##TITLE=1000647
##JCAMP-DX=4.24
##DATA TYPE=RAMAN SPECTRUM
##SOURCE REFERENCE=http://solsa.crystallography.net/rod/1000647.rod
##OWNER=PUBLIC DOMAIN
##XUNITS=1/CM
##YUNITS=ARBITRARY UNITS
##FIRSTX=171.5908
##LASTX=1271.781
##XFACTOR=1
##YFACTOR=1
##NPOINTS=2283
##FIRSTY=0.0000000E+00
##LASTY=0.0000000E+00
##XYPOINTS=(XY..XY)
171.5908,0.0000000E+00 172.0729,0.1734090 172.5550,9.0220002E-03 
173.0371,0.1087680 173.5193,0.4862750 174.0014,0.4460180 
174.4835,3.5831001E-02 174.9656,0.1411710 175.4477,0.1722950 
175.9298,0.6381950 176.4120,0.9620780 176.8941,1.020432 177.3762,0.9076920 
177.8583,0.8788410 178.3404,0.9178240 178.8225,1.082344 179.3047,1.519081 
179.7868,2.031925 180.2689,2.381332 180.7510,2.436401 181.2331,2.277168 
181.7152,2.261982 182.1974,2.632656 182.6795,2.872894 183.1616,2.785583 
183.6437,2.518673 184.1258,2.340351 184.6079,2.414951 185.0900,2.691441 
185.5722,2.837887 186.0543,2.743744 186.5364,2.667446 187.0185,2.776352 
187.5006,2.998447 187.9827,3.092587 188.4649,2.868664 188.9470,2.406902 
189.4291,2.114746 189.9112,2.021408 190.3933,2.055870 190.8754,2.230759 
191.3576,2.535343 191.8397,2.814911 192.3218,2.968407 192.8039,3.030807 
193.2860,3.093430 193.7681,3.165203 194.2503,3.240318 194.7324,3.321026 
195.2145,3.412273 195.6966,3.478825 196.1787,3.463615 196.6608,3.420620 
197.1430,3.407276 197.6251,3.422543 198.1072,3.493137 198.5893,3.698601 
199.0714,4.119843 199.5535,4.463898 200.0357,4.505535 200.5178,4.439354 
200.9999,4.518875 201.4820,4.916302 201.9641,5.458939 202.4462,5.632206 
202.9284,5.167084 203.4105,4.768055 203.8926,4.698750 204.3747,4.784595 
204.8568,4.815022 205.3389,4.677010 205.8211,4.394905 206.3032,4.075901 
206.7853,3.628464 207.2674,3.257420 207.7495,2.988068 208.2316,2.817650 
208.7138,2.767555 209.1959,2.867672 209.6780,3.076366 210.1601,3.082027 
210.6422,2.539753 211.1243,2.149429 211.6065,2.157433 212.0886,2.386677 
212.5707,2.529900 213.0528,2.382397 213.5349,1.983879 214.0170,1.723316 
214.4992,1.582752 214.9813,1.580654 215.4634,1.871677 215.9455,2.310875 
216.4276,2.587929 216.9097,2.477089 217.3919,2.038654 217.8740,1.851933 
218.3561,2.084564 218.8382,2.332561 219.3203,2.408970 219.8024,2.370308 
220.2845,2.401779 220.7667,2.636280 221.2488,3.027546 221.7309,3.301460 
222.2130,3.283730 222.6951,3.328220 223.1772,3.692696 223.6594,4.308674 
224.1415,4.850929 224.6236,5.145317 225.1057,5.213493 225.5878,5.204800 
226.0699,4.979996 226.5521,4.834194 227.0342,5.056210 227.5163,5.614307 
227.9984,6.086498 228.4805,6.268845 228.9626,6.248844 229.4448,6.214893 
229.9269,6.185787 230.4090,6.181213 230.8911,6.262974 231.3732,6.425934 
231.8553,6.608246 232.3375,6.862904 232.8196,7.048454 233.3017,7.014141 
233.7838,6.688736 234.2659,6.256889 234.7480,5.930191 235.2302,5.685932 
235.7123,5.465492 236.1944,5.281475 236.6765,5.112320 237.1586,4.956757 
237.6407,4.824993 238.1229,4.629967 238.6050,4.175652 239.0871,3.366047 
239.5692,2.808754 240.0513,2.912445 240.5334,3.212193 241.0156,3.391766 
241.4977,3.354256 241.9798,3.240932 242.4619,3.279087 242.9440,3.553074 
243.4261,3.764202 243.9083,3.718281 244.3904,3.622665 244.8725,3.641254 
245.3546,3.813583 245.8367,4.049217 246.3188,4.254269 246.8010,4.479893 
247.2831,4.544079 247.7652,4.206078 248.2473,3.855995 248.7294,3.760487 
249.2115,3.944298 249.6937,4.222115 250.1758,4.337143 250.6579,4.201653 
251.1400,4.141956 251.6221,4.223896 252.1042,4.322441 252.5864,4.347923 
253.0685,4.302341 253.5506,4.268944 254.0327,4.377407 254.5148,4.729664 
254.9969,4.885109 255.4790,4.673058 255.9612,4.437771 256.4433,4.332916 
256.9254,4.378738 257.4075,4.536697 257.8896,4.796112 258.3718,5.240517 
258.8539,5.393810 259.3360,5.049549 259.8181,4.660480 260.3002,4.456062 
