##TITLE=1000189
##JCAMP-DX=4.24
##DATA TYPE=RAMAN SPECTRUM
##SOURCE REFERENCE=http://solsa.crystallography.net/rod/1000189.rod
##OWNER=PUBLIC DOMAIN
##XUNITS=1/CM
##YUNITS=ARBITRARY UNITS
##FIRSTX=140.5114
##LASTX=1302.894
##XFACTOR=1
##YFACTOR=1
##NPOINTS=2412
##FIRSTY=0.0000000E+00
##LASTY=0.0000000E+00
##XYPOINTS=(XY..XY)
140.5114,0.0000000E+00 140.9935,0.3240280 141.4756,2.5055001E-02 
141.9577,6.1767999E-02 142.4399,0.5092470 142.9220,0.7808760 
143.4041,0.7432330 143.8862,0.7210690 144.3683,0.9330140 144.8504,1.408913 
145.3326,2.002556 145.8147,2.741364 146.2968,3.595665 146.7789,4.308014 
147.2610,4.861763 147.7431,5.428391 148.2253,6.049568 148.7074,6.837723 
149.1895,7.423080 149.6716,7.696167 150.1537,7.655159 150.6358,7.698097 
151.1180,7.862297 151.6001,8.097427 152.0822,8.381683 152.5643,8.888779 
153.0464,9.338135 153.5285,9.857338 154.0107,10.80095 154.4928,11.48561 
154.9749,11.40886 155.4570,11.06685 155.9391,10.98284 156.4212,11.44328 
156.9034,11.69064 157.3855,11.54584 157.8676,10.95988 158.3497,10.29454 
158.8318,9.463966 159.3139,8.626007 159.7961,7.975868 160.2782,7.895790 
160.7603,7.738235 161.2424,7.168419 161.7245,6.023277 162.2066,4.967575 
162.6888,4.282356 163.1709,3.821815 163.6530,3.350349 164.1351,2.770164 
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174.2596,2.016266 174.7417,2.707863 175.2238,3.452988 175.7059,4.323845 
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208.9720,20.15147 209.4541,19.41570 209.9362,18.54485 210.4183,17.84489 
210.9004,17.34396 211.3825,16.93040 211.8647,16.57460 212.3468,16.27709 
212.8289,16.06068 213.3110,15.98980 213.7931,15.90879 214.2752,15.63863 
214.7574,15.15495 215.2395,14.54070 215.7216,13.74316 216.2037,12.75674 
216.6858,12.01651 217.1679,11.59051 217.6500,11.32253 218.1322,11.05025 
218.6143,10.78528 219.0964,10.47118 219.5785,10.07397 220.0606,9.578835 
220.5427,9.198235 221.0249,8.965240 221.5070,8.809540 221.9891,8.657784 
222.4712,8.496628 222.9533,8.361748 223.4354,8.280365 223.9176,8.252659 
224.3997,8.127659 224.8818,7.817680 225.3639,7.498169 225.8460,7.385967 
226.3281,7.585102 226.8103,7.817123 227.2924,8.007988 227.7745,8.149628 
228.2566,8.365314 228.7387,8.693851 229.2208,9.049316 229.7030,9.344959 
230.1851,9.568378 230.6672,9.746422 231.1493,9.834587 231.6314,9.821285 
232.1135,10.03326 232.5957,10.57086 233.0778,11.22620 233.5599,11.78388 
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274.5398,59.87227 275.0219,59.71930 275.5040,59.52975 275.9861,59.20123 
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282.2537,46.20715 282.7358,44.56632 283.2179,42.89240 283.7000,41.23017 
284.1821,39.57852 284.6642,37.98722 285.1464,36.45514 285.6285,34.91086 
286.1106,33.25398 286.5927,31.50047 287.0748,29.88728 287.5569,28.48158 
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289.9675,21.68821 290.4496,20.88971 290.9318,19.97970 291.4139,18.89981 
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299.6099,6.641838 300.0920,6.040184 300.5741,5.344086 301.0562,4.697350 
301.5383,4.109386 302.0204,3.614983 302.5026,3.332317 302.9847,3.248600 
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309.2522,4.4468001E-02 309.7343,0.2874760 310.2164,0.4412310 
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359.3923,1.011501 359.8744,1.026424 360.3565,1.093098 360.8387,1.286308 
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378.6770,0.6623730 379.1591,0.7251010 379.6412,0.6128120 380.1233,0.3211330 
