##TITLE=1000629
##JCAMP-DX=4.24
##DATA TYPE=RAMAN SPECTRUM
##SOURCE REFERENCE=http://solsa.crystallography.net/rod/1000629.rod
##OWNER=PUBLIC DOMAIN
##XUNITS=1/CM
##YUNITS=ARBITRARY UNITS
##FIRSTX=118.5577
##LASTX=1275.638
##XFACTOR=1
##YFACTOR=1
##NPOINTS=2401
##FIRSTY=0.0000000E+00
##LASTY=0.0000000E+00
##XYPOINTS=(XY..XY)
118.5577,0.0000000E+00 119.0398,0.1872100 119.5220,0.2830700 
120.0041,2.0344000E-02 120.4862,8.5537001E-02 120.9683,9.5939999E-03 
121.4504,0.3641360 121.9325,0.7952000 122.4147,1.143871 122.8968,1.396420 
123.3789,1.691246 123.8610,2.064320 124.3431,2.527424 124.8252,3.091461 
125.3074,3.728600 125.7895,4.503284 126.2716,5.565052 126.7537,6.982765 
127.2358,8.587486 127.7179,10.45729 128.2001,12.41483 128.6822,14.33630 
129.1643,16.23820 129.6464,18.04939 130.1285,18.74668 130.6106,17.77915 
131.0928,16.11193 131.5749,13.50694 132.0570,10.31959 132.5391,7.138763 
133.0212,4.455524 133.5033,2.250420 133.9855,0.8468670 134.4676,0.4313510 
134.9497,0.4734150 135.4318,0.8250690 135.9139,1.421062 136.3960,2.079948 
136.8782,2.598972 137.3603,2.937244 137.8424,3.364017 138.3245,4.018372 
138.8066,4.720318 139.2887,5.271061 139.7709,5.630844 140.2530,5.815411 
140.7351,5.758804 141.2172,5.486328 141.6993,5.258869 142.1814,5.209126 
142.6636,5.299904 143.1457,5.377037 143.6278,5.316456 144.1099,5.354813 
144.5920,5.673233 145.0741,6.271999 145.5563,7.019478 146.0384,7.774933 
146.5205,8.515266 147.0026,9.467030 147.4847,10.99317 147.9668,12.52773 
148.4490,13.69532 148.9311,14.43288 149.4132,15.04882 149.8953,16.10787 
150.3774,18.20655 150.8595,19.47803 151.3417,19.75000 151.8238,19.42927 
152.3059,18.76089 152.7880,17.64206 153.2701,16.16193 153.7522,15.03371 
154.2344,14.51102 154.7165,14.43493 155.1986,15.04083 155.6807,16.02459 
156.1628,17.12606 156.6449,18.25428 157.1271,19.26468 157.6092,19.49008 
158.0913,18.65139 158.5734,17.53207 159.0555,16.14751 159.5376,14.61678 
160.0198,13.23666 160.5019,12.16033 160.9840,11.38941 161.4661,10.80328 
161.9482,10.31532 162.4303,10.07837 162.9125,10.27871 163.3946,10.90101 
163.8767,11.60749 164.3588,12.18499 164.8409,12.72855 165.3230,13.39419 
165.8052,14.17526 166.2873,15.11703 166.7694,16.27685 167.2515,17.68090 
167.7336,19.23872 168.2157,21.00484 168.6979,22.86716 169.1800,24.74464 
169.6621,26.68317 170.1442,28.55679 170.6263,30.03795 171.1084,31.13446 
171.5906,31.74189 172.0727,32.09633 172.5548,32.06519 173.0369,31.37311 
173.5190,29.89749 174.0011,27.80515 174.4833,25.59073 174.9654,22.51617 
175.4475,19.75523 175.9296,17.61939 176.4117,16.09155 176.8938,14.92756 
177.3760,13.99507 177.8581,13.30891 178.3402,12.27586 178.8223,10.67052 
179.3044,8.991741 179.7865,7.272182 180.2687,5.604107 180.7508,4.192379 
181.2329,3.251186 181.7150,2.832561 182.1971,2.283035 182.6792,1.389030 
183.1614,0.5590210 183.6435,8.4213004E-02 184.1256,4.6448000E-02 
184.6077,0.1228870 185.0898,0.4369130 185.5719,0.9994430 186.0540,1.307144 
186.5362,1.279301 187.0183,1.031975 187.5004,0.6295090 187.9825,7.1796000E-02 
188.4646,0.5389750 188.9467,1.128727 189.4289,1.698799 189.9110,2.265907 
190.3931,2.817760 190.8752,3.372589 191.3573,4.002556 191.8394,4.772877 
192.3216,5.443905 192.8037,5.706577 193.2858,5.721115 193.7679,5.855232 
194.2500,6.418972 194.7321,7.243938 195.2143,7.744209 195.6964,7.642944 
196.1785,7.632687 196.6606,8.155544 197.1427,9.042484 197.6248,9.913048 
198.1070,10.42898 198.5891,10.65482 199.0712,11.25151 199.5533,12.38170 
200.0354,13.75753 200.5175,15.25388 200.9997,16.88618 201.4818,18.70798 
201.9639,20.76810 202.4460,23.06974 202.9281,25.45187 203.4102,28.00750 
203.8924,30.54778 204.3745,33.26377 204.8566,35.95832 205.3387,38.15782 
205.8208,39.44492 206.3029,39.76771 206.7851,39.64703 207.2672,38.82090 
207.7493,37.85392 208.2314,36.99149 208.7135,36.20073 209.1956,35.29729 
209.6778,34.11159 210.1599,32.61722 210.6420,31.00514 211.1241,29.30311 
211.6062,27.46518 212.0883,25.54274 212.5705,23.46776 213.0526,21.30910 
213.5347,19.03291 214.0168,16.60944 214.4989,14.68577 214.9810,13.61807 
