##TITLE=2100023
##JCAMP-DX=4.24
##DATA TYPE=RAMAN SPECTRUM
##SOURCE REFERENCE=http://solsa.crystallography.net/rod/2100023.rod
##OWNER=PUBLIC DOMAIN
##XUNITS=1/CM
##YUNITS=ARBITRARY UNITS
##FIRSTX=125.0837
##LASTX=1299.038
##XFACTOR=1
##YFACTOR=1
##NPOINTS=2436
##FIRSTY=0.0000000E+00
##LASTY=0.0000000E+00
##XYPOINTS=(XY..XY)
125.0837,0.0000000E+00 125.5658,0.1169430 126.0479,0.6279530 126.5300,1.239143 
127.0121,1.347046 127.4943,2.412506 127.9764,3.215801 128.4585,4.062843 
128.9406,5.425644 129.4227,5.937634 129.9048,7.353596 130.3869,9.002781 
130.8691,11.20238 131.3512,14.22808 131.8333,17.71040 132.3154,20.39231 
132.7975,22.04341 133.2796,22.79372 133.7618,22.66236 134.2439,21.61652 
134.7260,20.10447 135.2081,18.03020 135.6902,15.41641 136.1723,12.92081 
136.6545,10.87559 137.1366,9.421005 137.6187,8.154152 138.1008,7.047745 
138.5829,6.094383 139.0650,5.286541 139.5472,4.649712 140.0293,4.048244 
140.5114,3.358662 140.9935,2.523739 141.4756,1.845718 141.9577,1.380886 
142.4399,1.078518 142.9220,0.6940500 143.4041,0.1355090 143.8862,0.3606870 
144.3683,0.6099320 144.8504,0.4931530 145.3326,0.4076190 145.8147,0.4524380 
146.2968,0.6129910 146.7789,0.5682370 147.2610,0.1872020 147.7431,0.2812190 
148.2253,0.6296160 148.7074,0.7491040 149.1895,0.8989980 149.6716,1.104492 
150.1537,1.360329 150.6358,1.706112 151.1180,2.201485 151.6001,2.757969 
152.0822,3.284267 152.5643,3.684792 153.0464,4.130741 153.5285,4.700272 
154.0107,5.516769 154.4928,6.242825 154.9749,6.790134 155.4570,7.262760 
155.9391,7.704441 156.4212,8.191311 156.9034,8.593460 157.3855,8.876389 
157.8676,9.037891 158.3497,9.075115 158.8318,8.942265 159.3139,8.693195 
159.7961,8.418835 160.2782,8.070702 160.7603,7.757736 161.2424,7.550224 
161.7245,7.525974 162.2066,7.453682 162.6888,7.232578 163.1709,6.906822 
163.6530,6.573505 164.1351,6.152897 164.6172,5.806435 165.0993,5.655319 
165.5815,5.807735 166.0636,6.006248 166.5457,6.147629 167.0278,6.237892 
167.5099,6.297501 167.9921,6.293591 168.4742,6.282677 168.9563,6.320492 
169.4384,6.460194 169.9205,6.600128 170.4026,6.725357 170.8848,6.814007 
171.3669,6.764790 171.8490,6.419205 172.3311,5.934753 172.8132,5.506317 
173.2953,5.271454 173.7775,5.028618 174.2596,4.571030 174.7417,3.919529 
175.2238,3.226681 175.7059,2.550716 176.1880,1.918999 176.6702,1.382614 
177.1523,0.9835620 177.6344,0.6679880 178.1165,0.3543240 
178.5986,4.2732000E-02 179.0807,0.1939090 179.5629,0.2618330 
180.0450,0.2108270 180.5271,0.1528320 181.0092,7.8354001E-02 
181.4913,4.3945000E-02 181.9734,0.2257080 182.4556,0.6330410 182.9377,1.002235 
183.4198,0.9267040 183.9019,0.5096470 184.3840,0.1100500 184.8661,0.1449430 
185.3483,0.2861440 185.8304,0.3662300 186.3125,0.3762630 186.7946,0.3946150 
187.2767,0.5352520 187.7588,0.7765580 188.2409,0.9837910 188.7231,1.080608 
189.2052,1.099995 189.6873,1.166031 190.1694,1.285900 190.6515,1.423836 
191.1336,1.512840 191.6158,1.560310 192.0979,1.666653 192.5800,1.882980 
193.0621,2.198940 193.5442,2.562420 194.0263,2.990051 194.5085,3.428127 
194.9906,3.785980 195.4727,4.063354 195.9548,4.340630 196.4369,4.636200 