380.6054,5.8159001E-02 381.0876,0.1548310 381.5697,0.3068960 
382.0518,0.3778880 382.5339,0.3800660 383.0160,0.3544430 383.4981,0.2495190 
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455.3335,109.9666 455.8156,111.4831 456.2977,114.1492 456.7798,117.5385 
457.2620,121.6864 457.7441,126.7385 458.2262,132.8323 458.7083,139.8916 
459.1904,148.1056 459.6725,157.4755 460.1547,167.2970 460.6368,177.2909 
461.1189,187.3162 461.6010,197.0177 462.0831,206.6243 462.5652,215.3500 
463.0474,223.1919 463.5295,229.7636 464.0116,233.7424 464.4937,234.3485 
464.9758,232.3389 465.4579,227.8990 465.9401,220.9193 466.4222,212.3360 
466.9043,200.9984 467.3864,188.8627 467.8685,177.7764 468.3506,167.8583 
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470.7612,135.2678 471.2433,130.6062 471.7255,126.8071 472.2076,123.9686 
472.6897,121.3838 473.1718,119.1152 473.6539,116.8673 474.1360,114.3866 
474.6182,111.6820 475.1003,108.4216 475.5824,104.3471 476.0645,99.86986 
476.5466,96.09806 477.0287,92.95296 477.5109,89.70325 477.9930,85.70846 
478.4751,81.33563 478.9572,77.26832 479.4393,73.55009 479.9214,70.07433 
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482.3320,56.25073 482.8141,53.60273 483.2963,50.74098 483.7784,48.03650 
484.2605,45.88445 484.7426,43.75357 485.2247,41.31423 485.7068,38.43449 
486.1890,35.78836 486.6711,33.61223 487.1532,31.63435 487.6353,29.57272 
488.1174,27.31347 488.5995,25.22882 489.0817,23.41542 489.5638,21.80126 
490.0459,20.05934 490.5280,18.07587 491.0101,16.23346 491.4922,14.68568 
491.9744,13.42392 492.4565,12.34144 492.9386,11.45046 493.4207,10.62920 
493.9028,9.703941 494.3849,8.708298 494.8671,7.943142 495.3492,7.531090 
495.8313,7.259083 496.3134,6.818237 496.7955,6.240818 497.2776,5.634136 
497.7598,4.963120 498.2419,4.354237 498.7240,4.005417 499.2061,3.921062 
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522.8298,1.127567 523.3120,1.185760 523.7941,0.9447590 524.2762,0.6684910 
524.7583,0.3393860 525.2404,5.3490002E-02 525.7225,0.1078870 
526.2047,0.4990690 526.6868,0.8365250 527.1689,0.8939860 527.6510,0.7663760 
528.1331,0.6892930 528.6152,0.6610720 529.0974,0.6520810 529.5795,0.6764530 
530.0616,0.6921840 530.5437,0.6319350 531.0258,0.4609990 531.5079,0.2739750 
531.9901,6.8424001E-02 532.4722,0.1052930 532.9543,0.1671830 
533.4364,3.1528000E-02 533.9185,0.2199710 534.4006,0.3190990 
534.8828,0.3302990 535.3649,0.2974700 535.8470,0.2479670 536.3291,0.1321600 
536.8112,9.2174999E-02 537.2933,0.4773450 537.7755,0.7585640 
538.2576,0.9068830 538.7397,0.9875640 539.2218,1.073643 539.7039,1.169079 
540.1860,1.216862 540.6682,1.197948 541.1503,1.136890 541.6324,1.056293 
542.1145,0.9638750 542.5966,0.9294970 543.0787,1.031990 543.5609,1.199272 
544.0430,1.304794 544.5251,1.351059 545.0072,1.412090 545.4893,1.622639 
545.9714,1.834034 546.4536,1.868214 546.9357,1.609016 547.4178,1.385281 
547.8999,1.318970 548.3820,1.372105 548.8641,1.492283 549.3463,1.790920 
549.8284,2.019291 550.3105,2.097694 550.7926,2.056137 551.2747,2.042660 
551.7568,2.028458 552.2390,2.090336 552.7211,2.304657 553.2032,2.698166 
553.6853,2.895813 554.1674,2.854744 554.6495,2.751202 555.1317,2.759724 
555.6138,2.868172 556.0959,2.985020 556.5780,3.090824 557.0601,3.210014 
557.5422,3.391022 558.0244,3.615486 558.5065,3.829800 558.9886,4.069351 
559.4707,4.241497 559.9528,4.189270 560.4349,3.958839 560.9171,3.831993 
561.3992,4.042450 561.8813,4.319328 562.3634,4.478661 562.8455,4.443855 
563.3276,4.474014 563.8098,4.702187 564.2919,4.949337 564.7740,5.042980 