215.4632,12.72042 215.9453,11.47723 216.4274,9.884602 216.9095,8.379227 
217.3916,7.337059 217.8737,6.792587 218.3559,6.346867 218.8380,6.212944 
219.3201,6.030754 219.8022,5.399265 220.2843,4.289616 220.7664,3.163326 
221.2486,2.366848 221.7307,1.865284 222.2128,1.516052 222.6949,1.461117 
223.1770,1.466587 223.6591,1.249065 224.1413,0.7761040 224.6234,0.2525020 
225.1055,0.2605210 225.5876,0.7133290 226.0697,0.9817730 226.5518,0.9295620 
227.0340,0.7278210 227.5161,0.5953870 227.9982,0.5146790 228.4803,0.5701750 
228.9624,0.9779210 229.4445,1.512791 229.9267,1.883331 230.4088,1.975224 
230.8909,1.848492 231.3730,1.600391 231.8551,1.210491 232.3372,0.7466810 
232.8194,0.1563870 233.3015,0.4641150 233.7836,1.013992 234.2657,1.463573 
234.7478,1.800495 235.2299,1.956360 235.7121,1.778522 236.1942,1.734589 
236.6763,1.961441 237.1584,2.366943 237.6405,2.874065 238.1227,3.459774 
238.6048,4.101933 239.0869,4.736801 239.5690,5.329411 240.0511,5.987125 
240.5332,6.793396 241.0154,7.635319 241.4975,8.361485 241.9796,8.912960 
242.4617,9.380081 242.9438,9.975681 243.4259,10.90118 243.9081,11.60848 
244.3902,12.11765 244.8723,12.41136 245.3544,12.43141 245.8365,12.16697 
246.3186,11.70692 246.8007,11.26097 247.2829,10.88280 247.7650,10.43716 
248.2471,9.904987 248.7292,9.315788 249.2113,8.601482 249.6934,7.760799 
250.1756,7.001408 250.6577,6.742828 251.1398,7.443752 251.6219,8.022068 
252.1040,8.443253 252.5861,8.762867 253.0683,8.995350 253.5504,9.152496 
254.0325,9.303288 254.5146,9.579269 254.9967,10.23315 255.4788,10.50032 
255.9610,10.29938 256.4431,9.769260 256.9252,8.935795 257.4073,7.825977 
257.8894,6.632877 258.3716,5.606201 258.8537,4.798706 259.3358,4.071663 
259.8179,3.259747 260.3000,2.622482 260.7821,2.472485 261.2643,2.842785 
261.7464,3.383629 262.2285,3.740868 262.7106,3.883667 263.1927,3.887012 
263.6748,3.564472 264.1570,3.220917 264.6391,3.120129 265.1212,3.286114 
265.6033,3.569786 266.0854,3.831505 266.5675,4.074783 267.0497,4.429771 
267.5318,5.021603 268.0139,5.639484 268.4960,6.096283 268.9781,6.387180 
269.4602,6.652790 269.9424,6.944630 270.4245,7.304768 270.9066,7.888851 
271.3887,8.802959 271.8708,9.868629 272.3529,10.97710 272.8351,12.12573 
273.3172,13.30686 273.7993,14.59991 274.2814,15.89407 274.7635,16.91454 
275.2456,17.64980 275.7278,18.11224 276.2099,18.27110 276.6920,18.14074 
277.1741,17.83138 277.6562,17.37523 278.1383,16.76179 278.6204,16.06020 
279.1025,15.32267 279.5847,14.37050 280.0668,12.78602 280.5489,10.73448 
281.0310,9.283371 281.5131,9.013508 281.9952,9.344173 282.4774,9.410828 
282.9595,9.162189 283.4416,8.793983 283.9237,8.272137 284.4058,7.713497 
284.8879,7.569649 285.3701,8.078957 285.8522,8.862961 286.3343,9.581581 
286.8164,10.21251 287.2985,10.62217 287.7806,10.70172 288.2628,10.52867 
288.7449,10.25222 289.2270,9.746624 289.7091,9.444527 290.1912,9.797745 
290.6733,10.66548 291.1555,11.52711 291.6376,12.04100 292.1197,12.37392 
292.6018,12.93953 293.0839,13.79948 293.5660,14.78781 294.0482,15.83387 
294.5303,16.91698 295.0124,18.01933 295.4945,19.11395 295.9766,20.22501 
296.4587,21.42200 296.9409,22.74788 297.4230,24.01483 297.9051,25.10279 
298.3872,26.09298 298.8693,27.08831 299.3514,28.15844 299.8336,29.17598 
300.3157,29.90173 300.7978,30.26756 301.2799,30.77914 301.7620,31.65765 
302.2441,32.77206 302.7263,34.05691 303.2084,35.52245 303.6905,37.09134 
304.1726,38.85453 304.6547,40.83573 305.1368,42.25269 305.6190,42.98949 
306.1011,42.93266 306.5832,41.91005 307.0653,39.92420 307.5474,37.44487 
308.0295,34.73858 308.5117,31.82063 308.9938,28.81829 309.4759,25.60629 
309.9580,22.54533 310.4401,19.78937 310.9222,17.32301 311.4044,15.13792 
311.8865,13.29982 312.3686,11.82804 312.8507,10.68363 313.3328,9.916508 
313.8149,9.347988 314.2971,8.862579 314.7792,8.471848 315.2613,8.203373 
315.7434,8.090233 316.2255,8.091812 316.7076,8.139141 317.1898,8.262146 
317.6719,8.346386 318.1540,8.331059 318.6361,8.255775 319.1182,8.134460 
319.6003,7.940918 320.0825,7.786064 320.5646,7.887177 321.0467,8.308472 