196.9190,4.951588 197.4012,5.324547 197.8833,5.759541 198.3654,6.239735 
198.8475,6.731831 199.3296,7.238712 199.8117,7.744411 200.2939,8.231339 
200.7760,8.696526 201.2581,9.224789 201.7402,9.842094 202.2223,10.44644 
202.7044,10.84782 203.1866,11.01380 203.6687,11.13008 204.1508,11.26455 
204.6329,11.42504 205.1150,11.63949 205.5971,11.93001 206.0793,12.22631 
206.5614,12.35625 207.0435,12.25020 207.5256,12.24671 208.0077,12.54372 
208.4898,13.20295 208.9720,13.76451 209.4541,14.19604 209.9362,14.55261 
210.4183,14.94113 210.9004,15.35438 211.3825,15.81102 211.8647,16.33780 
212.3468,16.95961 212.8289,17.52909 213.3110,18.02139 213.7931,18.47818 
214.2752,19.00890 214.7574,19.68034 215.2395,20.27473 215.7216,20.66851 
216.2037,20.77789 216.6858,20.99985 217.1679,21.39544 217.6501,21.87283 
218.1322,22.20351 218.6143,22.34249 219.0964,22.43558 219.5785,22.55109 
220.0606,22.71710 220.5428,22.81651 221.0249,22.82510 221.5070,22.77783 
221.9891,22.76344 222.4712,22.81047 222.9533,22.83560 223.4355,22.79858 
223.9176,22.67518 224.3997,22.55676 224.8818,22.44961 225.3639,22.34381 
225.8460,22.22909 226.3282,22.16988 226.8103,21.99238 227.2924,21.61707 
227.7745,20.97685 228.2566,20.29255 228.7387,19.51641 229.2209,18.71539 
229.7030,18.09081 230.1851,17.78102 230.6672,17.41243 231.1493,16.80048 
231.6314,15.79533 232.1136,14.95934 232.5957,14.36422 233.0778,13.90350 
233.5599,13.35614 234.0420,12.66390 234.5241,11.99667 235.0063,11.40840 
235.4884,10.88862 235.9705,10.46214 236.4526,10.17606 236.9347,9.958218 
237.4168,9.656834 237.8990,9.207890 238.3811,8.811726 238.8632,8.559116 
239.3453,8.500263 239.8274,8.361095 240.3095,8.086109 240.7917,7.762520 
241.2738,7.559387 241.7559,7.521313 242.2380,7.515965 242.7201,7.504864 
243.2022,7.487751 243.6844,7.507923 244.1665,7.573154 244.6486,7.654396 
245.1307,7.698341 245.6128,7.643394 246.0949,7.655155 246.5771,7.817032 
247.0592,8.198544 247.5413,8.449127 248.0234,8.494148 248.5055,8.453892 
248.9876,8.521969 249.4697,8.765018 249.9519,8.976967 250.4340,9.114033 
250.9161,9.180195 251.3982,9.185238 251.8803,9.074318 252.3624,8.922832 
252.8446,8.839012 253.3267,8.821171 253.8088,8.884022 254.2909,9.073093 
254.7730,9.425842 255.2551,9.610458 255.7373,9.582451 256.2194,9.433887 
256.7015,9.263294 257.1836,9.042233 257.6657,8.859562 258.1479,8.732407 
258.6300,8.661358 259.1121,8.660046 259.5942,8.786335 260.0763,8.914047 
260.5584,8.898834 261.0406,8.689785 261.5227,8.467636 262.0048,8.265965 
262.4869,8.086670 262.9690,7.925934 263.4511,7.811878 263.9333,7.678329 
264.4154,7.448681 264.8975,7.075996 265.3796,6.746052 265.8617,6.494972 
266.3438,6.319527 266.8260,6.166050 267.3081,6.060413 267.7902,5.932629 
268.2723,5.723747 268.7544,5.415127 269.2365,5.075737 269.7187,4.682457 
270.2008,4.262520 270.6829,4.008362 271.1650,3.967358 271.6471,3.977360 
272.1292,3.922756 272.6114,3.795170 273.0935,3.644997 273.5756,3.468182 
274.0577,3.277515 274.5398,3.103043 275.0219,2.932045 275.5041,2.819332 
275.9862,2.831573 276.4683,2.990887 276.9504,3.077484 277.4325,3.061203 
277.9146,2.969734 278.3968,2.864525 278.8788,2.743671 279.3610,2.623287 
