127.156,9.280457 1127.638,8.603912 
1128.120,7.219330 1128.602,7.527023 1129.084,9.778221 1129.566,11.12164 
1130.048,10.85110 1130.530,11.05820 1131.013,13.13048 1131.495,15.32684 
1131.977,14.88386 1132.459,12.42293 1132.941,10.86150 1133.423,10.16973 
1133.905,10.22350 1134.387,10.97199 1134.870,11.83681 1135.352,12.59042 
1135.834,12.94422 1136.316,12.48693 1136.798,11.74310 1137.280,12.12548 
1137.762,13.21660 1138.244,13.32330 1138.726,12.53883 1139.208,11.72143 
1139.691,11.10325 1140.173,11.00923 1140.655,11.65916 1141.137,12.65749 
1141.619,13.86465 1142.101,14.83453 1142.583,14.44295 1143.065,13.29240 
1143.548,12.86566 1144.030,13.14630 1144.512,12.82573 1144.994,11.55581 
1145.476,10.62329 1145.958,11.49391 1146.440,12.51239 1146.922,11.71055 
1147.405,10.35858 1147.887,9.820908 1148.369,10.06614 1148.851,11.09255 
1149.333,12.59840 1149.815,13.08472 1150.297,11.42026 1150.779,9.704826 
1151.261,9.520935 1151.744,9.625412 1152.226,8.973579 1152.708,8.073441 
1153.190,7.730118 1153.672,7.792702 1154.154,7.368706 1154.636,6.125206 
1155.118,5.355598 1155.600,5.892456 1156.083,6.350639 1156.565,5.851418 
1157.047,5.518944 1157.529,6.928734 1158.011,8.620071 1158.493,7.770370 
1158.975,4.391769 1159.457,2.453842 1159.940,2.945847 1160.422,3.656082 
1160.904,5.124336 1161.386,5.889366 1161.868,4.926346 1162.350,3.696457 
1162.832,3.619705 1163.314,4.266678 1163.796,4.302925 1164.279,3.505127 
1164.761,3.172600 1165.243,3.624550 1165.725,3.621872 1166.207,2.779312 
1166.689,2.080231 1167.171,2.102180 1167.653,2.679497 1168.135,3.786835 
1168.618,5.160187 1169.100,5.070717 1169.582,3.543526 1170.064,2.177971 
1170.546,1.107788 1171.028,0.7378620 1171.510,1.328178 1171.992,2.040031 
1172.474,2.218468 1172.957,2.015663 1173.439,1.605461 1173.921,1.056175 
1174.403,0.4295430 1174.885,0.1455000 1175.367,9.9509999E-02 
1175.849,0.4971010 1176.331,0.7942960 1176.814,0.4408870 1177.296,0.1929700 
1177.778,0.8566740 1178.260,1.783714 1178.742,2.502129 1179.224,2.807510 
1179.706,2.107109 1180.188,0.8966140 1180.671,2.6954999E-02 1181.153,0.2612150 
1181.635,0.2306980 1182.117,1.958252 1182.599,3.146866 1183.081,2.654846 
1183.563,1.545448 1184.045,0.3750230 1184.527,1.853355 1185.010,1.230629 
1185.492,0.6570660 1185.974,1.699333 1186.456,1.555145 1186.938,1.631554 
1187.420,2.591805 1187.902,3.119545 1188.384,2.533279 1188.866,2.064392 
1189.349,2.556709 1189.831,3.106789 1190.313,2.578209 1190.795,2.826363 
1191.277,2.773636 1191.759,2.208656 1192.241,2.481750 1192.723,1.615395 
1193.206,1.053528 1193.688,1.145493 1194.170,1.404312 1194.652,1.604683 
1195.134,1.584038 1195.616,0.9894180 1196.098,1.387161 1196.580,0.3362270 
1197.063,1.535141 1197.545,2.027184 1198.027,1.740852 1198.509,1.177460 
1198.991,0.5317540 1199.473,0.2966690 1199.955,0.8772510 1200.437,1.503639 
1200.919,0.7237400 1201.401,0.3719250 1201.884,0.6811980 1202.366,2.591591 
1202.848,2.550659 1203.330,0.9388200 1203.812,0.1818920 1204.294,0.1912160 
1204.776,0.2705920 1205.258,1.042969 1205.741,1.762192 1206.223,2.178497 