321.5288,8.577641 322.0109,8.550842 322.4930,8.292473 322.9752,7.759525 
323.4573,6.939629 323.9394,6.114544 324.4215,5.579922 324.9036,5.332077 
325.3857,5.014065 325.8679,4.403469 326.3500,3.884872 326.8321,3.757374 
327.3142,3.981655 327.7963,4.284321 328.2784,4.588249 328.7606,4.848156 
329.2427,4.816708 329.7248,4.353748 330.2069,3.810158 330.6890,3.328583 
331.1711,2.930698 331.6533,2.668152 332.1354,2.563160 332.6175,2.608372 
333.0996,2.839287 333.5817,3.334347 334.0638,3.763947 334.5460,3.782085 
335.0281,3.702766 335.5102,3.889530 335.9923,4.465897 336.4744,5.265434 
336.9565,6.183968 337.4387,7.233742 337.9208,8.121346 338.4029,8.563137 
338.8850,8.935783 339.3671,9.610420 339.8492,10.63179 340.3314,11.76565 
340.8135,12.91507 341.2956,14.06350 341.7777,15.02154 342.2598,15.64654 
342.7419,16.22853 343.2241,17.08414 343.7062,18.15110 344.1883,19.09042 
344.6704,19.65935 345.1525,20.00272 345.6346,20.43479 346.1168,20.98944 
346.5989,21.57271 347.0810,22.12109 347.5631,22.64819 348.0452,23.17663 
348.5273,23.66498 349.0095,24.19883 349.4916,24.91777 349.9737,25.82398 
350.4558,26.72957 350.9379,27.76575 351.4200,28.58627 351.9022,28.70148 
352.3843,27.99580 352.8664,26.83881 353.3485,25.48235 353.8306,23.88185 
354.3127,21.76876 354.7949,18.83041 355.2770,15.73351 355.7591,13.32399 
356.2412,11.57722 356.7233,9.940525 357.2054,8.213570 357.6876,6.474983 
358.1697,4.788586 358.6518,3.134586 359.1339,1.733505 359.6160,0.8938870 
360.0981,0.5209080 360.5803,0.1160160 361.0624,0.4353140 361.5445,0.9955830 
362.0266,1.474552 362.5087,1.868427 362.9908,2.160469 363.4730,2.342434 
363.9551,2.406841 364.4372,2.355576 364.9193,2.153221 365.4014,1.908394 
365.8835,1.598118 366.3657,1.283649 366.8478,1.141666 367.3299,1.270294 
367.8120,1.424881 368.2941,1.143642 368.7762,0.2716180 369.2584,0.3212240 
369.7405,0.1742170 370.2226,0.1069340 370.7047,0.1826780 371.1868,1.095112 
371.6689,1.989609 372.1511,2.266579 372.6332,1.888798 373.1153,1.707710 
373.5974,1.752369 374.0795,1.939507 374.5616,2.314739 375.0438,2.804646 
375.5259,3.236691 376.0080,3.507210 376.4901,3.669529 376.9722,3.910854 
377.4543,4.261570 377.9365,4.648632 378.4186,5.031517 378.9007,5.462437 
379.3828,6.014565 379.8649,6.703072 380.3470,7.452816 380.8292,8.143837 
381.3113,8.690228 381.7934,9.466404 382.2755,10.58346 382.7576,11.80122 
383.2397,12.98529 383.7219,14.14384 384.2040,15.34291 384.6861,16.63469 
385.1682,18.01464 385.6503,19.37029 386.1324,20.72569 386.6146,22.02253 
387.0967,23.31767 387.5788,24.51491 388.0609,25.53801 388.5430,26.34854 
389.0251,26.89006 389.5073,27.03683 389.9894,26.68960 390.4715,26.11960 
390.9536,25.12575 391.4357,24.11579 391.9178,23.39448 392.4000,22.95405 
392.8821,22.52920 393.3642,21.85343 393.8463,20.91668 394.3284,20.00969 
394.8105,19.14791 395.2927,18.28989 395.7748,17.38468 396.2569,16.48143 
396.7390,15.63849 397.2211,14.86967 397.7032,14.21291 398.1854,13.82703 
398.6675,13.86743 399.1496,13.70070 399.6317,13.00041 400.1138,12.11261 
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402.5244,9.975380 403.0065,10.03535 403.4886,9.331715 403.9707,8.556820 
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414.0952,28.09578 414.5773,29.59286 415.0594,30.53826 415.5415,31.26379 
416.0237,31.78134 416.5058,31.96432 416.9879,31.72976 417.4700,31.08470 
417.9521,30.08176 418.4342,28.35909 418.9164,26.74173 419.3985,25.48587 
419.8806,24.46593 420.3627,23.52046 420.8448,22.59836 421.3269,21.71764 
421.8091,20.89250 422.2912,20.10102 422.7733,19.50603 423.2554,19.32627 
423.7375,19.14906 424.2196,18.59623 424.7018,17.78911 425.1839,17.18617 
425.6660,17.15213 426.1481,17.61885 426.6302,17.97704 427.1123,18.36153 
427.5945,18.33967 428.0766,17.63939 428.5587,16.64408 429.0408,15.63796 
429.5229,14.72666 430.0050,13.91315 430.4872,13.23061 430.9693,12.73285 
431.4514,12.15553 431.9335,11.37938 432.4156,10.61761 432.8977,9.929932 
433.3799,9.324608 433.8620,8.787548 434.3441,8.300987 434.8262,7.888752 
435.3083,7.612705 435.7904,7.457024 436.2726,7.487694 436.7547,7.913311 