279.8431,2.514400 280.3252,2.419128 280.8073,2.327820 281.2894,2.242416 
281.7715,2.159508 282.2537,2.072029 282.7358,1.980225 283.2179,1.886959 
283.7000,1.788631 284.1821,1.685741 284.6642,1.604290 285.1464,1.549484 
285.6285,1.501717 286.1106,1.425411 286.5927,1.319782 287.0748,1.221386 
287.5569,1.136906 288.0391,1.068901 288.5212,1.042274 289.0033,1.058933 
289.4854,1.105106 289.9675,1.225307 290.4496,1.402035 290.9318,1.423222 
291.4139,1.088364 291.8960,0.5475850 292.3781,0.3362350 292.8602,0.4740750 
293.3423,0.7271180 293.8245,0.9455010 294.3066,1.104582 294.7887,1.071829 
295.2708,0.7043650 295.7529,0.1797160 296.2350,0.1139550 296.7172,0.1769160 
297.1993,0.1915070 297.6814,0.3494870 298.1635,0.5852510 298.6456,0.6941530 
299.1277,0.5656410 299.6099,0.3613610 300.0920,0.3526100 300.5741,0.5146870 
301.0562,0.6784100 301.5383,0.7242110 302.0204,0.6899600 302.5026,0.6417680 
302.9847,0.5837330 303.4668,0.5315880 303.9489,0.5130250 304.4310,0.5190090 
304.9131,0.5136260 305.3953,0.4949970 305.8774,0.4462050 306.3595,0.3216250 
306.8416,8.9671999E-02 307.3237,0.1133460 307.8058,0.1068800 
308.2880,2.5276000E-02 308.7701,9.4208002E-02 309.2522,3.8295999E-02 
309.7343,0.2503050 310.2164,0.4344060 310.6985,0.5823900 311.1807,0.7201610 
311.6628,0.8647880 312.1449,1.013428 312.6270,1.156120 313.1091,1.251045 
313.5912,1.370159 314.0734,1.575790 314.5555,1.868694 315.0376,2.166561 
315.5197,2.454220 316.0018,2.716576 316.4839,2.929832 316.9661,2.970150 
317.4482,3.070942 317.9303,3.374832 318.4124,3.848789 318.8945,4.295757 
319.3766,4.612595 319.8588,4.886623 320.3409,5.179783 320.8230,5.566441 
321.3051,5.896450 321.7872,6.138763 322.2693,6.295078 322.7515,6.370827 
323.2336,6.216145 323.7157,6.095219 324.1978,6.138699 324.6799,6.409737 
325.1620,6.749969 325.6442,7.246017 326.1263,7.784595 326.6084,8.164787 
327.0905,8.220917 327.5726,8.249748 328.0547,8.333965 328.5369,8.482906 
329.0190,8.663971 329.5011,8.869514 329.9832,9.108383 330.4653,9.392956 
330.9474,9.804237 331.4296,10.16333 331.9117,10.46230 332.3938,10.70420 
332.8759,10.77813 333.3580,10.56108 333.8401,10.29413 334.3223,10.17800 
334.8044,10.30086 335.2865,10.36851 335.7686,9.825428 336.2507,10.09932 
336.7328,10.19773 337.2150,10.13005 337.6971,9.399906 338.1792,9.524502 
338.6613,9.306118 339.1434,9.073353 339.6255,9.317352 340.1077,8.681927 
340.5898,8.917744 341.0719,8.805367 341.5540,8.851910 342.0361,8.553364 
342.5182,8.360855 343.0004,8.535557 343.4825,8.308422 343.9646,8.307934 
344.4467,8.099937 344.9288,7.688354 345.4109,7.353207 345.8931,7.199139 
346.3752,7.192169 346.8573,7.212822 347.3394,7.256176 347.8215,7.351089 
348.3036,7.584946 348.7858,7.909950 349.2679,8.099834 349.7500,8.030994 
350.2321,7.867958 350.7142,7.919548 351.1964,8.175846 351.6785,8.478283 
352.1606,8.712456 352.6427,8.903511 353.1248,9.114773 353.6069,9.366997 
354.0891,9.588207 354.5712,9.718220 355.0533,9.771107 355.5354,9.771881 
356.0175,9.750858 356.4996,9.680359 356.9818,9.544296 357.4639,9.346176 
357.9460,9.065605 358.4281,8.579075 358.9102,8.016117 359.3923,7.578785 
359.8745,7.532284 360.3566,7.492565 360.8387,7.184391 361.3208,6.624489 