260.7823,4.432228 261.2645,4.452793 261.7466,4.390305 262.2287,4.230202 
262.7108,4.093796 263.1929,3.935299 263.6750,3.835262 264.1572,3.880756 
264.6393,4.032078 265.1214,4.156872 265.6035,4.148670 266.0856,4.003143 
266.5677,3.837589 267.0499,3.593040 267.5320,3.388321 268.0141,3.315689 
268.4962,3.332630 268.9783,3.308472 269.4604,3.146366 269.9426,2.860500 
270.4247,2.642654 270.9068,2.468315 271.3889,2.367405 271.8710,2.383636 
272.3531,2.484398 272.8352,2.597878 273.3174,2.688633 273.7995,2.755821 
274.2816,2.792938 274.7637,2.850601 275.2458,2.831776 275.7279,2.670746 
276.2101,2.412537 276.6922,2.133156 277.1743,1.848831 277.6564,1.597679 
278.1385,1.514816 278.6206,1.702801 279.1028,1.830551 279.5849,1.788898 
280.0670,1.628288 280.5491,1.426140 281.0312,1.202049 281.5133,0.9707220 
281.9955,0.7378920 282.4776,0.4520030 282.9597,0.1721420 283.4418,0.3339080 
283.9239,0.4127920 284.4060,0.4132420 284.8882,0.1008530 285.3703,0.1918410 
285.8524,0.1208080 286.3345,4.2824000E-02 286.8166,0.1897280 
287.2987,7.8631997E-02 287.7809,6.4110003E-02 288.2630,4.2376999E-02 
288.7451,9.5531002E-02 289.2272,1.4328000E-02 289.7093,7.4211001E-02 
290.1914,2.8416000E-02 290.6736,4.0633999E-02 291.1557,8.9103997E-02 
291.6378,3.2889999E-02 292.1199,0.3098300 292.6020,0.1283110 
293.0841,3.0251000E-02 293.5663,5.6968998E-02 294.0484,0.1861380 
294.5305,0.2892950 295.0126,0.3545910 295.4947,0.3887750 295.9768,0.3718450 
296.4590,0.3074070 296.9411,0.2905810 297.4232,0.4419210 297.9053,0.6690100 
298.3874,0.6941450 298.8695,0.2987900 299.3517,6.5632001E-02 
299.8338,3.7482999E-02 300.3159,0.5285990 300.7980,0.8468780 
301.2801,0.6698490 301.7622,0.2064700 302.2444,0.1007650 302.7265,0.2414250 
303.2086,0.2626570 303.6907,0.1112330 304.1728,0.1563870 304.6549,0.3328290 
305.1371,0.3441660 305.6192,0.2428820 306.1013,8.7302998E-02 
306.5834,0.1346970 307.0655,0.3102340 307.5476,0.3639450 308.0298,0.3377490 
308.5119,0.3358920 308.9940,0.3931470 309.4761,0.4441150 309.9582,0.4068980 
310.4403,0.2937620 310.9225,0.1626700 311.4046,7.4955001E-02 
311.8867,0.2850910 312.3688,0.1979900 312.8509,0.2634890 313.3330,0.7480890 
313.8152,0.9402120 314.2973,0.9064940 314.7794,0.8374400 315.2615,0.7624660 
315.7436,0.6737590 316.2257,0.5454980 316.7079,0.3747290 317.1900,0.2342680 
317.6721,0.1670990 318.1542,0.1671260 318.6363,0.2090490 319.1184,0.3085820 
319.6006,0.4285130 320.0827,0.5488360 320.5648,0.6683350 321.0469,0.7793500 
321.5290,0.8868520 322.0111,0.9754750 322.4933,1.028015 322.9754,1.047245 
323.4575,1.025513 323.9396,0.8445930 324.4217,0.6043050 324.9038,0.6773380 
325.3860,1.301689 325.8681,2.020084 326.3502,2.128414 326.8323,1.633648 
327.3144,1.242905 327.7965,1.356709 328.2787,1.694347 328.7608,1.728531 
329.2429,1.325180 329.7250,0.8866000 330.2071,0.8667410 330.6892,1.189388 
331.1714,1.426205 331.6535,1.408989 332.1356,1.323444 332.6177,1.368484 
333.0998,1.554226 333.5819,1.763275 334.0641,1.894150 334.5462,1.990669 
335.0283,2.213345 335.5104,2.703094 335.9925,3.186047 336.4746,3.481014 
336.9568,3.612621 337.4389,3.682495 337.9210,3.729832 338.4031,3.749035 
338.8852,3.715839 339.3673,3.577930 339.8495,3.513844 340.3316,3.594856 
340.8137,3.793655 341.2958,4.112843 341.7779,4.578552 342.2600,5.044350 
342.7421,5.243191 343.2242,5.149208 343.7064,5.165497 344.1885,5.616402 
344.6706,6.097729 345.1527,5.971924 345.6348,5.179474 346.1169,4.459370 
346.5991,4.569672 347.0812,5.558990 347.5633,6.228092 348.0454,6.381733 
348.5275,6.394371 349.0096,6.478550 349.4918,6.646301 349.9739,6.815113 
350.4560,6.985294 350.9381,7.146671 351.4202,7.269543 351.9023,7.324455 
352.3845,7.368225 352.8666,7.392250 353.3487,7.425076 353.8308,7.544815 