437.2368,8.447765 437.7189,8.795303 438.2010,8.877438 438.6831,8.975018 
439.1653,9.318703 439.6474,9.895290 440.1295,10.61382 440.6116,11.49884 
441.0937,12.44958 441.5758,13.45057 442.0580,14.45823 442.5401,15.31247 
443.0222,15.99186 443.5043,16.47749 443.9864,16.79430 444.4685,16.92697 
444.9507,16.75385 445.4328,16.22447 445.9149,15.33575 446.3970,14.01940 
446.8791,12.10735 447.3612,10.34252 447.8434,8.994446 448.3255,7.870930 
448.8076,6.676563 449.2897,5.372498 449.7718,4.253517 450.2539,3.618019 
450.7361,3.490025 451.2182,3.391884 451.7003,3.451080 452.1824,3.398609 
452.6645,2.939236 453.1466,2.343006 453.6288,2.116451 454.1109,2.482155 
454.5930,3.132751 455.0751,3.466648 455.5572,3.405827 456.0393,3.150372 
456.5215,2.535866 457.0036,1.899914 457.4857,1.457409 457.9678,1.183651 
458.4499,0.8987880 458.9320,0.4328040 459.4142,0.1473240 459.8963,0.4248810 
460.3784,0.1874730 460.8605,2.0630000E-02 461.3426,0.2090150 
461.8247,0.4637340 462.3069,0.4555050 462.7890,8.3195001E-02 
463.2711,0.3572350 463.7532,0.4557800 464.2353,0.2353130 464.7174,0.3032950 
465.1996,0.8874820 465.6817,1.551620 466.1638,1.938278 466.6459,2.141209 
467.1280,2.417015 467.6101,2.901531 468.0923,3.455730 468.5744,3.961735 
469.0565,4.415253 469.5386,4.753468 470.0207,4.950020 470.5028,5.038994 
470.9850,5.021381 471.4671,4.837234 471.9492,4.783276 472.4313,5.151031 
472.9134,5.581158 473.3955,5.537647 473.8777,5.047039 474.3598,4.742752 
474.8419,5.128319 475.3240,6.125725 475.8061,6.971100 476.2882,7.592548 
476.7704,8.184128 477.2525,8.694416 477.7346,9.234608 478.2167,9.957214 
478.6988,10.89553 479.1809,11.91422 479.6631,12.85037 480.1452,13.67339 
480.6273,14.54289 481.1094,15.60557 481.5915,16.55851 482.0736,17.36735 
482.5558,17.98212 483.0379,18.35217 483.5200,18.45998 484.0021,18.28256 
484.4842,17.77280 484.9663,16.91475 485.4485,15.77860 485.9306,14.22819 
486.4127,12.51181 486.8948,10.64674 487.3769,8.705982 487.8590,7.043636 
488.3412,5.986217 488.8233,5.307701 489.3054,4.597565 489.7875,3.854420 
490.2696,3.092068 490.7517,2.231823 491.2339,1.419998 491.7160,0.9256060 
492.1981,0.8506580 492.6802,0.8012080 493.1623,0.6043430 493.6444,0.3364410 
494.1266,8.0975004E-02 494.6087,0.1453900 495.0908,0.2799110 
495.5729,0.2734220 496.0550,0.1228790 496.5371,0.1750980 497.0193,0.7656900 
497.5014,1.310844 497.9835,1.670822 498.4656,1.937019 498.9477,2.272480 
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501.3583,3.034657 501.8404,3.825798 502.3225,4.459839 502.8047,4.486126 
503.2868,4.133644 503.7689,3.830929 504.2510,3.780693 504.7331,3.903229 
505.2152,4.060146 505.6974,4.248791 506.1795,4.500122 506.6616,4.968369 
507.1437,5.352787 507.6258,5.364162 508.1079,5.066711 508.5901,4.826698 
509.0722,4.902328 509.5543,5.097797 510.0364,5.100666 510.5185,4.912621 
511.0006,4.761959 511.4828,4.778706 511.9649,4.876358 512.4470,4.900185 
512.9291,4.900532 513.4112,4.693653 513.8933,4.061817 514.3754,3.303318 
514.8575,2.728603 515.3397,2.357437 515.8218,2.046341 516.3039,1.680809 
516.7860,1.437292 517.2681,1.249256 517.7502,1.000732 518.2324,0.9469910 
518.7145,0.8382840 519.1966,0.6490380 519.6787,0.2907430 520.1608,0.2058240 
520.6429,0.6380790 521.1251,0.7838760 521.6072,0.6560120 522.0893,0.6496240 
522.5714,0.8894040 523.0535,1.050694 523.5356,0.9802300 524.0178,0.8017640 
524.4999,0.6518100 524.9820,0.5650580 525.4641,0.5028480 525.9462,0.4071060 
526.4283,0.2996140 526.9105,0.3131500 527.3926,0.5224340 527.8747,0.6827280 
528.3568,0.5832750 528.8389,0.2737270 529.3210,7.7886999E-02 
529.8032,0.6358110 530.2853,1.027016 530.7674,0.8702580 531.2495,0.4318010 
531.7316,0.2254580 532.2137,0.4007450 532.6959,0.8278080 533.1780,1.402092 
533.6601,2.211670 534.1422,2.598488 534.6243,2.221004 535.1064,1.865919 
535.5886,1.860811 536.0707,2.061575 536.5528,2.213655 537.0349,2.216915 
537.5170,2.184818 537.9991,2.326483 538.4813,2.699701 538.9634,2.945187 
539.4455,2.953136 539.9276,2.931242 540.4097,2.923981 540.8918,2.963350 
541.3740,3.116537 541.8561,3.443380 542.3382,3.822016 542.8203,4.144203 