361.8029,6.092125 362.2850,5.707146 362.7672,5.407791 363.2493,5.144909 
363.7314,4.933239 364.2135,4.732098 364.6956,4.506557 365.1777,4.280254 
365.6599,4.123127 366.1420,4.068077 366.6241,4.067959 367.1062,4.112789 
367.5883,4.206860 368.0704,4.335613 368.5526,4.486832 369.0347,4.670055 
369.5168,4.904499 369.9989,5.130199 370.4810,5.469307 370.9631,5.979176 
371.4453,6.685535 371.9274,7.358715 372.4095,7.940159 372.8916,8.525593 
373.3737,9.211113 373.8558,10.06363 374.3380,10.88519 374.8201,11.65326 
375.3022,12.37728 375.7843,13.08653 376.2664,13.79404 376.7485,14.47729 
377.2307,15.15253 377.7128,15.85354 378.1949,16.36167 378.6770,16.63296 
379.1591,16.74693 379.6412,16.88071 380.1234,17.05913 380.6055,17.04367 
381.0876,16.67271 381.5697,15.99854 382.0518,15.34023 382.5339,14.70085 
383.0161,14.08699 383.4982,13.52094 383.9803,12.99329 384.4624,12.48065 
384.9445,11.97179 385.4266,11.47745 385.9088,11.00940 386.3909,10.56850 
386.8730,10.15216 387.3551,9.759415 387.8372,9.385883 388.3193,9.018520 
388.8015,8.649467 389.2836,8.302971 389.7657,7.992828 390.2478,7.721405 
390.7299,7.500118 391.2120,7.380661 391.6942,7.283550 392.1763,7.165318 
392.6584,7.026054 393.1405,6.811455 393.6226,6.457596 394.1047,6.026718 
394.5869,5.588882 395.0690,5.227493 395.5511,4.801937 396.0332,4.227955 
396.5153,3.531704 396.9974,2.854183 397.4796,2.161835 397.9617,1.548725 
398.4438,1.081905 398.9259,0.9084820 399.4080,0.6328130 399.8901,9.3418002E-02 
400.3723,0.5522960 400.8544,1.007175 401.3365,1.141586 401.8186,1.240837 
402.3007,1.385990 402.7828,1.592007 403.2649,1.711113 403.7470,1.728119 
404.2292,1.674438 404.7113,1.579929 405.1934,1.449722 405.6755,1.256905 
406.1576,0.9804420 406.6397,0.6464040 407.1219,0.3638530 407.6040,0.1529010 
408.0861,8.3424002E-02 408.5682,0.4129100 409.0503,0.8272930 409.5324,1.237179 
410.0146,1.627846 410.4967,2.043159 410.9788,2.562599 411.4609,3.172874 
411.9430,3.792900 412.4251,4.374775 412.9073,4.947884 413.3894,5.641613 
413.8715,6.456047 414.3536,7.237049 414.8357,7.840702 415.3178,8.336914 
415.8000,8.841553 416.2821,9.378731 416.7642,9.951431 417.2463,10.63086 
417.7284,11.36197 418.2105,11.97569 418.6927,12.33886 419.1748,12.59067 
419.6569,12.81038 420.1390,12.99828 420.6211,13.24717 421.1032,13.65534 
421.5854,14.13176 422.0675,14.57763 422.5496,14.88632 423.0317,15.24956 
423.5138,15.77208 423.9959,16.41961 424.4781,17.00753 424.9602,17.33987 
425.4423,17.71893 425.9244,18.30108 426.4065,19.18746 426.8886,20.07697 
427.3708,20.92858 427.8529,21.80667 428.3350,22.81840 428.8171,23.98833 
429.2992,25.24969 429.7813,26.61545 430.2635,28.07459 430.7456,29.45734 
431.2277,30.71877 431.7098,31.98251 432.1919,33.35707 432.6740,34.85079 
433.1562,36.37064 433.6383,37.94106 434.1204,39.47993 434.6025,40.88483 
435.0846,42.15200 435.5667,43.11226 436.0489,43.68624 436.5310,43.89067 
437.0131,43.73626 437.4952,43.21320 437.9773,42.50468 438.4594,41.81031 
438.9416,41.06183 439.4237,40.09760 439.9058,38.74904 440.3879,37.31457 
440.8700,36.06031 441.3521,34.95001 441.8343,33.85466 442.3164,32.58524 
442.7985,31.37857 443.2806,30.45408 443.7627,29.90989 444.2448,29.36777 