354.3129,7.796059 354.7950,8.074539 355.2772,8.162308 355.7593,7.959457 
356.2414,7.782181 356.7235,7.690742 357.2056,7.655830 357.6877,7.610100 
358.1699,7.526245 358.6520,7.468704 359.1341,7.535294 359.6162,7.770737 
360.0983,8.006569 360.5804,8.334293 361.0626,8.557278 361.5447,8.452713 
362.0268,8.112457 362.5089,7.889626 362.9910,8.058289 363.4731,8.568619 
363.9553,8.889969 364.4374,8.821854 364.9195,8.813377 365.4016,8.993988 
365.8837,9.275715 366.3658,9.570667 366.8480,9.842384 367.3301,10.02988 
367.8122,9.982727 368.2943,9.349644 368.7764,9.034618 369.2585,9.225353 
369.7407,9.561821 370.2228,9.813374 370.7049,9.946411 371.1870,10.03386 
371.6691,10.17819 372.1512,10.39808 372.6334,10.55524 373.1155,10.51575 
373.5976,10.54808 374.0797,10.84332 374.5618,11.28643 375.0439,11.61295 
375.5261,11.62785 376.0082,11.41867 376.4903,11.43581 376.9724,11.82448 
377.4545,12.25230 377.9366,12.76168 378.4188,13.23517 378.9009,13.53442 
379.3830,13.61608 379.8651,13.59167 380.3472,13.62277 380.8293,13.70608 
381.3115,13.85896 381.7936,14.17429 382.2757,14.48511 382.7578,14.72521 
383.2399,14.88182 383.7220,14.95508 384.2042,14.91101 384.6863,14.76186 
385.1684,14.71147 385.6505,14.92631 386.1326,14.99364 386.6147,14.61237 
387.0969,14.02142 387.5790,13.62234 388.0611,13.64227 388.5432,13.85726 
389.0253,13.83137 389.5074,13.52418 389.9896,13.16682 390.4717,12.77698 
390.9538,12.40219 391.4359,12.08059 391.9180,11.82003 392.4001,11.61910 
392.8823,11.49610 393.3644,11.43986 393.8465,11.38151 394.3286,11.34414 
394.8107,11.23289 395.2928,10.91465 395.7750,10.45261 396.2571,10.07294 
396.7392,9.882046 397.2213,9.800827 397.7034,9.748554 398.1855,9.736965 
398.6677,9.670525 399.1498,9.489063 399.6319,9.198250 400.1140,8.826248 
400.5961,8.302948 401.0782,7.841530 401.5604,7.610439 402.0425,7.539696 
402.5246,7.425896 403.0067,7.208603 403.4888,6.918186 403.9709,6.592949 
404.4531,6.227787 404.9352,5.868320 405.4173,5.457985 405.8994,5.095112 
406.3815,4.935234 406.8636,4.968594 407.3458,4.976017 407.8279,4.779907 
408.3100,4.389915 408.7921,4.019360 409.2742,3.554279 409.7563,3.229511 
410.2385,3.239033 410.7206,3.433411 411.2027,3.546856 411.6848,3.466412 
412.1669,3.267082 412.6490,3.098751 413.1311,2.957462 413.6133,2.862675 
414.0954,2.929932 414.5775,2.958668 415.0596,2.722515 415.5417,2.256851 
416.0238,1.845959 416.5060,1.780552 416.9881,2.074215 417.4702,2.185097 
417.9523,1.798218 418.4344,1.566536 418.9165,1.794529 419.3987,2.230450 
419.8808,2.501991 420.3629,2.435493 420.8450,2.171814 421.3271,2.008495 
421.8092,2.000530 422.2914,1.955608 422.7735,1.768784 423.2556,1.604187 
423.7377,1.601097 424.2198,1.744534 424.7019,1.874603 425.1841,1.772667 
425.6662,1.483509 426.1483,1.541840 426.6304,2.220051 427.1125,2.801910 
427.5946,2.898605 428.0768,2.721443 428.5589,2.581249 429.0410,2.606129 
429.5231,2.662724 430.0052,2.541782 430.4873,2.237461 430.9695,2.029007 
431.4516,2.019127 431.9337,2.128151 432.4158,2.254734 432.8979,2.398640 
433.3800,2.581284 433.8622,2.912724 434.3443,3.261124 434.8264,3.359859 
435.3085,3.161381 435.7906,2.895058 436.2727,2.693687 436.7549,2.565033 
437.2370,2.514645 437.7191,2.730179 438.2012,2.831993 438.6833,2.417728 
439.1654,1.731705 439.6476,1.450981 440.1297,1.883423 440.6118,2.576645 
441.0939,2.739613 441.5760,2.130772 442.0581,1.641144 442.5403,1.364128 
443.0224,1.181263 443.5045,1.058014 443.9866,0.9580080 444.4687,0.7689400 
444.9508,0.3740840 445.4330,0.1861650 445.9151,0.4727130 446.3972,0.2444150 
446.8793,2.1111000E-02 447.3614,0.1772160 447.8435,0.3066330 
448.3257,0.2949830 448.8078,0.1301040 449.2899,8.7765001E-02 
449.7720,0.1988180 450.2541,0.1468580 450.7362,0.1829220 451.2184,0.4404300 