1206.705,2.464790 1207.187,2.890717 1207.669,3.167297 1208.151,2.685051 
1208.633,1.753914 1209.115,1.446335 1209.598,2.033302 1210.080,2.694893 
1210.562,3.889595 1211.044,4.290733 1211.526,2.716293 1212.008,1.445190 
1212.490,1.772514 1212.972,2.658516 1213.454,2.812271 1213.937,3.565735 
1214.419,2.978203 1214.901,4.614960 1215.383,5.472664 1215.865,5.469086 
1216.347,5.008484 1216.829,4.081360 1217.311,3.766068 1217.793,4.722122 
1218.276,5.633865 1218.758,4.456345 1219.240,4.872124 1219.722,2.047279 
1220.204,3.214394 1220.686,2.223236 1221.168,0.3425750 1221.650,1.046844 
1222.133,0.6913530 1222.615,2.852013 1223.097,4.430893 1223.579,4.939560 
1224.061,2.876869 1224.543,0.6552350 1225.025,0.9157640 1225.507,2.148430 
1225.990,2.948227 1226.472,3.073128 1226.954,1.961151 1227.436,0.1726150 
1227.918,0.7668000 1228.400,1.993645 1228.882,3.934074 1229.364,3.637474 
1229.846,2.913589 1230.328,2.060120 1230.811,1.478912 1231.293,1.229584 
1231.775,1.368607 1232.257,1.955002 1232.739,2.970467 1233.221,3.503967 
1233.703,3.682571 1234.185,3.533966 1234.668,2.819382 1235.150,2.494553 
1235.632,3.567650 1236.114,4.431129 1236.596,3.975121 1237.078,2.977997 
1237.560,2.771614 1238.042,3.142052 1238.525,3.561424 1239.007,3.905930 
1239.489,3.617378 1239.971,2.875809 1240.453,2.314392 1240.935,2.154961 
1241.417,2.599129 1241.899,3.979332 1242.381,4.904961 1242.864,3.977951 
1243.346,2.584839 1243.828,1.782799 1244.310,1.618660 1244.792,2.347260 
1245.274,3.744888 1245.756,5.013618 1246.238,5.978226 1246.720,6.088799 
1247.203,4.377533 1247.685,3.251617 1248.167,3.195084 1248.649,3.241165 
1249.131,3.155205 1249.613,2.994812 1250.095,2.663200 1250.577,2.506897 
1251.059,3.386963 1251.542,3.163765 1252.024,3.431038 1252.506,3.965950 
1252.988,3.808006 1253.470,4.697159 1253.952,5.208603 1254.434,4.519165 
1254.916,3.648697 1255.399,3.405106 1255.881,3.286842 1256.363,2.296577 
1256.845,1.120514 1257.327,1.008163 1257.809,1.434982 1258.291,2.130241 
1258.773,2.803223 1259.255,2.865784 1259.738,2.263611 1260.220,1.551697 
1260.702,0.6477660 1261.184,0.4221040 1261.666,1.919525 1262.148,3.122002 
1262.630,3.128120 1263.112,2.664795 1263.594,2.047913 1264.077,1.461174 
1264.559,1.183876 1265.041,1.185104 1265.523,1.222229 1266.005,1.273125 
1266.487,1.473297 1266.969,1.849968 1267.451,2.116127 1267.934,2.198494 
1268.416,2.415840 1268.898,2.972542 1269.380,3.258919 1269.862,2.307068 
1270.344,2.735962 1270.826,1.351715 1271.308,2.425423 1271.791,2.635391 
1272.273,2.276741 1272.755,2.362335 1273.237,2.781311 1273.719,2.370308 
1274.201,0.6178130 1274.683,0.5105210 1275.165,0.1479490 1275.647,1.180656 
1276.130,2.612328 1276.612,3.623047 1277.094,3.546707 1277.576,2.959213 
1278.058,2.225586 1278.540,1.592682 1279.022,1.820152 1279.504,2.991982 
1279.986,3.557549 1280.469,4.238441 1280.951,4.351845 1281.433,3.800453 
1281.915,3.162254 1282.397,2.635735 1282.879,1.995644 1283.361,0.8955230 
1283.843,1.2947000E-02 1284.326,3.7742998E-02 1284.808,0.0000000E+00 
##MOLFORM=Fe6 H17 O27 P4
##RESOLUTION=4
##PRESSURE=100
##TEMPERATURE=26.85
##END=