565.2561,4.837414 565.7382,4.777596 566.2203,4.960709 566.7025,5.283176 
567.1846,5.487984 567.6667,5.571705 568.1488,5.581196 568.6309,5.484177 
569.1130,5.333347 569.5952,5.341206 570.0773,5.516079 570.5594,5.753719 
571.0415,6.059265 571.5236,6.333450 572.0057,6.393261 572.4879,6.200592 
572.9700,5.973648 573.4521,5.829216 573.9342,5.752625 574.4163,5.728291 
574.8984,5.749374 575.3806,5.828979 575.8627,6.013817 576.3448,6.237503 
576.8269,6.350834 577.3090,6.251339 577.7911,6.202908 578.2733,6.278828 
578.7554,6.467838 579.2375,6.645428 579.7196,6.818836 580.2017,6.929005 
580.6838,6.915524 581.1660,6.795952 581.6481,6.761990 582.1302,6.833477 
582.6123,6.955894 583.0944,7.014057 583.5765,7.041019 584.0587,7.205433 
584.5408,7.694157 585.0229,8.127850 585.5050,7.951511 585.9871,7.411827 
586.4692,7.115269 586.9514,7.534462 587.4335,8.073891 587.9155,8.436966 
588.3976,8.625912 588.8798,8.836334 589.3619,9.096603 589.8440,9.396347 
590.3261,9.738777 590.8082,10.14381 591.2903,10.45807 591.7725,10.63497 
592.2546,10.78294 592.7367,11.02126 593.2188,11.36071 593.7009,11.68084 
594.1830,11.92039 594.6652,12.23016 595.1473,12.94808 595.6294,13.99445 
596.1115,14.99096 596.5936,15.71325 597.0757,16.33720 597.5579,17.09215 
598.0400,17.94391 598.5221,18.78436 599.0042,19.48870 599.4863,20.20761 
599.9684,21.07086 600.4506,22.11344 600.9327,23.11007 601.4148,23.94880 
601.8969,24.76353 602.3790,25.66384 602.8611,26.75681 603.3433,27.73952 
603.8254,28.54345 604.3075,29.28211 604.7896,30.07961 605.2717,30.91860 
605.7538,32.00695 606.2360,33.48990 606.7181,35.13931 607.2002,36.29227 
607.6823,37.01785 608.1644,37.80540 608.6465,38.86783 609.1287,40.18460 
609.6108,41.78247 610.0929,43.64581 610.5750,45.53699 611.0571,47.19789 
611.5392,48.93121 612.0214,50.96494 612.5035,53.37218 612.9856,56.02031 
613.4677,59.05536 613.9498,62.25758 614.4319,65.42812 614.9141,68.54936 
615.3962,71.74528 615.8783,75.04195 616.3604,78.41398 616.8425,81.77303 
617.3246,85.11931 617.8068,88.32908 618.2889,91.30682 618.7710,94.08685 
619.2531,96.65542 619.7352,99.03455 620.2173,101.3207 620.6995,103.4819 
621.1816,105.6630 621.6637,107.9361 622.1458,110.3325 622.6279,112.9877 
623.1100,115.7397 623.5922,118.9224 624.0743,122.8658 624.5564,128.1021 
625.0385,133.1940 625.5206,137.7896 626.0027,142.2475 626.4849,146.9798 
626.9670,152.2357 627.4491,157.3070 627.9312,162.2687 628.4133,166.8471 
628.8954,170.2597 629.3776,172.4949 629.8597,174.3798 630.3418,176.4019 
630.8239,178.2100 631.3060,179.3586 631.7881,179.7781 632.2703,179.0478 
632.7524,176.4598 633.2345,172.9073 633.7166,169.1996 634.1987,165.4877 
634.6808,160.9543 635.1630,154.8857 635.6451,148.1469 636.1272,141.3046 
636.6093,134.2967 637.0914,127.4809 637.5735,120.9612 638.0557,114.6330 
638.5378,108.4199 639.0199,102.2177 639.5020,96.38564 639.9841,90.95557 
640.4662,86.02748 640.9484,81.73464 641.4305,78.02464 641.9126,74.60365 
642.3947,71.07702 642.8768,67.91888 643.3589,65.79454 643.8411,64.55058 
644.3232,63.54374 644.8053,62.34510 645.2874,61.31308 645.7695,60.75102 
646.2516,60.74814 646.7338,60.53339 647.2159,59.68592 647.6980,58.85473 
648.1801,58.49486 648.6622,59.02310 649.1443,58.66129 649.6265,57.25828 
650.1086,55.27847 650.5907,53.27511 651.0728,51.21471 651.5549,48.77938 
652.0370,45.80893 652.5192,42.72929 653.0013,40.25624 653.4834,38.19890 
653.9655,36.09848 654.4476,33.67291 654.9297,31.27450 655.4119,29.07354 
655.8940,27.06171 656.3761,25.17452 656.8582,23.43756 657.3403,21.81249 