451.7005,0.6625100 452.1826,0.6808780 452.6647,0.5787540 453.1468,0.5869260 
453.6289,0.9021070 454.1111,1.350220 454.5932,1.406891 455.0753,0.9185030 
455.5574,0.5033760 456.0395,0.4787250 456.5216,0.5478900 457.0038,0.4587400 
457.4859,0.1740610 457.9680,0.1046560 458.4501,0.2204630 458.9322,0.2043420 
459.4143,0.1444090 459.8965,1.1833000E-02 460.3786,5.6258999E-02 
460.8607,8.4881000E-02 461.3428,0.3777920 461.8249,0.6883740 
462.3070,0.9948430 462.7892,1.310543 463.2713,1.711349 463.7534,2.145489 
464.2355,2.385315 464.7176,2.308311 465.1997,2.096283 465.6819,2.077332 
466.1640,2.322121 466.6461,2.476341 467.1282,2.362682 467.6103,2.242783 
468.0924,2.348103 468.5746,2.670357 469.0567,3.069912 469.5388,3.462826 
470.0209,3.831520 470.5030,4.057728 470.9851,3.785660 471.4673,3.809109 
471.9494,4.548847 472.4315,5.450592 472.9136,5.908798 473.3957,5.800323 
473.8778,5.510838 474.3600,5.511982 474.8421,5.848759 475.3242,6.142788 
475.8063,6.389587 476.2884,6.594173 476.7705,6.696079 477.2527,6.770645 
477.7348,6.950016 478.2169,7.308418 478.6990,7.746780 479.1811,8.098743 
479.6632,8.355541 480.1454,8.600201 480.6275,8.758797 481.1096,9.009956 
481.5917,9.565472 482.0738,10.38738 482.5559,11.12761 483.0380,11.58421 
483.5201,11.87534 484.0023,12.17659 484.4844,12.49514 484.9665,12.80135 
485.4486,13.05189 485.9307,13.29472 486.4128,13.64735 486.8950,14.10731 
487.3771,14.66833 487.8592,15.33323 488.3413,16.09535 488.8234,16.99991 
489.3055,18.04611 489.7877,19.06073 490.2698,19.84775 490.7519,20.39017 
491.2340,21.09680 491.7161,21.99786 492.1982,23.00263 492.6804,24.17935 
493.1625,25.41548 493.6446,26.54776 494.1267,27.52044 494.6088,28.42044 
495.0909,29.36758 495.5731,30.33690 496.0552,31.43421 496.5373,32.74141 
497.0194,34.10508 497.5015,35.53588 497.9836,36.96928 498.4658,38.25907 
498.9479,39.27314 499.4300,40.19852 499.9121,41.47834 500.3942,43.18744 
500.8763,44.73403 501.3585,45.81888 501.8406,46.78375 502.3227,47.97091 
502.8048,49.38007 503.2869,50.76663 503.7690,51.93827 504.2512,53.08180 
504.7333,54.44798 505.2154,56.07396 505.6975,57.60464 506.1796,58.82338 
506.6617,59.81174 507.1439,60.85520 507.6260,62.06949 508.1081,63.16067 
508.5902,64.04469 509.0723,64.75272 509.5544,65.24781 510.0366,65.56921 
510.5187,65.98015 511.0008,66.76037 511.4829,67.89651 511.9650,68.66458 
512.4471,68.99245 512.9293,69.10372 513.4114,68.83643 513.8935,68.42744 
514.3756,68.21865 514.8577,68.30198 515.3398,68.38539 515.8220,68.05403 
516.3041,67.25148 516.7862,66.43958 517.2683,65.71497 517.7504,64.91437 
518.2325,63.97419 518.7147,62.90708 519.1968,61.73948 519.6789,60.46898 
520.1610,59.17079 520.6431,57.92952 521.1252,56.72207 521.6074,55.45586 
522.0895,54.08680 522.5716,52.74298 523.0537,51.57367 523.5358,50.55656 
524.0179,49.58123 524.5001,48.75796 524.9822,47.85934 525.4643,46.63314 
525.9464,45.18395 526.4285,43.84101 526.9106,42.74168 527.3928,41.79204 
527.8749,40.82064 528.3570,39.79973 528.8391,38.80053 529.3212,37.81545 
529.8033,36.85886 530.2855,36.01678 530.7676,35.19921 531.2497,34.19250 
531.7318,32.85174 532.2139,31.32972 532.6960,30.04593 533.1782,29.11142 
533.6603,28.09369 534.1424,26.72163 534.6245,25.40855 535.1066,24.45322 
535.5887,23.80967 536.0709,23.16417 536.5530,22.36857 537.0351,21.44529 
537.5172,20.35019 537.9993,19.07213 538.4814,17.96743 538.9636,17.23557 
539.4457,16.70453 539.9278,16.10111 540.4099,15.42671 540.8920,14.70418 
541.3741,13.88305 541.8563,13.05046 542.3384,12.25009 542.8205,11.50488 
543.3026,10.92938 543.7847,10.63087 544.2668,10.49415 544.7490,10.10740 
545.2311,9.211514 545.7132,8.412498 546.1953,7.739269 546.6774,7.151428 
547.1595,6.632210 547.6417,6.170513 548.1238,5.747395 548.6059,5.333965 