444.7270,28.64638 445.2091,27.85452 445.6912,27.12449 446.1733,26.39513 
446.6554,25.82220 447.1375,25.49293 447.6197,25.38807 448.1018,25.31274 
448.5839,25.14616 449.0660,25.09740 449.5481,25.26926 450.0302,25.73468 
450.5124,26.27264 450.9945,26.85892 451.4766,27.53002 451.9587,28.36271 
452.4408,29.42554 452.9229,30.47655 453.4051,31.45998 453.8872,32.37958 
454.3693,33.37060 454.8514,34.47552 455.3335,35.48208 455.8156,36.25498 
456.2978,36.79105 456.7799,37.10412 457.2620,37.19756 457.7441,37.06850 
458.2262,36.62466 458.7083,35.91215 459.1905,35.12570 459.6726,34.57803 
460.1547,33.91321 460.6368,32.48663 461.1189,30.31349 461.6010,28.13156 
462.0832,26.49422 462.5653,25.12509 463.0474,23.73593 463.5295,22.20846 
464.0116,20.70515 464.4937,19.29813 464.9759,17.97562 465.4580,16.75895 
465.9401,15.67070 466.4222,14.66715 466.9043,13.74580 467.3864,12.90797 
467.8686,12.13887 468.3507,11.46463 468.8328,10.84121 469.3149,10.23295 
469.7970,9.580368 470.2791,9.043755 470.7613,8.672787 471.2434,8.416199 
471.7255,8.146946 472.2076,7.876694 472.6897,7.557861 473.1718,7.122169 
473.6540,6.571419 474.1361,6.236588 474.6182,6.172287 475.1003,6.126770 
475.5824,5.795750 476.0645,5.214718 476.5467,4.701122 477.0288,4.286880 
477.5109,4.016705 477.9930,4.080250 478.4751,4.400757 478.9572,4.612125 
479.4394,4.376373 479.9215,3.974091 480.4036,3.774372 480.8857,3.797695 
481.3678,3.856773 481.8499,3.791641 482.3321,3.705116 482.8142,3.715187 
483.2963,3.905849 483.7784,4.129429 484.2605,4.359081 484.7426,4.579128 
485.2248,4.748829 485.7069,4.852501 486.1890,4.908791 486.6711,4.914722 
487.1532,4.858837 487.6353,4.811249 488.1175,4.802998 488.5996,4.779629 
489.0817,4.695919 489.5638,4.537697 490.0459,4.355137 490.5280,4.141308 
491.0102,3.913132 491.4923,3.723896 491.9744,3.589275 492.4565,3.400967 
492.9386,3.090603 493.4207,2.674587 493.9029,2.252079 494.3850,1.811596 
494.8671,1.440239 495.3492,1.246895 495.8313,1.185677 496.3134,1.128197 
496.7956,1.056267 497.2777,0.9613490 497.7598,0.8008690 498.2419,0.6081200 
498.7240,0.4719660 499.2061,0.4325900 499.6883,0.4655910 500.1704,0.5718380 
500.6525,0.7545050 501.1346,0.9621050 501.6167,1.113541 502.0988,1.294189 
502.5810,1.566860 503.0631,1.956299 503.5452,2.401367 504.0273,2.951485 
504.5094,3.558716 504.9915,4.114960 505.4737,4.634861 505.9558,5.045063 
506.4379,5.289413 506.9200,5.378357 507.4021,5.562157 507.8842,5.905342 
508.3664,6.243717 508.8485,6.466854 509.3306,6.565273 509.8127,6.549557 
510.2948,6.403793 510.7769,6.169037 511.2591,5.916759 511.7412,5.649776 
512.2233,5.345760 512.7054,4.972740 513.1875,4.577251 513.6696,4.185081 
514.1517,3.800537 514.6339,3.493053 515.1160,3.411270 515.5981,3.376457 
516.0802,3.196705 516.5623,2.818470 517.0444,2.459446 517.5266,2.209988 
518.0087,2.039436 518.4908,1.913277 518.9729,1.874779 519.4550,1.819820 
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521.8656,1.881016 522.3477,2.146011 522.8298,2.427303 523.3120,2.710320 
523.7941,2.985237 524.2762,3.273388 524.7583,3.553631 525.2404,3.821049 