543.3024,4.402002 543.7845,4.465389 544.2667,4.179113 544.7488,3.933388 
545.2309,4.329063 545.7130,5.273355 546.1951,5.852879 546.6772,5.677076 
547.1594,5.330570 547.6415,5.091574 548.1236,4.989168 548.6057,5.108229 
549.0878,5.494055 549.5699,5.930840 550.0521,6.038414 550.5342,5.635347 
551.0163,5.458786 551.4984,5.576187 551.9805,5.813709 552.4626,6.157801 
552.9448,6.545086 553.4269,6.862490 553.9090,7.051723 554.3911,7.253105 
554.8732,7.766665 555.3553,8.668081 555.8375,9.367329 556.3196,9.694668 
556.8017,9.903980 557.2838,10.08039 557.7659,10.27436 558.2480,10.63931 
558.7302,11.38709 559.2123,12.13851 559.6944,12.45929 560.1765,12.43016 
560.6586,12.42195 561.1407,12.56612 561.6229,12.69979 562.1050,12.58889 
562.5871,12.17895 563.0692,11.91889 563.5513,11.93721 564.0334,11.98307 
564.5156,11.82589 564.9977,11.62722 565.4798,11.72291 565.9619,12.24153 
566.4440,12.95012 566.9261,13.47136 567.4083,13.73870 567.8904,14.08852 
568.3725,14.57822 568.8546,15.09586 569.3367,15.65851 569.8188,16.21028 
570.3010,16.65858 570.7831,16.96861 571.2652,17.19813 571.7473,17.42834 
572.2294,17.64613 572.7115,17.74629 573.1937,17.69986 573.6758,17.63889 
574.1579,17.64407 574.6400,17.68141 575.1221,17.66085 575.6042,17.61912 
576.0864,17.48881 576.5685,17.11140 577.0506,16.65243 577.5327,16.38852 
578.0148,16.37532 578.4969,16.49793 578.9791,16.66439 579.4612,16.89563 
579.9433,17.12996 580.4254,17.23832 580.9075,17.46751 581.3896,17.95270 
581.8718,18.55914 582.3539,19.08583 582.8360,19.49944 583.3181,19.96705 
583.8002,20.69447 584.2823,21.64881 584.7645,22.58583 585.2466,23.54361 
585.7287,24.33953 586.2108,24.91245 586.6929,25.28318 587.1750,25.44579 
587.6572,25.37622 588.1393,25.16079 588.6214,24.95597 589.1035,24.58837 
589.5856,23.71502 590.0677,22.35994 590.5499,20.93855 591.0320,19.70630 
591.5141,18.61681 591.9962,17.45484 592.4783,15.97660 592.9604,14.82464 
593.4426,14.35297 593.9247,13.89314 594.4068,12.81412 594.8889,11.30627 
595.3710,10.10000 595.8531,9.720589 596.3353,9.857834 596.8174,9.780157 
597.2995,9.454006 597.7816,9.102407 598.2637,8.717844 598.7458,8.387638 
599.2280,8.155231 599.7101,8.025473 600.1922,8.023607 600.6743,8.269102 
601.1564,8.548859 601.6385,8.647646 602.1207,8.631670 602.6028,8.711678 
603.0849,8.961285 603.5670,9.274719 604.0491,9.509602 604.5313,9.639263 
605.0134,9.857697 605.4955,10.25129 605.9776,10.62263 606.4597,10.89238 
606.9418,11.11214 607.4240,11.41161 607.9061,11.80518 608.3882,12.05629 
608.8703,11.78870 609.3524,11.05521 609.8345,10.57724 610.3167,10.45034 
610.7988,10.36368 611.2809,10.17023 611.7630,9.925570 612.2451,9.709717 
612.7272,9.541824 613.2094,9.344349 613.6915,8.989738 614.1736,8.636955 
614.6557,8.563889 615.1378,8.736324 615.6199,8.799610 616.1021,8.520176 
616.5842,8.034292 617.0663,7.739246 617.5484,7.825558 618.0305,7.776417 
618.5126,7.444740 618.9948,7.126564 619.4769,7.098764 619.9590,7.214512 
620.4411,7.087862 620.9232,6.482931 621.4053,5.710461 621.8875,5.307158 
622.3696,5.265446 622.8517,5.073334 623.3338,4.611994 623.8159,4.049971 
624.2980,3.479851 624.7802,2.919146 625.2623,2.430754 625.7444,2.027838 
626.2265,1.693304 626.7086,1.475861 627.1907,1.296480 627.6729,0.9926970 
628.1550,0.5597820 628.6371,0.2250160 629.1192,0.2208290 629.6013,0.4821150 
630.0834,0.4515270 630.5656,0.1986480 631.0477,0.5920560 631.5298,0.4310590 
632.0119,0.1337030 632.4940,3.1950001E-03 632.9761,2.7767001E-02 
633.4583,7.8478001E-02 633.9404,9.6483000E-02 634.4225,5.3955000E-02 
634.9046,0.1740470 635.3867,0.5616260 635.8688,0.7330670 636.3510,0.5229820 
636.8331,0.1697330 637.3152,7.3586002E-02 637.7973,0.2016790 
638.2794,0.2007790 638.7615,8.4735997E-02 639.2437,0.3262250 
639.7258,0.3318040 640.2079,0.2334690 640.6900,0.2329810 641.1721,0.3747620 
641.6542,0.5380940 642.1364,0.5940360 642.6185,0.5500680 643.1006,0.4972480 
643.5827,0.4231490 644.0648,0.3685760 644.5469,0.4353390 645.0291,0.4715960 
645.5112,0.3124310 645.9933,5.1378001E-02 646.4754,0.4308150 
646.9575,0.9093020 647.4396,1.240992 647.9218,0.9891490 648.4039,0.3072930 