549.0880,4.955872 549.5701,4.738819 550.0522,4.792885 550.5344,4.727547 
551.0165,4.231968 551.4986,3.694912 551.9807,3.471474 552.4628,3.572643 
552.9449,3.627964 553.4271,3.426342 553.9092,3.037674 554.3913,2.500824 
554.8734,1.818100 555.3555,1.287739 555.8376,1.093121 556.3198,1.137459 
556.8019,1.183765 557.2840,1.239597 557.7661,1.279919 558.2482,1.290112 
558.7303,1.289909 559.2125,1.361263 559.6946,1.459820 560.1767,1.359787 
560.6588,0.8614770 561.1409,0.1176950 561.6230,0.1874640 562.1052,0.3462830 
562.5873,0.6292100 563.0694,0.3129900 563.5515,6.8659000E-02 
564.0336,0.1147310 564.5157,0.1577660 564.9979,0.4648900 565.4800,0.6333160 
565.9621,0.6826670 566.4442,0.6307530 566.9263,0.4551180 567.4084,0.3385870 
567.8906,0.4024910 568.3727,0.5130270 568.8548,0.4873640 569.3369,0.3182010 
569.8190,0.1503520 570.3011,1.1021000E-02 570.7833,0.1172620 
571.2654,5.8972999E-02 571.7475,0.1227780 572.2296,0.2099380 
572.7117,6.9214001E-02 573.1938,0.1798860 573.6760,0.2404170 
574.1581,0.1164990 574.6402,0.2363380 575.1223,0.1026380 575.6044,0.4625640 
576.0865,0.5560470 576.5687,0.4517920 577.0508,0.3988360 577.5329,0.5546880 
578.0150,0.7805820 578.4971,0.7460880 578.9792,0.3961520 
579.4614,9.6155003E-02 579.9435,7.3436998E-02 580.4256,0.1914160 
580.9077,0.3330250 581.3898,0.4794790 581.8719,0.5566710 582.3541,0.4930460 
582.8362,0.3905700 583.3183,0.3347700 583.8004,0.3208520 584.2825,0.3348660 
584.7646,0.3763010 585.2468,0.4269260 585.7289,0.4604630 586.2110,0.4726940 
586.6931,0.5084360 587.1752,0.5200350 587.6573,0.6041340 588.1394,0.8969000 
588.6215,1.257614 589.1036,1.453119 589.5858,1.410748 590.0679,1.287325 
590.5500,1.301437 591.0321,1.471357 591.5142,1.612207 591.9963,1.728542 
592.4785,1.824781 592.9606,1.851152 593.4427,1.857634 593.9248,1.942772 
594.4069,2.175909 594.8890,2.309788 595.3712,2.004623 595.8533,1.509100 
596.3354,1.467552 596.8175,2.003435 597.2996,2.549761 597.7817,2.705740 
598.2639,2.550337 598.7460,2.532393 599.2281,2.720142 599.7102,2.920763 
600.1923,3.135019 600.6744,3.339367 601.1566,3.519741 601.6387,3.673113 
602.1208,3.809361 602.6029,3.930910 603.0850,4.034267 603.5671,4.103899 
604.0493,4.114830 604.5314,4.183472 605.0135,4.398731 605.4956,4.641119 
605.9777,4.870558 606.4598,5.082359 606.9420,5.262777 607.4241,5.391312 
607.9062,5.519505 608.3883,5.811977 608.8704,6.218647 609.3525,6.480915 
609.8347,6.484844 610.3168,6.350878 610.7989,6.244577 611.2810,6.163763 
611.7631,6.184381 612.2452,6.349852 612.7274,6.589052 613.2095,6.987263 
613.6916,7.414776 614.1737,7.616186 614.6558,7.514992 615.1379,7.326466 
615.6201,7.379154 616.1022,7.689522 616.5843,7.787046 617.0664,7.534924 
617.5485,7.312929 618.0306,7.306278 618.5128,7.424191 618.9949,7.582937 
619.4770,7.774612 619.9591,7.932297 620.4412,7.959976 620.9233,7.907558 
621.4055,7.840723 621.8876,7.773293 622.3697,7.686899 622.8518,7.551668 
623.3339,7.373665 623.8160,7.182827 624.2982,6.956717 624.7803,6.754593 
625.2624,6.554338 625.7445,6.397560 626.2266,6.367676 626.7087,6.396679 
627.1909,6.325554 627.6730,6.062820 628.1551,5.697948 628.6372,5.368212 
629.1193,5.082399 629.6014,4.884357 630.0836,4.813513 630.5657,4.751219 
631.0478,4.608568 631.5299,4.408571 632.0120,4.190247 632.4941,3.874876 
632.9763,3.600002 633.4584,3.491304 633.9405,3.459208 634.4226,3.349789 
634.9047,3.137941 635.3868,2.916922 635.8690,2.644188 636.3511,2.696102 
636.8332,2.686495 637.3153,2.616690 637.7974,2.243433 638.2795,2.277412 
638.7617,2.156769 639.2438,2.038885 639.7259,2.139854 640.2080,1.820793 
640.6901,1.910107 641.1722,1.834158 641.6544,1.839899 642.1365,1.686262 
642.6186,1.583136 643.1007,1.647478 643.5828,1.385839 644.0649,1.309988 
