##TITLE=8100019
##JCAMP-DX=4.24
##DATA TYPE=RAMAN SPECTRUM
##SOURCE REFERENCE=http://solsa.crystallography.net/rod/8100019.rod
##OWNER=PUBLIC DOMAIN
##XUNITS=1/CM
##YUNITS=ARBITRARY UNITS
##FIRSTX=121.7089
##LASTX=1300.002
##XFACTOR=1
##YFACTOR=1
##NPOINTS=2445
##FIRSTY=0.0000000E+00
##LASTY=0.0000000E+00
##XYPOINTS=(XY..XY)
121.7089,0.0000000E+00 122.1910,1.2733000E-02 122.6731,0.2179680 
123.1552,0.8827630 123.6373,1.844173 124.1194,2.961948 124.6016,4.104458 
125.0837,5.461842 125.5658,6.812790 126.0479,7.390800 126.5300,7.232048 
127.0121,7.060200 127.4943,7.499229 127.9764,8.433659 128.4585,10.58360 
128.9406,12.76136 129.4227,14.08759 129.9048,14.60091 130.3869,14.60462 
130.8691,14.12149 131.3512,12.99448 131.8333,11.05406 132.3154,8.668884 
132.7975,6.328712 133.2796,4.137604 133.7618,2.103119 134.2439,0.1378330 
134.7260,1.484360 135.2081,2.273933 135.6902,2.235733 136.1723,1.782532 
136.6545,1.146645 137.1366,0.3366850 137.6187,1.032127 138.1008,3.266129 
138.5829,5.770798 139.0650,7.223579 139.5472,7.543945 140.0293,7.172722 
140.5114,6.180275 140.9935,4.338974 141.4756,2.918465 141.9577,2.055862 
142.4399,1.674591 142.9220,1.426285 143.4041,1.250351 143.8862,1.295868 
144.3683,1.687683 144.8504,2.485329 145.3326,3.471138 145.8147,4.578537 
146.2968,5.829880 146.7789,7.308556 147.2610,9.074615 147.7431,11.02687 
148.2253,13.12946 148.7074,15.50337 149.1895,17.85664 149.6716,20.27975 
150.1537,22.88420 150.6358,24.64494 151.1180,24.57313 151.6001,24.08002 
152.0822,24.63042 152.5643,27.25082 153.0464,29.86633 153.5285,31.91146 
154.0107,33.04205 154.4928,34.84253 154.9749,37.92192 155.4570,41.57716 
155.9391,44.91682 156.4212,47.88358 156.9034,50.52829 157.3855,52.91864 
157.8676,55.11595 158.3497,56.82374 158.8318,58.02661 159.3139,58.72516 
159.7961,58.93293 160.2782,58.49899 160.7603,57.70319 161.2424,56.63838 
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171.3669,39.25572 171.8490,41.62053 172.3311,44.34570 172.8132,47.20047 
173.2953,50.19670 173.7774,53.23684 174.2596,56.25684 174.7417,59.26756 
175.2238,62.24776 175.7059,65.41586 176.1880,68.48956 176.6701,70.94488 
177.1523,72.01957 177.6344,72.82409 178.1165,74.75688 178.5986,77.79871 
179.0807,81.25529 179.5628,84.44688 180.0450,87.66446 180.5271,91.10306 
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188.7231,91.60343 189.2052,91.45021 189.6873,92.64363 190.1694,95.24310 
190.6515,98.95492 191.1336,103.6437 191.6158,109.2698 192.0979,115.2359 
192.5800,121.7216 193.0621,128.5225 193.5442,134.5788 194.0263,140.1900 
194.5085,144.4207 194.9906,145.9510 195.4727,144.7943 195.9548,141.5338 
196.4369,135.7609 196.9190,127.6357 197.4012,119.6914 197.8833,111.8185 
198.3654,104.3776 198.8475,98.11475 199.3296,92.99671 199.8117,88.98057 
200.2939,86.20437 200.7760,84.68288 201.2581,83.65111 201.7402,83.14062 
202.2223,83.07710 202.7044,83.62765 203.1866,85.00874 203.6687,85.78203 
204.1508,85.10001 204.6329,82.82073 205.1150,80.83492 205.5971,79.48045 
206.0793,78.04004 206.5614,74.87304 207.0435,69.60202 207.5256,64.21205 
208.0077,59.50368 208.4898,55.49274 208.9720,52.07074 209.4541,49.29260 
209.9362,47.04514 210.4183,45.17731 210.9004,43.82938 211.3825,42.48773 
211.8647,40.77580 212.3468,38.45427 212.8289,36.84025 213.3110,36.05965 
213.7931,35.91619 214.2752,36.04535 214.7574,36.56822 215.2395,37.07170 
215.7216,37.29308 216.2037,37.03951 216.6858,37.21616 217.1679,37.85690 
217.6500,38.91992 218.1322,40.34163 218.6143,42.26825 219.0964,44.28055 
219.5785,46.15961 220.0606,47.88970 220.5427,49.57629 221.0249,51.06750 
221.5070,52.58366 221.9891,54.60728 222.4712,57.22021 222.9533,60.22633 
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227.2924,87.13483 227.7745,89.08876 228.2566,90.48507 228.7387,91.30605 
229.2208,91.58444 229.7030,91.43899 230.1851,91.12172 230.6672,89.96519 
231.1493,87.52381 231.6314,83.11957 232.1135,79.28659 232.5957,76.24491 
233.0778,73.66885 233.5599,70.89130 234.0420,67.65885 234.5241,64.63737 
235.0062,62.11024 235.4884,60.20375 235.9705,58.47372 236.4526,56.72538 
236.9347,55.22162 237.4168,54.50134 237.8989,54.71732 238.3811,55.46960 