648.8860,0.1218450 649.3681,8.1040002E-03 649.8502,0.3417800 
650.3323,0.4541990 650.8145,0.2457140 651.2966,0.1837650 651.7787,0.4920230 
652.2608,0.6832920 652.7429,0.5327760 653.2250,0.2165890 
653.7072,4.3480001E-02 654.1893,0.1910020 654.6714,0.3125150 
655.1535,0.5329860 655.6356,0.7926310 656.1177,0.8382930 656.5999,0.6280440 
657.0820,0.5040990 657.5641,0.6275160 658.0462,0.9244060 658.5283,1.311485 
659.0104,1.835558 659.4926,2.205208 659.9747,2.228949 660.4568,2.227688 
660.9389,2.377319 661.4210,2.663374 661.9031,3.027004 662.3853,3.445761 
662.8674,3.925543 663.3495,4.549042 663.8316,5.347229 664.3137,5.753483 
664.7958,5.476164 665.2780,5.336901 665.7601,5.889484 666.2422,6.687672 
666.7243,7.194223 667.2064,7.315958 667.6885,7.468796 668.1707,7.833382 
668.6528,8.338821 669.1349,8.939026 669.6170,9.611797 670.0991,10.29100 
670.5812,10.94116 671.0634,11.59415 671.5455,12.29414 672.0276,12.99563 
672.5097,13.90422 672.9918,15.33285 673.4739,16.62291 673.9561,17.42824 
674.4382,18.03670 674.9203,18.86165 675.4024,20.00118 675.8845,21.13952 
676.3666,22.17272 676.8488,22.97486 677.3309,23.18040 677.8130,22.78234 
678.2951,22.30479 678.7772,22.02012 679.2593,21.73699 679.7415,21.07763 
680.2236,19.87273 680.7057,18.80132 681.1878,18.07016 681.6699,17.24297 
682.1520,16.04413 682.6342,14.64398 683.1163,13.26000 683.5984,11.96350 
684.0805,10.85653 684.5626,10.06580 685.0447,9.558933 685.5269,9.202780 
686.0090,9.042366 686.4911,8.752710 686.9732,8.092709 687.4553,7.324903 
687.9374,6.896196 688.4196,6.814402 688.9017,6.692947 689.3838,6.348576 
689.8659,6.153769 690.3480,6.397905 690.8301,6.899271 691.3123,7.372036 
691.7944,7.720915 692.2765,7.998842 692.7586,8.223015 693.2407,8.406586 
693.7228,8.844677 694.2050,9.619251 694.6871,10.43456 695.1692,11.17004 
695.6513,11.90595 696.1334,12.74024 696.6155,13.69061 697.0977,14.67066 
697.5798,15.67791 698.0619,16.69362 698.5440,17.65757 699.0261,18.63336 
699.5082,19.73980 699.9904,21.00984 700.4725,22.39395 700.9546,23.85439 
701.4367,25.38109 701.9188,26.83432 702.4009,28.04251 702.8831,29.51733 
703.3652,31.65124 703.8473,33.90533 704.3294,35.88320 704.8115,37.58569 
705.2936,39.21776 705.7758,40.73785 706.2579,42.41600 706.7400,44.38083 
707.2221,46.63011 707.7042,49.34757 708.1863,52.55274 708.6685,55.73772 
709.1505,58.37227 709.6326,60.53766 710.1147,63.01357 710.5969,66.06089 
711.0790,68.99892 711.5611,71.84341 712.0432,74.44961 712.5253,76.96130 
713.0074,79.15509 713.4896,80.36263 713.9717,80.13114 714.4538,79.20087 
714.9359,78.36925 715.4180,77.30583 715.9001,75.21033 716.3823,71.97246 
716.8644,68.04581 717.3465,63.66269 717.8286,58.98169 718.3107,54.51410 
718.7928,50.34945 719.2750,46.26623 719.7571,42.11485 720.2392,38.18905 
720.7213,34.65642 721.2034,31.47408 721.6855,28.53394 722.1677,25.82137 
722.6498,23.29534 723.1319,20.82739 723.6140,18.54673 724.0961,16.80473 
724.5782,15.58891 725.0604,14.54603 725.5425,13.50264 726.0246,12.45785 
726.5067,11.38197 726.9888,10.18684 727.4709,9.233562 727.9531,8.770611 
728.4352,8.262794 728.9173,7.408318 729.3994,6.469191 729.8815,5.836493 
730.3636,5.584785 730.8458,5.357426 731.3279,4.830000 731.8100,4.204325 
732.2921,3.875763 732.7742,3.795782 733.2563,3.564070 733.7385,2.999130 
734.2206,2.358847 734.7027,2.001055 735.1848,1.954302 735.6669,1.909464 
736.1490,1.868212 736.6312,1.816031 737.1133,1.787607 737.5954,1.723911 
738.0775,1.538801 738.5596,1.266207 739.0417,1.085804 739.5239,1.133741 
740.0060,1.216059 740.4881,1.088531 740.9702,0.8328500 741.4523,0.6479380 
741.9344,0.5757710 742.4166,0.6274150 742.8987,0.8450260 743.3808,1.159813 
743.8629,1.285257 744.3450,1.130093 744.8271,0.9550040 745.3093,0.7218510 
745.7914,0.5177190 746.2735,0.3882620 746.7556,0.3269290 747.2377,0.3154220 
747.7198,0.3542920 748.2020,0.4149110 748.6841,0.4414650 749.1662,0.4904650 
749.6483,0.7350810 750.1304,1.138439 750.6125,1.366068 751.0947,1.231285 
751.5768,0.9238240 752.0589,0.7716160 752.5410,0.7819270 753.0231,0.9230140 