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527.6510,6.827526 528.1331,7.150883 528.6152,7.662098 529.0974,8.320511 
529.5795,9.134605 530.0616,10.09146 530.5437,11.00627 531.0258,11.73556 
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535.3649,17.93527 535.8470,18.23884 536.3291,18.16989 536.8112,18.13409 
537.2933,18.18347 537.7755,18.18567 538.2576,18.10643 538.7397,17.95978 
539.2218,17.56585 539.7039,16.87747 540.1860,16.08707 540.6682,15.42701 
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543.0787,11.98753 543.5609,11.05201 544.0430,10.21339 544.5251,9.645622 
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600.9327,9.839642 601.4149,10.30372 601.8970,10.63171 602.3791,11.00586 
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624.0743,6.130272 624.5565,5.889294 625.0386,5.666924 625.5207,5.405331 
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627.9313,4.839577 628.4134,4.442112 628.8955,4.128159 629.3776,3.992954 
629.8597,3.953362 630.3419,3.869133 630.8240,3.749279 631.3061,3.634987 
631.7882,3.547905 632.2703,3.476017 632.7524,3.431461 633.2346,3.395596 
633.7167,3.286907 634.1988,2.957348 634.6809,2.638672 635.1630,2.486736 
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637.5736,2.235992 638.0557,2.128513 638.5378,2.056667 639.0200,2.035133 
639.5021,2.029255 639.9842,1.970798 640.4663,1.851597 640.9484,1.769073 
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653.0013,0.9771610 653.4835,0.9656220 653.9656,0.9466780 654.4477,0.8462260 
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710.8553,0.3942870 711.3374,0.4920650 711.8195,0.2796020 
712.3016,4.0000000E-06 712.7838,5.7838000E-02 713.2659,8.8802002E-02 
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752.3173,0.9546510 752.7994,0.3442000 753.2816,0.8887790 753.7637,0.9341320 
754.2458,0.4658200 754.7279,0.9632340 755.2100,0.5535430 755.6921,0.4747660 
756.1743,0.6405490 756.6564,0.5525090 757.1385,0.8595120 757.6206,0.7862360 
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760.0312,0.4676130 760.5133,0.5738720 760.9954,0.6314470 761.4775,0.5960310 
761.9597,0.5403630 762.4418,0.6152880 762.9239,0.7892990 763.4060,0.9282800 
763.8881,0.9842220 764.3702,1.003464 764.8524,1.016190 765.3345,1.021992 
765.8166,1.020290 766.2987,0.9907380 766.7808,0.9747050 767.2629,0.9762690 
767.7451,0.9984820 768.2272,1.055412 768.7093,1.158787 769.1914,1.255890 
769.6735,1.342110 770.1556,1.404598 770.6378,1.408146 771.1199,1.364075 
771.6020,1.312397 772.0841,1.256672 772.5662,1.215023 773.0483,1.216614 
773.5305,1.245819 774.0126,1.262253 774.4947,1.213699 774.9768,1.194374 
775.4589,1.259365 775.9410,1.375488 776.4232,1.418846 776.9053,1.369007 
777.3874,1.320602 777.8695,1.319592 778.3516,1.332012 778.8337,1.217480 
779.3159,1.008129 779.7980,0.8912810 780.2801,1.053078 780.7622,1.286800 
781.2443,1.448448 781.7264,1.535023 782.2086,1.542534 782.6907,1.364155 
783.1728,1.220238 783.6549,1.203510 784.1370,1.288151 784.6191,1.312889 
785.1013,1.265469 785.5834,1.208717 786.0655,1.147537 786.5476,1.107109 
787.0297,1.205563 787.5118,1.417942 787.9940,1.568321 788.4761,1.509449 