238.8632,56.71944 239.3453,58.75845 239.8274,60.38589 240.3095,61.35709 
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252.3624,51.38197 252.8446,48.14203 253.3267,45.33818 253.8088,42.71951 
254.2909,40.28426 254.7730,38.09261 255.2551,35.81486 255.7373,33.39331 
256.2194,30.83952 256.7015,28.16714 257.1836,25.11214 257.6657,22.55885 
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263.9332,5.868973 264.4153,5.148239 264.8975,4.421997 265.3796,3.599304 
265.8617,2.545380 266.3438,1.331596 266.8259,0.5765760 267.3080,0.4750820 
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273.0934,6.6044003E-02 273.5756,7.1456999E-02 274.0577,0.1838720 
274.5398,0.6159860 275.0219,1.486858 275.5040,2.317314 275.9861,2.713551 
276.4683,2.604607 276.9504,2.691383 277.4325,3.065380 277.9146,3.658169 
278.3967,4.302429 278.8788,4.991802 279.3610,5.768089 279.8431,6.663559 
280.3252,7.676018 280.8073,8.760777 281.2894,9.925148 281.7715,11.14945 
282.2537,12.40371 282.7358,13.69111 283.2179,14.98980 283.7000,16.24004 
284.1821,17.45678 284.6642,18.87183 285.1464,20.51340 285.6285,22.31029 
286.1106,24.25001 286.5927,26.33300 287.0748,28.23769 287.5569,29.82697 
288.0391,31.11737 288.5212,32.19099 289.0033,33.05161 289.4854,33.69864 
289.9675,34.16164 290.4496,34.43094 290.9318,34.40519 291.4139,34.04669 
291.8960,33.36214 292.3781,32.34716 292.8602,30.97602 293.3423,29.43278 
293.8245,27.83540 294.3066,26.19285 294.7887,24.53403 295.2708,22.86018 
295.7529,21.20052 296.2350,19.61891 296.7172,18.12331 297.1993,16.71725 
297.6814,15.48330 298.1635,14.33222 298.6456,12.99736 299.1277,11.23440 
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301.5383,6.679062 302.0204,5.459869 302.5026,4.666660 302.9847,4.542755 
303.4668,4.616154 303.9489,4.349689 304.4310,3.818409 304.9131,3.262379 
305.3953,2.711555 305.8774,2.266380 306.3595,2.145329 306.8416,2.464073 
307.3237,2.763142 307.8058,2.583157 308.2880,2.073936 308.7701,1.576042 
309.2522,1.155006 309.7343,0.8725620 310.2164,0.8972780 310.6985,1.289383 
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313.1091,0.4979740 313.5912,0.2732850 314.0734,0.3517110 314.5555,0.7463300 
315.0376,1.209690 315.5197,1.705418 316.0018,2.174374 316.4839,2.537025 
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318.8945,2.983665 319.3766,2.772230 319.8588,2.582706 320.3409,2.586533 
320.8230,3.062185 321.3051,3.418457 321.7872,3.455414 322.2693,3.244600 
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326.6084,2.158464 327.0905,1.436905 327.5726,0.8478950 328.0547,0.6336360 
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332.3938,1.260933 332.8759,1.457029 333.3580,2.132286 333.8401,2.940069 
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361.3208,13.00658 361.8029,13.29445 362.2850,13.97080 362.7671,14.74986 
363.2492,15.38696 363.7314,15.56591 364.2135,15.90582 364.6956,16.72845 
365.1777,17.88439 365.6598,18.90116 366.1419,19.53808 366.6241,20.10885 
367.1062,20.75241 367.5883,21.50193 368.0704,22.27954 368.5525,23.09548 
369.0346,23.93164 369.5168,24.76571 369.9989,25.44135 370.4810,26.21097 
370.9631,27.24517 371.4452,28.60503 371.9273,29.78426 372.4095,30.58045 
372.8916,31.30967 373.3737,32.26543 373.8558,33.59779 374.3379,34.87709 
374.8200,36.07881 375.3022,37.21283 375.7843,38.25793 376.2664,39.20765 
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380.6054,49.93881 381.0876,51.73144 381.5697,53.58631 382.0518,55.26470 
382.5339,56.70475 383.0160,58.09904 383.4981,59.57434 383.9803,61.16634 
384.4624,62.95038 384.9445,65.03670 385.4266,67.27390 385.9087,69.45094 
386.3908,71.51956 386.8730,73.49819 387.3551,75.31568 387.8372,77.13092 
388.3193,79.24555 388.8014,81.77845 389.2835,84.35325 389.7657,86.53802 
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446.1733,10.88913 446.6554,10.93485 447.1375,10.94738 447.6196,10.93454 
448.1017,10.99004 448.5839,11.05977 449.0660,11.25080 449.5481,11.65695 
450.0302,12.61668 450.5123,13.07306 450.9944,12.80786 451.4766,12.18638 
451.9587,11.82360 452.4408,11.85189 452.9229,11.76540 453.4050,11.39786 