753.5052,1.360365 753.9874,1.705961 754.4695,1.809357 754.9516,1.788723 
755.4337,1.742310 755.9158,1.686975 756.3979,1.669243 756.8801,1.671247 
757.3622,1.756788 757.8443,2.043802 758.3264,2.445766 758.8085,2.808300 
759.2906,3.083445 759.7728,3.228472 760.2549,3.161926 760.7370,2.946280 
761.2191,2.976553 761.7012,3.319193 762.1833,3.759853 762.6655,4.392393 
763.1476,4.949059 763.6297,5.202734 764.1118,5.244936 764.5939,5.367249 
765.0760,5.732889 765.5582,6.007318 766.0403,5.906591 766.5224,5.668604 
767.0045,5.578402 767.4866,5.618837 767.9688,5.633451 768.4509,5.527317 
768.9330,5.302004 769.4151,4.873751 769.8972,4.232761 770.3793,3.994829 
770.8615,4.368851 771.3436,4.679689 771.8257,4.597355 772.3078,4.263647 
772.7899,3.869099 773.2720,3.417501 773.7542,3.010860 774.2363,2.634268 
774.7184,2.370605 775.2005,2.310759 775.6826,2.317862 776.1647,2.259365 
776.6469,2.108324 777.1290,1.844370 777.6111,1.401175 778.0932,0.9260620 
778.5753,0.7934020 779.0574,0.9876330 779.5396,1.064837 780.0217,0.9069980 
780.5038,0.7465950 780.9859,0.7930160 781.4680,0.9779610 781.9501,0.9990250 
782.4323,0.7149700 782.9144,0.5040300 783.3965,0.4200840 783.8786,0.3759520 
784.3607,0.3133680 784.8428,0.2620200 785.3250,0.2848740 785.8071,0.4063510 
786.2892,0.5063690 786.7713,0.4638120 787.2534,0.3375630 787.7355,0.2216970 
788.2177,0.1224650 788.6998,6.1850000E-02 789.1819,5.2940000E-02 
789.6640,3.3697002E-02 790.1461,8.9515999E-02 790.6282,0.3156390 
791.1104,0.3882810 791.5925,0.1863770 792.0746,3.4423999E-02 
792.5567,4.7070000E-02 793.0388,7.5148001E-02 793.5209,3.6440000E-02 
794.0031,0.2259670 794.4852,0.2679810 794.9673,3.8906001E-02 
795.4494,0.2384610 795.9315,0.5198170 796.4136,0.7135600 796.8958,0.6565480 
797.3779,0.3835540 797.8600,5.1748000E-02 798.3421,0.2628400 
798.8242,0.4846670 799.3063,0.4288900 799.7885,7.9755999E-02 
800.2706,5.9739999E-02 800.7527,8.7885000E-02 801.2348,0.2102950 
801.7169,0.1392820 802.1990,2.1986000E-02 802.6812,9.1389000E-02 
803.1633,0.3482860 803.6454,0.5175670 804.1275,0.5064090 804.6096,0.4864140 
805.0917,0.5175210 805.5739,0.5724160 806.0560,0.6128500 806.5381,0.6447050 
807.0202,0.7220840 807.5023,0.9003510 807.9844,1.064224 808.4666,1.002405 
808.9487,0.7839910 809.4308,0.6889510 809.9129,0.7513280 810.3950,0.8513680 
810.8771,0.9293540 811.3593,0.9816090 811.8414,0.9944610 812.3235,0.9429110 
812.8056,0.9486640 813.2877,1.206772 813.7698,1.273371 814.2520,0.8126600 
814.7341,0.2501010 815.2162,5.0631002E-02 815.6983,0.2228870 
816.1804,0.3814300 816.6625,0.3171580 817.1447,0.2382550 817.6268,0.3751130 
818.1089,0.5650350 818.5910,0.5019550 819.0731,0.1885430 819.5552,0.1047170 
820.0374,0.2034590 820.5195,0.1704620 821.0016,0.1002060 
821.4837,1.1564000E-02 821.9658,4.1221999E-02 822.4479,0.3755340 
822.9301,0.5118560 823.4122,5.0836999E-02 823.8943,0.6144980 
824.3764,0.7502940 824.8585,0.2226280 825.3406,0.1281200 825.8228,0.2402400 
826.3049,0.2132740 826.7870,0.1151540 827.2691,0.4357950 827.7512,0.3432480 
828.2333,0.1104870 828.7155,0.4696750 829.1976,0.4854320 829.6797,0.3124450 
830.1618,1.6363000E-02 830.6439,0.3706360 831.1260,0.3525220 
831.6082,3.7785999E-02 832.0903,0.3454800 832.5724,0.3027080 
833.0545,6.5981001E-02 833.5366,4.5141000E-02 834.0187,7.5260000E-03 
834.5009,0.1002560 834.9830,0.4824370 835.4651,0.7948740 835.9472,0.8821160 
836.4293,0.8614350 836.9114,0.8661750 837.3936,0.8932320 837.8757,0.8775920 
838.3578,0.7336670 838.8399,0.6400550 839.3220,0.6914940 839.8041,0.8044910 
840.2863,0.9667700 840.7684,1.111963 841.2505,1.041128 841.7326,0.6218220 
842.2147,0.2149510 842.6968,0.3414550 843.1790,0.8078500 843.6611,1.072031 
844.1432,1.108519 844.6253,1.050404 845.1074,0.9353580 845.5895,0.8584310 
846.0717,0.9568420 846.5538,1.230631 847.0359,1.498083 847.5180,1.841389 
848.0001,2.005676 848.4822,1.741741 848.9644,1.459282 849.4465,1.475784 
849.9286,1.708603 850.4107,1.914444 850.8928,2.104053 851.3749,2.156197 
851.8571,1.830244 852.3392,1.516703 852.8213,1.633181 853.3034,1.975986 