644.5471,1.253750 645.0292,1.169113 645.5113,1.078186 645.9934,0.9535060 
646.4755,0.6935310 646.9576,0.4281520 647.4398,0.3890800 647.9219,0.5881080 
648.4040,0.7776320 648.8861,0.6916080 649.3682,0.3970970 649.8503,0.1323280 
650.3325,0.3209150 650.8146,0.4201770 651.2967,0.4383320 651.7788,0.1430550 
652.2609,0.2503550 652.7430,0.1952320 653.2252,0.1328910 653.7073,0.2926120 
654.1894,3.6235999E-02 654.6715,0.1937070 655.1536,0.1864970 
655.6357,0.2539140 656.1179,0.1580350 656.6000,0.1118970 657.0821,0.1865560 
657.5642,0.2169510 658.0463,0.1704730 658.5284,6.9706000E-02 
659.0106,0.2491780 659.4927,0.3639600 659.9748,0.3679940 660.4569,0.3050750 
660.9390,0.1097740 661.4211,2.2320000E-03 661.9033,3.5443999E-02 
662.3854,0.2444780 662.8675,0.1213760 663.3496,0.1606330 663.8317,0.2071150 
664.3138,2.8980000E-02 664.7960,0.2663730 665.2781,9.2946999E-02 
665.7602,8.4293000E-02 666.2423,9.7499997E-04 666.7244,8.0889001E-02 
667.2065,0.1110230 667.6887,2.1173000E-02 668.1708,6.2788002E-02 
668.6529,3.7666000E-02 669.1350,4.7736999E-02 669.6171,0.2000890 
670.0992,0.1563340 670.5814,1.2985000E-02 671.0635,8.1441998E-02 
671.5456,0.1305410 672.0277,0.1098920 672.5098,2.0954000E-02 
672.9919,0.1762160 673.4741,0.2486930 673.9562,0.2350060 674.4383,0.2144360 
674.9204,0.1546210 675.4025,0.1454720 675.8846,0.3140050 676.3668,0.5795170 
676.8489,0.7460690 677.3310,0.7495690 677.8131,0.7140710 678.2952,0.7982460 
678.7773,1.007135 679.2595,1.204090 679.7416,1.434660 680.2237,1.574656 
680.7058,1.490898 681.1879,1.372351 681.6700,1.431267 682.1522,1.672050 
682.6343,1.854929 683.1164,1.724268 683.5985,1.554117 684.0806,1.762293 
684.5627,2.247932 685.0449,2.556145 685.5270,2.522738 686.0091,2.350166 
686.4912,2.306522 686.9733,2.417562 687.4554,2.358976 687.9376,1.897551 
688.4197,1.550831 688.9018,1.527277 689.3839,1.591932 689.8660,1.475849 
690.3481,1.174572 690.8303,0.9442330 691.3124,1.041773 691.7945,1.271675 
692.2766,1.248953 692.7587,0.9986320 693.2408,0.8109360 693.7230,0.7942940 
694.2051,0.8101010 694.6872,0.7010780 695.1693,0.4606150 695.6514,0.2144810 
696.1335,0.1882480 696.6157,0.4087100 697.0978,0.1629450 697.5799,0.1789510 
698.0620,0.2136330 698.5441,7.0459001E-02 699.0262,0.3790930 
699.5084,0.4930670 699.9905,0.4935150 700.4726,0.6135640 700.9547,0.8598100 
701.4368,0.8306350 701.9189,0.2977140 702.4011,0.2569660 702.8832,0.3130700 
703.3653,7.7026002E-02 703.8474,0.2519890 704.3295,2.3236999E-02 
704.8116,0.2207580 705.2938,0.1681210 705.7759,1.3220001E-03 
706.2580,0.2275940 706.7401,0.4592380 707.2222,0.5727920 707.7043,0.4674260 
708.1865,0.2243230 708.6686,8.2732998E-02 709.1507,5.8049999E-02 
709.6328,1.2247000E-02 710.1149,0.2094570 710.5970,0.3984680 
711.0792,0.4590470 711.5613,0.4456480 712.0434,0.4688570 712.5255,0.5456090 
713.0076,0.6911620 713.4897,0.9459060 713.9719,1.249020 714.4540,1.592312 
714.9361,1.945349 715.4182,2.201376 715.9003,2.288021 716.3824,2.318359 
716.8646,2.564638 717.3467,3.064428 717.8288,3.429718 718.3109,3.592867 
718.7930,3.725000 719.2751,3.899109 719.7573,4.095787 720.2394,4.265852 
720.7215,4.418674 721.2036,4.616562 721.6857,4.896511 722.1678,5.234762 
722.6500,5.595297 723.1321,5.984760 723.6142,6.361631 724.0963,6.714851 
724.5784,7.011148 725.0605,7.197706 725.5427,7.280098 726.0248,7.436726 
726.5069,7.667154 726.9890,7.958969 727.4711,8.334198 727.9532,8.728348 
728.4354,9.090258 728.9175,9.402370 729.3995,9.541557 729.8817,9.225065 
730.3638,8.976738 730.8459,9.302898 731.3280,9.906361 731.8101,10.21846 
732.2922,10.09956 732.7744,9.820976 733.2565,9.648445 733.7386,9.554684 
734.2207,9.349270 734.7028,8.969522 735.1849,8.687248 735.6671,8.630043 