453.8871,10.78448 454.3693,10.16561 454.8514,9.533329 455.3335,8.921589 
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463.0474,0.7736930 463.5295,1.186001 464.0116,1.601288 464.4937,2.089466 
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476.5466,19.17628 477.0287,21.03712 477.5109,22.92555 477.9930,25.22926 
478.4751,27.83638 478.9572,30.21255 479.4393,31.84486 479.9214,33.17986 
480.4036,34.82135 480.8857,36.81465 481.3678,38.69608 481.8499,40.03349 
482.3320,41.13818 482.8141,42.36799 483.2963,44.25271 483.7784,45.73240 
484.2605,46.06075 484.7426,45.65308 485.2247,45.53279 485.7068,46.27494 
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493.9028,47.37048 494.3849,46.13035 494.8671,44.71673 495.3492,43.89067 
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497.7598,36.40632 498.2419,34.88556 498.7240,33.23711 499.2061,30.94257 
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517.0444,0.1982460 517.5266,0.1388490 518.0087,0.1097450 
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526.2047,2.4026999E-02 526.6868,5.5479999E-03 527.1689,4.6512999E-02 
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585.5050,2.654354 585.9871,2.901148 586.4692,3.131129 586.9513,3.204146 
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599.0042,8.585928 599.4863,8.915731 599.9684,9.217340 600.4506,9.428235 
600.9327,9.640772 601.4148,9.921960 601.8969,10.31896 602.3790,10.62329 
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618.2889,5.926328 618.7710,5.778823 619.2531,5.601295 619.7352,5.299213 
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624.0743,3.777877 624.5564,3.999515 625.0385,4.227788 625.5206,4.174567 
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627.9312,3.330545 628.4133,2.421183 628.8954,1.853216 629.3776,1.913987 
629.8597,2.264634 630.3418,2.268684 630.8239,1.991927 631.3060,1.756893 
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633.7166,1.791529 634.1987,1.638073 634.6808,1.485762 635.1630,1.382242 
635.6451,1.336756 636.1272,1.301932 636.6093,1.230416 637.0914,1.209126 
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639.5020,1.895335 639.9841,1.647952 640.4662,1.201743 640.9484,0.9420560 
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647.2159,1.575674 647.6980,1.296269 648.1801,1.243589 648.6622,1.506813 
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651.0728,2.782730 651.5549,2.781014 652.0370,2.606897 652.5192,2.319231 
653.0013,2.089364 653.4834,1.935784 653.9655,1.898982 654.4476,2.157167 
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658.7867,1.818862 659.2688,1.992929 659.7509,2.402814 660.2330,2.676094 
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662.6436,2.638107 663.1257,2.922532 663.6078,3.194742 664.0900,3.226961 
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672.2859,1.849117 672.7681,2.119699 673.2502,2.298250 673.7323,2.030196 
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679.5177,0.1507690 679.9998,8.9442000E-02 680.4819,8.7869003E-02 
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688.6779,1.580812 689.1600,1.520037 689.6422,1.220120 690.1243,1.304173 
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696.3918,5.194887 696.8739,5.736509 697.3560,6.145281 697.8381,6.319202 
698.3203,6.695686 698.8024,7.370552 699.2845,8.104856 699.7666,8.634154 
700.2487,8.962803 700.7308,9.477933 701.2130,10.25016 701.6951,11.03497 
702.1772,11.54593 702.6593,11.88449 703.1414,12.24864 703.6235,12.66115 
704.1057,13.18689 704.5878,13.95001 705.0699,14.83522 705.5520,15.66378 
706.0341,16.32245 706.5162,17.02288 706.9984,17.84093 707.4805,18.70777 
707.9626,19.52228 708.4447,20.30293 708.9268,21.00290 709.4089,21.60633 
709.8911,22.11182 710.3732,22.45843 710.8553,22.66434 711.3374,22.90730 
711.8195,23.23269 712.3016,23.68350 712.7838,24.41654 713.2659,25.37328 
713.7480,26.18279 714.2301,26.56970 714.7122,26.84655 715.1943,27.23322 
715.6765,27.78859 716.1586,28.06752 716.6407,28.01429 717.1228,27.76408 
717.6049,27.36367 718.0870,26.79788 718.5692,26.21590 719.0513,25.60844 
719.5334,25.04167 720.0155,24.67434 720.4976,24.37611 720.9797,23.80488 