853.7855,2.098694 854.2676,1.877983 854.7498,1.607651 855.2319,1.537382 
855.7140,1.637331 856.1961,1.875263 856.6782,2.215364 857.1603,2.438385 
857.6425,2.483257 858.1246,2.457472 858.6067,2.460741 859.0888,2.475922 
859.5709,2.446203 860.0530,2.333445 860.5352,2.275436 861.0173,2.288666 
861.4994,2.343540 861.9815,2.473024 862.4636,2.611746 862.9457,2.680004 
863.4279,2.671402 863.9100,2.599157 864.3921,2.330772 864.8742,2.153709 
865.3563,2.301638 865.8384,2.575216 866.3206,2.760857 866.8027,2.825764 
867.2848,2.810005 867.7669,2.723787 868.2490,2.615700 868.7311,2.532711 
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876.9271,3.170771 877.4092,3.433657 877.8914,3.834812 878.3735,4.209772 
878.8556,4.462236 879.3377,4.615622 879.8198,4.654591 880.3019,4.590221 
880.7841,4.593691 881.2662,4.841969 881.7483,5.199671 882.2304,5.469376 
882.7125,5.715267 883.1946,6.147236 883.6768,6.772196 884.1589,7.272169 
884.6410,7.425953 885.1231,7.511452 885.6052,8.192104 886.0873,9.474390 
886.5695,10.35730 887.0516,10.76439 887.5337,11.08392 888.0158,11.39373 
888.4979,11.79026 888.9800,12.37570 889.4622,13.13752 889.9443,14.06461 
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892.3549,19.84605 892.8370,20.52893 893.3191,21.37829 893.8012,22.49395 
894.2833,23.55976 894.7654,24.27192 895.2476,25.01412 895.7297,26.25888 
896.2118,27.70055 896.6939,28.80893 897.1760,29.50139 897.6581,29.99901 
898.1403,30.40824 898.6224,30.85957 899.1045,31.71060 899.5866,32.81343 
900.0687,33.55737 900.5508,33.89187 901.0330,33.80734 901.5151,33.26048 
901.9972,32.51174 902.4793,31.99856 902.9614,30.98993 903.4435,29.86179 
903.9257,28.97673 904.4078,27.32127 904.8899,26.32556 905.3720,25.25536 
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911.6395,8.907440 912.1216,8.153591 912.6038,7.499043 913.0859,6.908279 
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1005.652,23.92718 1006.134,23.00361 1006.616,21.94370 1007.099,20.69306 
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1228.390,0.4488300 1228.872,0.4246260 1229.354,0.4041340 1229.836,0.4140650 
1230.319,0.3634740 1230.801,0.1237410 1231.283,5.7367999E-02 
1231.765,4.4780001E-03 1232.247,7.9150997E-02 1232.729,2.4621001E-02 
1233.211,0.1769560 1233.693,8.2878001E-02 1234.176,0.2433830 
1234.658,0.3652420 1235.140,0.1785540 1235.622,0.1120120 1236.104,0.2251640 
1236.586,0.3121040 1237.068,0.3045870 1237.550,0.2965110 1238.032,0.3640390 
1238.515,0.4342250 1238.997,0.3737960 1239.479,0.2153920 
1239.961,5.1160999E-02 1240.443,9.5121004E-02 1240.925,6.8219997E-02 
1241.407,0.1093080 1241.889,0.2619070 1242.371,0.3390720 1242.854,0.4035280 
1243.336,0.5002460 1243.818,0.5508420 1244.300,0.4418730 1244.782,0.3050370 
1245.264,0.2002940 1245.746,0.1993720 1246.228,0.5027310 1246.711,0.9314270 
1247.193,1.124765 1247.675,1.036205 1248.157,0.8755510 1248.639,0.5902440 
1249.121,0.4389930 1249.603,0.6010690 1250.085,0.7306960 1250.568,0.7097750 
1251.050,0.6344950 1251.532,0.5447670 1252.014,0.4680600 1252.496,0.4607160 
1252.978,0.5130100 1253.460,0.4989680 1253.942,0.3954770 1254.424,0.4416730 
1254.906,0.6273250 1255.389,0.6830180 1255.871,0.4863970 1256.353,0.2999720 
1256.835,0.2889850 1257.317,0.3782740 1257.799,0.5393720 1258.281,0.6539100 
1258.763,0.4501740 1259.246,0.5546740 1259.728,0.5398970 1260.210,0.4449960 
1260.692,0.5114200 1261.174,0.3525660 1261.656,0.2166310 1262.138,0.2055570 
1262.620,0.2011920 1263.103,0.1166760 1263.585,7.0500001E-02 
1264.067,0.1634270 1264.549,0.2618190 1265.031,0.2487780 1265.513,0.2006620 
1265.995,0.2344160 1266.477,0.3316580 1266.959,0.4017530 1267.442,0.4559500 
1267.924,0.4258950 1268.406,0.2755110 1268.888,0.2228830 1269.370,0.3264760 
1269.852,0.3737710 1270.334,0.2484950 1270.816,0.1591210 1271.298,0.3669430 
1271.781,0.1581410 1272.263,0.4701750 1272.745,5.5117000E-02 
1273.227,1.7612001E-02 1273.709,0.1497710 1274.191,0.2772940 
1274.673,0.1656840 1275.155,7.7740997E-02 1275.638,0.0000000E+00 
##MOLFORM=Al1.8 B Ca1.65 Fe0.2 H Mg0.1 Mn1.2 O16 Si4
##RESOLUTION=4
##PRESSURE=100
##TEMPERATURE=26.85
##END=