736.1492,8.625172 736.6313,8.532536 737.1134,8.365005 737.5955,8.179447 
738.0776,8.077425 738.5598,7.845665 739.0419,7.213028 739.5240,6.484503 
740.0061,6.115604 740.4882,6.087849 740.9703,5.996311 741.4525,5.555229 
741.9346,4.940502 742.4167,4.607491 742.8988,4.613325 743.3809,4.477989 
743.8630,4.091705 744.3452,3.664125 744.8273,3.289640 745.3094,2.971748 
745.7915,2.732906 746.2736,2.607115 746.7557,2.455042 747.2379,2.216848 
747.7200,1.948631 748.2021,1.641739 748.6842,1.351269 749.1663,1.228382 
749.6484,1.326260 750.1306,1.458256 750.6127,1.329664 751.0948,0.9716870 
751.5769,0.8690610 752.0590,1.103729 752.5411,1.290630 753.0233,1.204002 
753.5054,1.080673 753.9875,1.258303 754.4696,1.726974 754.9517,2.181845 
755.4338,2.549885 755.9160,2.922207 756.3981,3.280502 756.8802,3.692986 
757.3623,4.301353 757.8444,5.087852 758.3265,5.849926 758.8087,6.395832 
759.2908,6.884338 759.7729,7.722767 760.2550,8.896236 760.7371,9.996323 
761.2192,10.92905 761.7014,11.82676 762.1835,12.75344 762.6656,13.73075 
763.1477,14.89492 763.6298,16.40526 764.1119,17.80097 764.5941,18.88476 
765.0762,19.96819 765.5583,21.25875 766.0404,22.71946 766.5225,24.23483 
767.0046,25.76190 767.4868,27.29055 767.9689,28.85418 768.4510,30.39758 
768.9331,31.69191 769.4152,32.72684 769.8973,33.86111 770.3795,35.25747 
770.8616,36.80674 771.3437,38.41914 771.8258,40.13456 772.3079,41.54505 
772.7900,42.61841 773.2722,43.43461 773.7543,43.82907 774.2364,44.10508 
774.7185,44.65868 775.2006,45.40675 775.6827,45.79617 776.1649,45.42778 
776.6470,44.74391 777.1291,44.20035 777.6112,43.73684 778.0933,43.23928 
778.5754,42.67769 779.0576,41.91395 779.5397,40.83007 780.0218,39.51474 
780.5039,38.25710 780.9860,37.13053 781.4681,35.85595 781.9503,34.31081 
782.4324,32.74857 782.9145,31.15221 783.3966,29.65415 783.8787,28.45989 
784.3608,27.63437 784.8430,26.82818 785.3251,25.91139 785.8072,24.91962 
786.2893,23.81774 786.7714,22.67465 787.2535,21.62225 787.7357,20.70310 
788.2178,19.89864 788.6999,19.19073 789.1820,18.57984 789.6641,18.10689 
790.1462,17.80828 790.6284,17.46519 791.1105,16.94897 791.5926,16.49414 
792.0747,16.45853 792.5568,16.67381 793.0389,16.43722 793.5211,15.20142 
794.0032,14.36161 794.4853,14.53845 794.9674,15.00998 795.4495,15.23175 
795.9316,15.26066 796.4138,15.37641 796.8959,15.69409 797.3780,16.07265 
797.8601,16.38777 798.3422,16.63017 798.8243,16.69178 799.3065,16.56737 
799.7886,16.69235 800.2707,17.29755 800.7528,18.02505 801.2349,18.37310 
801.7170,18.30216 802.1992,18.64605 802.6813,19.85692 803.1634,20.90103 
803.6455,21.59506 804.1276,22.11891 804.6097,22.56060 805.0919,22.96199 
805.5740,23.39405 806.0561,23.85822 806.5382,24.41671 807.0203,25.21406 
807.5024,26.11094 807.9846,26.89725 808.4667,27.54635 808.9488,28.07238 
809.4309,28.48011 809.9130,28.83781 810.3951,29.27277 810.8773,29.79583 
811.3594,30.14691 811.8415,30.23912 812.3236,30.40912 812.8057,30.93931 
813.2878,31.44513 813.7700,31.44036 814.2521,30.96081 814.7342,30.59420 
815.2163,30.69440 815.6984,30.58995 816.1805,29.75979 816.6627,28.78759 
817.1448,28.36117 817.6269,28.39420 818.1090,28.31747 818.5911,27.85064 
819.0732,27.13540 819.5554,26.24392 820.0375,25.26484 820.5196,24.59853 
821.0017,24.28382 821.4838,23.84535 821.9659,22.99788 822.4481,22.00476 
822.9302,21.34614 823.4123,21.11202 823.8944,20.64527 824.3765,19.73256 
824.8586,18.88608 825.3408,18.31791 825.8229,17.77355 826.3050,16.96755 
826.7871,15.95975 827.2692,15.13251 827.7513,14.71292 828.2335,14.32471 
828.7156,13.64061 829.1977,12.90265 829.6798,12.50005 830.1619,12.35287 
830.6440,12.06908 831.1262,11.45537 831.6083,10.67844 832.0904,9.960955 
832.5725,9.292839 833.0546,8.687279 833.5367,8.149479 834.0189,7.685392 