721.4619,22.88189 721.9440,21.92387 722.4261,21.21356 722.9082,20.58605 
723.3903,19.86446 723.8724,18.96114 724.3546,18.06049 724.8367,17.17743 
725.3188,16.32467 725.8009,15.51224 726.2830,14.75685 726.7651,13.98951 
727.2473,13.17867 727.7294,12.36648 728.2115,11.61200 728.6936,10.90933 
729.1757,10.27210 729.6578,9.738346 730.1400,9.213842 730.6221,8.526512 
731.1042,7.771000 731.5863,7.159212 732.0684,6.892978 732.5505,6.655057 
733.0327,6.307651 733.5148,5.894766 733.9969,5.621353 734.4790,5.655653 
734.9611,5.493765 735.4432,4.892653 735.9254,4.010056 736.4075,3.546388 
736.8896,3.496478 737.3717,3.475912 737.8538,3.234700 738.3359,2.916805 
738.8181,2.764540 739.3002,2.752079 739.7823,2.728761 740.2644,2.602406 
740.7465,2.447157 741.2286,2.308973 741.7108,2.196217 742.1929,2.042412 
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744.6035,0.8514030 745.0856,0.6438130 745.5677,0.5042740 746.0498,0.4634820 
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750.3889,0.1987490 750.8710,4.4601999E-02 751.3531,8.5611999E-02 
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758.1027,0.6771760 758.5848,0.5566580 759.0670,4.3352000E-02 
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761.4775,4.3682002E-02 761.9597,0.1506380 762.4418,0.1167460 
762.9239,7.9521000E-02 763.4060,0.1419560 763.8881,0.1119990 
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773.5305,0.5606610 774.0126,0.5385720 774.4947,0.3804560 774.9768,0.2983830 
775.4589,0.4321880 775.9410,0.6920780 776.4232,0.7251000 776.9053,0.4416320 
777.3874,0.2503910 777.8695,0.3235400 778.3516,0.5594790 778.8337,0.7049390 
779.3159,0.7644880 779.7980,0.7654720 780.2801,0.6746460 780.7622,0.5699830 
781.2443,0.4824990 781.7264,0.4306130 782.2086,0.4872670 782.6907,0.8814950 
783.1728,1.164035 783.6549,1.164697 784.1370,0.9253660 784.6191,0.6642820 
785.1012,0.3553270 785.5833,0.1506170 786.0654,0.1623580 786.5475,0.3127690 
787.0297,0.3841100 787.5118,0.3838930 787.9939,0.3577240 788.4760,0.2984180 
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798.1183,9.1163002E-02 798.6005,1.4899000E-02 799.0826,0.2104730 
799.5647,0.3831600 800.0468,0.3262600 800.5289,7.2025001E-02 
801.0110,2.4111001E-02 801.4932,4.8018999E-02 801.9753,0.1438720 
802.4574,0.2134490 802.9395,0.2300740 803.4216,8.3751000E-02 
803.9037,0.1913910 804.3859,0.3606150 804.8680,0.2171580 
805.3501,8.6040003E-03 805.8322,0.1510050 806.3143,0.2508520 
806.7964,0.3082610 807.2786,0.3272730 807.7607,0.2903510 808.2428,0.1389730 
808.7249,8.1853002E-02 809.2070,5.2239999E-02 809.6891,0.2236650 
810.1713,0.4994430 810.6534,0.6532070 811.1355,0.6925640 811.6176,0.5407900 
812.0997,0.2394860 812.5818,7.4722998E-02 813.0640,0.3288400 
813.5461,0.5767840 814.0282,0.6167170 814.5103,0.4656530 814.9924,0.3076140 
815.4745,0.1133180 815.9567,2.0706000E-02 816.4388,0.1624380 
816.9209,0.4615050 817.4030,0.5916050 817.8851,0.5667300 818.3672,0.5032710 
818.8494,0.4444000 819.3315,0.3973470 819.8136,0.3939730 820.2957,0.4241670 
820.7778,0.3732160 821.2599,2.3665000E-02 821.7421,0.1931240 
822.2242,8.0508001E-02 822.7063,0.2913050 823.1884,0.3714360 
823.6705,0.1284690 824.1526,8.3911002E-02 824.6348,5.5032998E-02 
825.1169,9.5155001E-02 825.5990,0.1860220 826.0811,0.2184040 
826.5632,0.2004070 827.0453,5.2459002E-02 827.5275,6.3242003E-02 
828.0096,6.9407001E-02 828.4917,2.9347001E-02 828.9738,0.1741110 
829.4559,0.4009020 829.9380,0.5941770 830.4202,0.7192700 830.9023,0.7870650 
831.3844,0.8206720 831.8665,0.8225190 832.3486,0.8133750 832.8307,0.7775210 
833.3129,0.7598840 833.7950,0.8096500 834.2771,0.9117410 834.7592,1.027245 
835.2413,1.266399 835.7234,1.365173 836.2056,1.214504 836.6877,0.9065810 
837.1698,0.6748760 837.6519,0.5246740 838.1340,0.4380900 838.6161,0.4101030 
839.0983,0.4384770 839.5804,0.5731680 840.0625,0.7659760 840.5446,0.8879870 
841.0267,0.7982330 841.5089,0.7301310 841.9910,0.8951910 842.4731,1.135376 
842.9552,1.128525 843.4373,0.6610550 843.9194,0.3717810 844.4016,0.3833710 
844.8837,0.5510800 845.3658,0.6183310 845.8479,0.6076990 846.3300,0.6699710 