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790.8867,1.267910 791.3688,1.326454 791.8509,1.346588 792.3330,1.332085 
792.8151,1.331757 793.2972,1.319973 793.7794,1.322376 794.2615,1.389088 
794.7436,1.456402 795.2257,1.386723 795.7078,1.207054 796.1899,1.088020 
796.6721,1.255566 797.1542,1.423466 797.6363,1.337341 798.1184,1.000526 
798.6005,0.8227880 799.0826,0.9807550 799.5648,1.135315 800.0469,1.154461 
800.5290,1.053524 801.0111,0.9821240 801.4932,0.9401550 801.9753,0.9370380 
802.4575,1.034481 802.9396,1.149361 803.4217,1.094608 803.9038,0.9079930 
804.3859,0.7953680 804.8680,0.9589390 805.3502,1.152012 805.8323,1.244617 
806.3144,1.215183 806.7965,1.192238 807.2786,1.211472 807.7607,1.201649 
808.2429,1.105209 808.7250,0.9538880 809.2071,0.9305650 809.6892,1.028152 
810.1713,1.129353 810.6534,1.164600 811.1356,1.156288 811.6177,1.131264 
812.0998,1.097672 812.5819,1.023548 813.0640,0.7672580 813.5461,0.6033710 
814.0283,0.7113420 814.5104,1.060188 814.9925,1.263294 815.4746,1.306618 
815.9567,1.252052 816.4388,1.063553 816.9210,0.8161320 817.4031,0.8175580 
817.8852,1.033161 818.3673,1.204739 818.8494,1.125114 819.3315,0.9804690 
819.8137,0.8796010 820.2958,0.8310510 820.7779,0.8570520 821.2600,1.084400 
821.7421,1.241825 822.2242,1.223423 822.7064,1.073120 823.1885,1.017136 
823.6706,1.053200 824.1527,1.061764 824.6348,0.9778330 825.1169,0.8682020 
825.5991,0.8495750 826.0812,0.9022710 826.5633,0.9563790 827.0454,0.9732060 
827.5275,0.9716450 828.0096,0.9637070 828.4918,0.9635770 828.9739,0.9760860 
829.4560,1.029610 829.9381,1.010624 830.4202,0.8449290 830.9023,0.6094930 
831.3845,0.5573730 831.8666,0.6654820 832.3487,0.7594180 832.8308,0.7334630 
833.3129,0.6676370 833.7950,0.6311380 834.2772,0.6254840 834.7593,0.6543500 
835.2414,0.8398550 835.7235,0.9079060 836.2056,0.7190550 836.6877,0.4017940 
837.1699,0.3147930 837.6520,0.4904940 838.1341,0.3135640 838.6162,0.7116510 
839.0983,0.9131240 839.5804,0.9488330 840.0626,0.3223530 840.5447,0.5509190 
841.0268,0.4368060 841.5089,0.3086200 841.9910,0.6574860 842.4731,0.1272540 
842.9553,0.4685250 843.4374,0.4618950 843.9195,0.6144710 844.4016,0.4222410 
844.8837,0.3364910 845.3658,0.5956310 845.8480,0.6637650 846.3301,0.4317890 
846.8122,0.5944020 847.2943,5.1968001E-02 847.7764,0.1281850 
848.2585,0.4713100 848.7407,0.2565840 849.2228,0.4254110 849.7049,0.4481350 
850.1870,0.1930390 850.6691,0.3202360 851.1512,0.3341870 851.6334,0.1645810 
852.1155,0.3089870 852.5976,6.2366001E-02 853.0797,0.1001930 
853.5618,1.7445000E-02 854.0439,0.1184840 854.5261,0.1862750 
855.0082,0.1569060 855.4903,8.1192002E-02 855.9724,5.4343998E-02 
856.4545,0.2020950 856.9366,0.3194160 857.4188,0.3955230 857.9009,0.4908260 
858.3830,0.6340220 858.8651,0.7243960 859.3472,0.6492650 859.8293,0.4442480 
860.3115,0.2213100 860.7936,1.3691000E-02 861.2757,0.1687810 
861.7578,9.9651001E-02 862.2399,2.0267000E-02 862.7220,1.7506000E-02 
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1220.935,0.8574560 1221.417,0.6153910 1221.899,0.3766670 1222.381,0.4650340 
1222.863,0.6751480 1223.345,0.7526360 1223.827,0.6791570 1224.309,0.6009520 