834.5010,7.301531 834.9831,6.992935 835.4652,6.790302 835.9473,6.702047 
836.4294,6.426069 836.9116,5.746161 837.3937,5.188780 837.8758,4.920376 
838.3579,4.732809 838.8400,4.503258 839.3221,4.225439 839.8043,3.903391 
840.2864,3.512260 840.7685,3.178789 841.2506,3.056744 841.7327,3.024324 
842.2148,2.901459 842.6970,2.695971 843.1791,2.491426 843.6612,2.310043 
844.1433,2.144384 844.6254,2.003984 845.1075,1.890158 845.5897,1.807753 
846.0718,1.782202 846.5539,1.634449 847.0360,1.251591 847.5181,0.8671890 
848.0002,0.6704500 848.4824,0.6267030 848.9645,0.5896170 849.4466,0.5713160 
849.9287,0.5468330 850.4108,0.5419430 850.8929,0.4937290 851.3751,0.2865350 
851.8572,4.6284001E-02 852.3393,3.9120000E-03 852.8214,0.2061980 
853.3035,0.3945450 853.7856,0.3379970 854.2678,0.1905920 854.7499,0.1586130 
855.2320,0.1992840 855.7141,0.2021620 856.1962,0.1425970 
856.6783,2.6361000E-02 857.1605,0.1594770 857.6426,0.3384110 
858.1247,0.2733960 858.6068,9.2606999E-02 859.0889,0.2505530 
859.5710,8.7759003E-02 860.0532,8.4412001E-02 860.5353,0.1079880 
861.0174,5.4492999E-02 861.4995,3.5156000E-02 861.9816,5.0841998E-02 
862.4637,8.1100002E-02 862.9459,0.1718960 863.4280,0.2204690 
863.9101,0.1074960 864.3922,2.2110001E-03 864.8743,0.1264990 
865.3564,0.4157510 865.8386,0.5819700 866.3207,0.4706820 866.8028,0.2902530 
867.2849,0.2237740 867.7670,0.2048300 868.2491,9.5008999E-02 
868.7313,7.8463003E-02 869.2134,0.1145800 869.6955,6.1438002E-02 
870.1776,0.2136820 870.6597,3.7985001E-02 871.1418,0.3935870 
871.6239,0.5817510 872.1060,0.5096090 872.5881,0.3012890 
873.0703,9.1840997E-02 873.5524,0.4323790 874.0345,0.5174730 
874.5166,0.3868980 874.9987,0.2075440 875.4808,0.1411800 875.9630,0.3267330 
876.4451,0.2607630 876.9272,0.1262660 877.4093,1.8274000E-02 
877.8914,0.1714800 878.3735,0.3797720 878.8557,0.6355760 879.3378,0.7501450 
879.8199,0.5401710 880.3020,0.2543620 880.7841,5.8309998E-02 
881.2662,7.5236998E-02 881.7484,0.1793190 882.2305,0.2657550 
882.7126,0.3633020 883.1947,0.4979000 883.6768,0.5714340 884.1589,0.3622110 
884.6411,6.2075000E-02 885.1232,0.3131940 885.6053,0.3722520 
886.0874,0.3617190 886.5695,0.3321480 887.0516,0.2189940 
887.5338,9.6619003E-02 888.0159,0.5895420 888.4980,0.7741660 
888.9801,0.4260180 889.4622,0.2246440 889.9443,0.3852120 890.4265,0.5609780 
890.9086,0.5523220 891.3907,0.4382040 891.8728,0.3545170 892.3549,0.3149190 
892.8370,0.3078540 893.3192,0.3396890 893.8013,0.3939910 894.2834,0.4870150 
894.7655,0.5821530 895.2476,0.6421890 895.7297,0.6569940 896.2119,0.6162130 
896.6940,0.4876500 897.1761,0.3697340 897.6582,0.3631800 898.1403,0.4582520 
898.6224,0.7250060 899.1046,1.105389 899.5867,1.215595 900.0688,0.8819520 
900.5509,0.4451900 901.0330,0.3721140 901.5151,0.6125450 901.9973,0.7186530 
902.4794,0.6601960 902.9615,0.6625710 903.4436,0.8095490 903.9257,0.9398520 
904.4078,0.9055770 904.8900,0.7694490 905.3721,0.7467400 905.8542,0.9498630 
906.3363,1.013018 906.8184,0.8069110 907.3005,0.6224270 907.7827,0.5740300 
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1259.728,0.8617970 1260.210,0.9325080 1260.692,0.8277850 1261.174,0.7351110 
1261.656,0.7374700 1262.138,0.6921380 1262.620,0.4687370 1263.103,0.2547230 
1263.585,7.1644999E-02 1264.067,5.3700001E-04 1264.549,0.1514610 
1265.031,0.4275430 1265.513,0.5715330 1265.995,0.5953380 1266.477,0.5948630 
1266.959,0.5845320 1267.442,0.4445910 1267.924,6.5142997E-02 
1268.406,1.0699000E-02 1268.888,0.4202670 1269.370,0.7233750 
1269.852,0.6183370 1270.334,0.3218030 1270.816,0.1234060 
1271.298,1.6070000E-03 1271.781,0.0000000E+00 
##MOLFORM=Al0.74 As3 Fe1.26 H23 Mg4.23 Mn8.06 O34 Zn0.71
##RESOLUTION=4
##PRESSURE=100
##TEMPERATURE=26.85
##END=