846.8121,0.8790500 847.2943,1.068625 847.7764,1.024640 848.2585,0.8802480 
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850.6691,0.4281150 851.1512,0.3418790 851.6333,0.6306030 852.1154,0.8756120 
852.5975,1.037928 853.0797,1.108604 853.5618,1.020990 854.0439,0.8469330 
854.5260,0.7143930 855.0081,0.6499960 855.4902,0.6297810 855.9724,0.6754750 
856.4545,0.7399740 856.9366,0.7866850 857.4187,0.8215910 857.9008,0.7979400 
858.3829,0.6792580 858.8651,0.5955500 859.3472,0.7652240 859.8293,1.078510 
860.3114,1.018636 860.7935,0.5526930 861.2756,0.1371290 861.7578,0.1402470 
862.2399,0.2981050 862.7220,0.4236730 863.2041,0.4917030 863.6862,0.5344070 
864.1683,0.5413410 864.6505,0.5458480 865.1326,0.5622900 865.6147,0.5909870 
866.0968,0.6368630 866.5789,0.6981770 867.0610,0.7555660 867.5432,0.8004000 
868.0253,0.8293910 868.5074,0.8274920 868.9895,0.8020720 869.4716,0.7963850 
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881.5245,1.096729 882.0067,1.110250 882.4888,1.253345 882.9709,1.429694 
883.4530,1.527774 883.9351,1.504793 884.4172,1.439695 884.8994,1.294033 
885.3815,1.169296 885.8636,1.207393 886.3457,1.378551 886.8278,1.441968 
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896.9523,1.104156 897.4344,1.162991 897.9165,1.163793 898.3986,1.275968 
898.8807,1.509364 899.3629,1.676528 899.8450,1.696592 900.3271,1.644817 
900.8092,1.600498 901.2913,1.572021 901.7734,1.575263 902.2556,1.662303 
902.7377,1.718757 903.2198,1.654328 903.7019,1.568342 904.1840,1.588389 
904.6661,1.744943 905.1483,1.877785 905.6304,1.985033 906.1125,2.033956 
906.5946,1.924691 907.0767,1.740215 907.5588,1.631499 908.0410,1.630546 
908.5231,1.679992 909.0052,1.854687 909.4873,1.992884 909.9694,1.942798 
910.4515,1.659125 910.9337,1.555642 911.4158,1.675080 911.8979,1.833226 
912.3800,1.930991 912.8621,1.982229 913.3442,1.981258 913.8264,1.938402 
914.3085,1.939528 914.7906,2.068571 915.2727,2.214684 915.7548,2.356928 
916.2369,2.476824 916.7191,2.483730 917.2012,2.339904 917.6833,2.231630 
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925.8793,3.600064 926.3614,3.827336 926.8435,3.996892 927.3256,4.022578 
927.8077,3.984864 928.2899,3.920315 928.7720,3.820222 929.2541,3.703187 
929.7362,3.556537 930.2183,3.532164 930.7004,3.819363 931.1826,4.228843 
931.6647,4.228482 932.1468,3.898742 932.6289,3.589255 933.1110,3.483123 
933.5931,3.428763 934.0753,3.356779 934.5574,3.283001 935.0395,3.255804 
935.5216,3.292095 936.0037,3.321861 936.4858,3.333850 936.9680,3.332876 
937.4501,3.303243 937.9322,3.269428 938.4143,3.300767 938.8964,3.443020 
939.3785,3.559329 939.8607,3.549257 940.3428,3.502189 940.8249,3.507732 
941.3070,3.603008 941.7891,3.594661 942.2712,3.472065 942.7534,3.287164 
943.2355,3.038542 943.7176,2.770658 944.1997,2.575591 944.6818,2.450807 
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947.0924,2.410820 947.5745,2.545734 948.0566,2.536410 948.5388,2.514864 
949.0209,2.535064 949.5030,2.542461 949.9851,2.409444 950.4672,2.202509 
950.9493,2.069004 951.4315,2.140527 951.9136,2.151174 952.3957,1.907373 
952.8778,1.643471 953.3599,1.619582 953.8420,1.897067 954.3242,1.958155 
954.8063,1.758561 955.2884,1.479229 955.7705,1.202857 956.2526,0.9922180 
956.7347,0.9770090 957.2169,1.160622 957.6990,1.297667 958.1811,1.311732 
958.6632,1.247444 959.1453,1.078430 959.6274,0.8475930 960.1096,0.8120560 
960.5917,0.9715090 961.0738,1.119138 961.5559,1.199623 962.0380,1.189891 
962.5201,0.9880980 963.0023,0.6961100 963.4844,0.4983180 963.9665,0.5144210 
964.4486,0.5407090 964.9307,0.5991550 965.4128,0.6145050 965.8950,0.4395090 
966.3771,0.1067260 966.8592,4.8565000E-02 967.3413,1.1093000E-02 
967.8234,0.1554500 968.3055,0.4208690 968.7877,0.6177860 969.2698,0.5225190 
969.7519,9.1104001E-02 970.2340,0.2274030 970.7161,0.3991490 
971.1982,0.4836690 971.6804,0.4774630 972.1625,0.4179000 972.6446,0.4199310 
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975.0552,0.7050910 975.5373,0.8021340 976.0194,0.9367500 976.5015,1.148911 
976.9836,1.279004 977.4658,1.300864 977.9479,1.285290 978.4300,1.275369 
978.9121,1.298912 979.3942,1.456063 979.8763,1.764236 980.3585,1.992605 