1224.792,0.5179790 1225.274,0.4680180 1225.756,0.5192950 1226.238,0.5509490 
1226.720,0.4198530 1227.202,0.2574540 1227.684,0.2315140 1228.166,0.3554120 
1228.649,0.4549830 1229.131,0.5355490 1229.613,0.5936470 1230.095,0.6401330 
1230.577,0.6419330 1231.059,0.5441170 1231.541,0.4121440 1232.023,0.3071210 
1232.505,0.2244570 1232.988,0.3226700 1233.470,0.5847400 1233.952,0.7562870 
1234.434,0.5609860 1234.916,0.3737300 1235.398,0.4753490 1235.880,0.6395190 
1236.362,0.5788420 1236.844,0.3080480 1237.327,0.1841930 1237.809,0.2198520 
1238.291,0.2580380 1238.773,0.2032740 1239.255,0.1496580 1239.737,0.1609800 
1240.219,0.1588860 1240.701,3.6316000E-02 1241.184,0.1428870 
1241.666,1.5697001E-02 1242.148,0.3880690 1242.630,0.6438900 
1243.112,0.4191440 1243.594,0.1887130 1244.076,5.5794001E-02 
1244.558,1.4488000E-02 1245.041,0.1549450 1245.523,0.4098930 
1246.005,0.5170290 1246.487,0.4778630 1246.969,0.4023360 1247.451,0.2460370 
1247.933,0.2089080 1248.415,0.3965760 1248.897,0.6095850 1249.380,0.5780750 
1249.862,0.3939860 1250.344,0.3385010 1250.826,0.4174230 1251.308,0.4803700 
1251.790,0.4149130 1252.272,0.3771290 1252.754,0.4045750 1253.236,0.4342080 
1253.719,0.3967060 1254.201,0.3090670 1254.683,0.1528470 
1255.165,3.9848000E-02 1255.647,0.1022720 1256.129,0.1167110 
1256.611,0.2772410 1257.093,0.3455350 1257.576,0.3501210 1258.058,0.3172680 
1258.540,0.2486840 1259.022,0.1109160 1259.504,5.9547000E-02 
1259.986,7.2319001E-02 1260.468,0.1874470 1260.950,0.3214610 
1261.432,0.2666020 1261.915,0.1816330 1262.397,0.2158470 1262.879,0.3061180 
1263.361,0.4120710 1263.843,0.5117680 1264.325,0.5255050 1264.807,0.3985330 
1265.289,0.4621540 1265.771,0.7766230 1266.254,1.010090 1266.736,0.7579120 
1267.218,0.4051170 1267.700,0.2389760 1268.182,0.2405590 1268.664,0.3198590 
1269.146,0.4872890 1269.628,0.5996890 1270.111,0.6436650 1270.593,0.6330180 
1271.075,0.6512870 1271.557,0.6737370 1272.039,0.7624050 1272.521,0.8377760 
1273.003,0.6628040 1273.485,0.2710570 1273.968,0.1338270 1274.450,0.2793010 
1274.932,0.4351270 1275.414,0.4537200 1275.896,0.4305460 1276.378,0.4009320 
1276.860,0.3547360 1277.342,0.2253570 1277.824,5.3963002E-02 
1278.307,1.8524000E-02 1278.789,9.1918997E-02 1279.271,0.2049870 
1279.753,0.3987200 1280.235,0.5074310 1280.717,0.3850290 1281.199,0.2141650 
1281.681,0.2048570 1282.163,0.3062250 1282.646,0.4600640 1283.128,0.6359980 
1283.610,0.7094540 1284.092,0.6183010 1284.574,0.4674380 1285.056,0.2357030 
1285.538,4.9628999E-02 1286.020,4.6928000E-02 1286.503,0.1571270 
1286.985,0.3469960 1287.467,0.5730590 1287.949,0.6608050 1288.431,0.5594940 
1288.913,0.4626010 1289.395,0.4188690 1289.877,0.3912700 1290.359,0.3500820 
1290.842,0.2978630 1291.324,0.2315220 1291.806,0.1578520 
1292.288,7.9917997E-02 1292.770,2.2854000E-02 1293.252,8.3999999E-05 
1293.734,0.1425900 1294.216,0.2606390 1294.698,0.2218630 1295.181,0.1709100 
1295.663,0.2076190 1296.145,0.2136760 1296.627,0.1656490 
1297.109,7.2825998E-02 1297.591,1.2249000E-02 1298.073,1.1600000E-03 
1298.555,9.1899997E-03 1299.038,0.0000000E+00 
##MOLFORM=H42 Mg9 Mn1.882 O42 S2 Zn4
##RESOLUTION=4
##PRESSURE=100
##TEMPERATURE=26.85
##END=