980.8406,1.971075 981.3227,1.888146 981.8048,1.834987 982.2869,1.810845 
982.7690,1.793316 983.2511,1.784624 983.7332,1.756360 984.2153,1.678848 
984.6974,1.596238 985.1796,1.641221 985.6617,1.714836 986.1438,1.616951 
986.6259,0.9907510 987.1080,0.5945050 987.5901,0.6592300 988.0723,0.8482040 
988.5544,0.7960680 989.0365,0.5093640 989.5186,8.4600002E-02 
990.0007,0.4852640 990.4828,0.9502720 990.9650,0.9772510 991.4471,0.9087510 
991.9292,1.045477 992.4113,1.413652 992.8934,1.840214 993.3755,2.301212 
993.8577,2.833763 994.3398,3.430143 994.8219,4.114889 995.3040,5.031338 
995.7861,6.095797 996.2682,7.027027 996.7504,7.565842 997.2325,8.181028 
997.7146,9.122482 998.1967,10.27509 998.6788,11.50798 999.1609,12.83111 
999.6431,14.17567 1000.125,15.49414 1000.607,16.93211 1001.089,18.45312 
1001.572,20.22692 1002.054,22.69941 1002.536,25.79301 1003.018,28.77804 
1003.500,30.86005 1003.982,33.31776 1004.464,36.65597 1004.946,40.59244 
1005.428,44.24843 1005.911,47.64544 1006.393,50.62489 1006.875,53.17219 
1007.357,55.31018 1007.839,56.93544 1008.321,58.29324 1008.803,59.70590 
1009.285,61.21063 1009.768,62.76775 1010.250,64.21748 1010.732,66.06815 
1011.214,68.42646 1011.696,71.50689 1012.178,76.07514 1012.660,82.01423 
1013.142,88.77328 1013.624,95.71292 1014.107,103.6962 1014.589,113.3693 
1015.071,124.3699 1015.553,135.9898 1016.035,148.6492 1016.517,159.6864 
1016.999,168.9448 1017.481,175.1679 1017.964,176.8578 1018.446,174.3628 
1018.928,167.8696 1019.410,157.0880 1019.892,144.1866 1020.374,128.2828 
1020.856,112.0266 1021.338,96.06655 1021.820,80.73840 1022.303,68.36907 
1022.785,58.76371 1023.267,50.96188 1023.749,45.05736 1024.231,40.11620 
1024.713,35.59861 1025.195,31.65303 1025.677,28.51756 1026.160,26.28259 
1026.642,24.61811 1027.124,23.53539 1027.606,22.84946 1028.088,22.45687 
1028.570,22.32559 1029.052,22.42558 1029.534,22.74718 1030.016,23.13628 
1030.499,23.49070 1030.981,23.92623 1031.463,24.36559 1031.945,24.95297 
1032.427,26.22261 1032.909,28.14046 1033.391,30.40084 1033.873,33.00751 
1034.355,35.60067 1034.838,37.66916 1035.320,39.68765 1035.802,42.22647 
1036.284,45.62623 1036.766,48.84961 1037.248,51.80978 1037.730,54.77503 
1038.212,57.91555 1038.695,61.21180 1039.177,64.56710 1039.659,67.95963 
1040.141,71.17068 1040.623,73.83504 1041.105,76.61565 1041.587,79.70387 
1042.069,83.06540 1042.552,86.75861 1043.034,90.76336 1043.516,94.90876 
1043.998,99.24689 1044.480,103.6262 1044.962,107.4815 1045.444,111.6796 
1045.926,117.2130 1046.408,124.2963 1046.891,131.2832 1047.373,137.8869 
1047.855,144.9095 1048.337,152.6654 1048.819,160.9994 1049.301,169.6944 
1049.783,178.6602 1050.265,187.9277 1050.747,198.1044 1051.230,207.2575 
1051.712,215.0888 1052.194,221.2424 1052.676,225.5991 1053.158,228.2269 
1053.640,228.1879 1054.122,225.4794 1054.604,220.3687 1055.087,212.5981 
1055.569,202.8810 1056.051,191.2092 1056.533,177.9785 1057.015,164.2972 
1057.497,149.8347 1057.979,136.0763 1058.461,123.2167 1058.943,111.1696 
1059.426,99.72293 1059.908,89.07101 1060.390,79.36597 1060.872,70.63709 
1061.354,62.78191 1061.836,56.08864 1062.318,50.06982 1062.800,44.47064 
1063.282,39.42516 1063.765,35.47237 1064.247,32.50335 1064.729,29.66656 
1065.211,26.48020 1065.693,23.65717 1066.175,22.07674 1066.657,20.98295 
1067.139,19.35670 1067.622,16.87197 1068.104,15.07939 1068.586,14.09576 
1069.068,13.28274 1069.550,12.06467 1070.032,10.81271 1070.514,10.16312 
1070.996,9.983570 1071.479,9.814224 1071.961,9.574253 1072.443,9.229622 
1072.925,8.702835 1073.407,8.172527 1073.889,7.865360 1074.371,7.759880 
1074.853,7.741142 1075.335,7.796638 1075.818,7.985527 1076.300,8.314716 
1076.782,8.819679 1077.264,9.587490 1077.746,10.55309 1078.228,11.36722 
1078.710,12.01380 1079.192,12.89465 1079.674,14.15403 1080.157,15.59793 
1080.639,16.96141 1081.121,18.43993 1081.603,20.26611 1082.085,22.58062 
1082.567,25.02816 1083.049,27.59526 1083.531,30.30357 1084.013,33.09046 
1084.496,36.10432 1084.978,39.81116 1085.460,44.04575 1085.942,48.41542 
1086.424,52.74421 1086.906,57.29254 1087.388,62.07095 1087.870,67.12461 
1088.353,72.48870 1088.835,78.19346 1089.317,84.25594 1089.799,90.70178 
1090.281,97.54796 1090.763,104.9844 1091.245,112.6494 1091.727,120.2876 
1092.209,128.0231 1092.692,135.9222 1093.174,143.9253 1093.656,153.1675 
1094.138,164.0434 1094.620,175.1326 1095.102,185.2526 1095.584,194.5317 
1096.066,203.4257 1096.548,211.9796 1097.031,218.4149 1097.513,223.0126 
1097.995,224.6645 1098.477,222.8343 1098.959,217.9916 1099.441,210.7389 
1099.923,201.3044 1100.405,189.7347 1100.888,175.2539 1101.370,160.5742 
1101.852,146.3932 1102.334,132.4063 1102.816,118.0481 1103.298,103.6759 
1103.780,91.33352 1104.262,80.97373 1104.745,71.74722 1105.227,63.11294 
1105.709,55.40918 1106.191,48.79567 1106.673,43.18546 1107.155,38.48579 
1107.637,34.75517 1108.119,31.55396 1108.601,28.86734 1109.083,26.34438 
1109.566,23.42180 1110.048,20.68503 1110.530,18.77470 1111.012,17.57332 
1111.494,16.21124 1111.976,14.42254 1112.458,13.13198 1112.940,12.56464 
1113.423,12.32491 1113.905,11.89369 1114.387,11.42506 1114.869,11.21376 
1115.351,11.30813 1115.833,11.30204 1116.315,10.88844 1116.797,10.72820 
1117.280,11.08747 1117.762,11.78905 1118.244,12.43500 1118.726,13.05420 
1119.208,13.75364 1119.690,14.55889 1120.172,15.44887 1120.654,16.41835 
1121.136,17.47475 1121.619,18.63461 1122.101,19.88885 1122.583,21.14696 
1123.065,22.41084 1123.547,23.69824 1124.029,25.01098 1124.511,26.35820 
1124.993,27.87338 1125.475,29.35328 1125.958,30.51633 1126.440,31.30025 
1126.922,32.11902 1127.404,32.97306 1127.886,33.92385 1128.368,35.10269 
1128.850,36.32542 1129.332,37.60033 1129.815,38.75557 1130.297,39.36426 
1130.779,39.35643 1131.261,38.99092 1131.743,38.24414 1132.225,37.34297 
1132.707,36.48045 1133.189,35.64743 1133.672,34.89715 1134.154,34.19102 
1134.636,33.12694 1135.118,31.50656 1135.600,29.76220 1136.082,27.93676 
1136.564,26.10704 1137.046,24.33235 1137.528,22.63085 1138.010,21.05819 
1138.493,19.62699 1138.975,18.16261 1139.457,16.45587 1139.939,14.91407 
1140.421,13.75059 1140.903,12.82290 1141.385,11.58919 1141.867,10.14964 
1142.350,8.842812 1142.832,7.778419 1143.314,6.877268 1143.796,6.205765 
1144.278,5.610283 1144.760,4.991568 1145.242,4.348436 1145.724,3.724354 
1146.207,3.125534 1146.689,2.580616 1147.171,2.125883 1147.653,1.704939 
1148.135,1.298552 1148.617,0.9131200 1149.099,0.5623970 1149.581,0.2681080 
1150.063,0.1773950 1150.546,0.7799720 1151.028,1.236773 1151.510,1.212351 
1151.992,1.064859 1152.474,1.026337 1152.956,1.100054 1153.438,1.304026 
1153.920,1.713587 1154.402,1.941326 1154.885,1.943502 1155.367,1.911880 
1155.849,2.069214 1156.331,2.242353 1156.813,2.211054 1157.295,2.011568 
1157.777,1.840467 1158.259,1.706585 1158.742,1.641415 1159.224,1.671034 
1159.706,1.695303 1160.188,1.499907 1160.670,1.275427 1161.152,1.392534 
1161.634,1.846375 1162.116,2.043863 1162.599,1.741995 1163.081,1.459732 
1163.563,1.319565 1164.045,1.238983 1164.527,1.063164 1165.009,0.8567850 
1165.491,0.7822720 1165.973,0.8846680 1166.455,0.8534340 1166.938,0.5019840 
1167.420,0.1734200 1167.902,2.8150000E-03 1168.384,0.1065220 
1168.866,0.3008040 1169.348,0.5763020 1169.830,0.9331680 1170.312,1.416969 
1170.794,1.796572 1171.277,1.946922 1171.759,2.013357 1172.241,2.001167 
1172.723,1.977400 1173.205,2.217722 1173.687,2.671814 1174.169,3.173735 
1174.651,3.704895 1175.134,4.189869 1175.616,4.599520 1176.098,4.953035 
1176.580,5.249554 1177.062,5.497940 1177.544,5.752434 1178.026,6.022753 
1178.508,6.373260 1178.990,6.922968 1179.473,7.433359 1179.955,7.693966 
1180.437,7.955023 1180.919,8.473461 1181.401,9.239721 1181.883,9.909998 
1182.365,10.50198 1182.847,11.16922 1183.329,12.15614 1183.812,13.06870 
1184.294,13.61559 1184.776,14.01107 1185.258,14.51598 1185.740,15.13041 
1186.222,15.86609 1186.704,16.71587 1187.186,17.42204 1187.669,17.61726 
1188.151,17.82342 1188.633,18.41917 1189.115,19.22523 1189.597,19.93105 
1190.079,20.53439 1190.561,21.08387 1191.043,21.58789 1191.526,22.01810 
1192.008,22.22766 1192.490,22.46991 1192.972,23.00131 1193.454,23.68911 
1193.936,24.21381 1194.418,24.58016 1194.900,24.66059 1195.382,24.41750 
1195.865,24.10906 1196.347,24.00814 1196.829,23.88203 1197.311,23.44611 
1197.793,22.82152 1198.275,22.53318 1198.757,22.60824 1199.239,22.68828 
1199.721,22.72648 1200.204,22.60877 1200.686,22.07242 1201.168,21.46498 
1201.650,21.08976 1202.132,20.92741 1202.614,20.80172 1203.096,20.72528 
1203.578,20.47898 1204.061,19.96244 1204.543,19.45657 1205.025,19.21044 
1205.507,19.11554 1205.989,19.08669 1206.471,19.11408 1206.953,19.19984 
1207.435,19.34054 1207.917,19.60151 1208.400,20.03682 1208.882,20.40343 
1209.364,20.31154 1209.846,20.18009 1210.328,20.52271 1210.810,21.32683 
1211.292,21.76502 1211.774,21.80302 1212.256,21.95567 1212.739,22.45338 
1213.221,23.09925 1213.703,23.61776 1214.185,24.23269 1214.667,25.33901 
1215.149,26.98539 1215.631,28.02679 1216.113,28.42967 1216.596,29.07315 
1217.078,30.36385 1217.560,31.98499 1218.042,33.91826 1218.524,35.92745 
1219.006,37.67033 1219.488,39.06713 1219.970,40.85485 1220.453,43.06564 
1220.935,45.32849 1221.417,47.29592 1221.899,49.40924 1222.381,52.14639 
1222.863,55.19270 1223.345,58.11805 1223.827,60.84512 1224.309,64.01269 
1224.792,67.65282 1225.274,71.47774 1225.756,75.55123 1226.238,79.52971 
1226.720,82.94788 1227.202,86.26281 1227.684,90.03901 1228.166,94.34759 
1228.648,98.53848 1229.131,102.6293 1229.613,106.7049 1230.095,111.1216 
1230.577,115.2152 1231.059,118.6142 1231.541,121.3901 1232.023,123.7368 
1232.505,125.6550 1232.988,126.8601 1233.470,127.3580 1233.952,127.1844 
1234.434,126.3192 1234.916,124.8300 1235.398,122.8289 1235.880,120.1461 
1236.362,116.4468 1236.844,111.7350 1237.327,106.9457 1237.809,102.0684 
1238.291,96.88565 1238.773,90.99366 1239.255,85.16001 1239.737,79.73425 
1240.219,74.61044 1240.701,69.57984 1241.183,64.71976 1241.666,60.42173 
1242.148,56.64647 1242.630,53.09337 1243.112,49.57114 1243.594,46.28576 
1244.076,43.30179 1244.558,40.52186 1245.040,37.80804 1245.523,35.18593 
1246.005,32.59545 1246.487,30.09549 1246.969,27.87542 1247.451,26.00350 
1247.933,24.48144 1248.415,23.43696 1248.897,22.45844 1249.380,20.93124 
1249.862,19.09695 1250.344,17.81415 1250.826,17.03567 1251.308,16.27061 
1251.790,15.32075 1252.272,14.39013 1252.754,13.51805 1253.236,12.66089 
1253.719,11.74168 1254.201,10.82940 1254.683,10.01828 1255.165,9.328396 
1255.647,8.810216 1256.129,8.670548 1256.611,8.368702 1257.093,7.815279 
1257.575,7.190367 1258.058,6.604196 1258.540,6.125263 1259.022,5.980709 
1259.504,6.068254 1259.986,5.865291 1260.468,5.148392 1260.950,4.616962 
1261.432,4.368927 1261.915,4.215694 1262.397,3.925451 1262.879,3.672363 
1263.361,3.764006 1263.843,4.066917 1264.325,4.052954 1264.807,3.635918 
1265.289,3.179990 1265.771,2.704969 1266.254,2.328905 1266.736,2.244136 
1267.218,2.226992 1267.700,2.054813 1268.182,1.812006 1268.664,1.770036 
1269.146,1.951347 1269.628,1.998032 1270.110,1.875181 1270.593,1.681962 
1271.075,1.415304 1271.557,1.178307 1272.039,1.060957 1272.521,1.007888 
1273.003,0.9358390 1273.485,0.8485880 1273.967,0.7746660 1274.450,0.7173950 
1274.932,0.6964720 1275.414,0.7702440 1275.896,0.8228690 1276.378,0.8061510 
1276.860,0.7545230 1277.342,0.7205200 1277.824,0.6916910 1278.306,0.6023280 
1278.789,0.4563290 1279.271,0.3223160 1279.753,0.2247250 1280.235,0.1529650 
1280.717,0.1043380 1281.199,8.1145003E-02 1281.681,0.1354110 
1282.163,0.1966000 1282.646,2.6867000E-02 1283.128,0.3102770 
1283.610,0.4197440 1284.092,8.5049998E-03 1284.574,0.2635000 
1285.056,0.3143450 1285.538,0.2663650 1286.020,0.2257810 1286.502,0.1714520 
1286.984,2.5025999E-02 1287.467,0.1628500 1287.949,0.2079920 
1288.431,7.6977998E-02 1288.913,0.1198360 1289.395,0.3854480 
1289.877,0.6114340 1290.359,0.6772130 1290.841,0.6888980 1291.324,0.7585670 
1291.806,0.7436830 1292.288,0.5196910 1292.770,0.2669750 1293.252,0.1671840 
1293.734,0.2394420 1294.216,0.1418600 1294.698,0.3639970 1295.181,0.6082540 
1295.663,0.6113780 1296.145,0.4966890 1296.627,0.3857010 1297.109,0.1691910 
1297.591,8.2511000E-02 1298.073,4.0403001E-02 1298.555,6.5480000E-03 
1299.037,6.4869002E-02 1299.520,6.6120997E-02 1300.002,0.0000000E+00 
##MOLFORM=Fe4 H28 O32 S4
##RESOLUTION=4
##PRESSURE=100
##TEMPERATURE=26.85
##END=