657.8224,20.24752 658.3046,18.75334 658.7867,17.48492 659.2688,16.54866 
659.7509,15.63277 660.2330,14.49112 660.7151,13.12289 661.1973,12.22817 
661.6794,11.86343 662.1615,11.55374 662.6436,10.80883 663.1257,9.794727 
663.6078,8.882771 664.0900,8.134205 664.5721,7.456684 665.0542,6.774937 
665.5363,6.114910 666.0184,5.511593 666.5005,5.077759 666.9827,4.564606 
667.4648,3.799858 667.9469,2.939594 668.4290,2.283199 668.9111,1.877434 
669.3932,1.585716 669.8754,1.421673 670.3575,1.337780 670.8396,1.160072 
671.3217,0.8783720 671.8038,0.6616940 672.2859,0.6495060 672.7681,0.7314990 
673.2502,0.6317630 673.7323,0.3759840 674.2144,0.1513330 674.6965,0.1347580 
675.1786,0.1689030 675.6608,9.9345997E-02 676.1429,9.5043004E-02 
676.6250,0.2305910 677.1071,0.1925960 677.5892,0.1193960 678.0714,0.1044310 
678.5535,0.1765520 679.0356,0.2318500 679.5177,0.2675130 679.9998,0.2901000 
680.4819,0.2928960 680.9641,0.2749980 681.4462,0.3125340 681.9283,0.4334070 
682.4104,0.5583230 682.8925,0.5602800 683.3746,0.4764710 683.8568,0.4020610 
684.3389,0.3488270 684.8210,0.3422780 685.3031,0.4214170 685.7852,0.5591090 
686.2673,0.6975780 686.7495,0.9176180 687.2316,1.032387 687.7137,0.9474410 
688.1958,0.7056920 688.6779,0.4545590 689.1600,0.1458050 
689.6422,6.9987997E-02 690.1243,0.1208690 690.6064,2.6524000E-02 
691.0885,0.1084020 691.5706,0.2875100 692.0527,0.4169430 692.5349,0.4240910 
693.0170,0.3446160 693.4991,0.1928940 693.9812,2.6089000E-02 
694.4633,0.1461140 694.9454,8.8356003E-02 695.4276,0.3736920 
695.9097,0.4341050 696.3918,0.1118740 696.8739,7.3836997E-02 
697.3560,0.1353760 697.8381,0.3660390 698.3203,0.2904970 698.8024,0.2420540 
699.2845,0.5817950 699.7666,0.6706850 700.2487,0.5937420 700.7308,0.3924670 
701.2130,0.1001550 701.6951,7.2506003E-02 702.1772,5.9386998E-02 
702.6593,6.0187999E-02 703.1414,0.2674520 703.6235,0.5047990 
704.1057,0.6593250 704.5878,0.6146580 705.0699,0.5536730 705.5520,0.5272870 
706.0341,0.5400160 706.5162,0.6090280 706.9984,0.8119930 707.4805,0.9551470 
707.9626,0.9729840 708.4447,0.8938260 708.9268,0.8682590 709.4089,0.9015270 
709.8911,0.9457660 710.3732,0.9796260 710.8553,1.005135 711.3374,1.005917 
711.8195,0.9895360 712.3016,1.026390 712.7838,1.279831 713.2659,1.526249 
713.7480,1.540859 714.2301,1.291351 714.7122,1.081638 715.1943,0.9268570 
715.6765,0.8959730 716.1586,1.049332 716.6407,1.462334 717.1228,1.767616 
717.6049,1.944118 718.0870,2.062950 718.5692,2.199829 719.0513,2.346294 
719.5334,2.396641 720.0155,2.328007 720.4976,2.242165 720.9797,2.262653 
721.4619,2.332626 721.9440,2.348640 722.4261,2.234707 722.9082,2.177929 
723.3903,2.351055 723.8724,2.598572 724.3546,2.718079 724.8367,2.506676 
725.3188,2.428448 725.8009,2.601101 726.2830,2.863785 726.7651,2.862900 
727.2473,2.559952 727.7294,2.421959 728.2115,2.628811 728.6936,2.978676 
729.1757,3.084698 729.6578,3.009254 730.1400,2.968826 730.6221,3.158531 
731.1042,3.336121 731.5863,3.274509 732.0684,3.051849 732.5505,2.930759 
733.0327,3.106388 733.5148,3.256523 733.9969,3.241070 734.4790,3.096355 
734.9611,3.098763 735.4432,3.289371 735.9254,3.495781 736.4075,3.664200 
736.8896,3.777565 737.3717,3.724846 737.8538,3.518879 738.3359,3.321114 
738.8181,3.221653 739.3002,3.196453 739.7823,3.233341 740.2644,3.329933 
740.7465,3.444519 741.2286,3.645584 741.7108,3.796337 742.1929,3.767994 
742.6750,3.489330 743.1571,3.451492 743.6392,3.767082 744.1213,4.090179 
744.6035,4.107693 745.0856,3.852150 745.5677,3.766914 746.0498,3.895229 
746.5319,4.055981 747.0140,4.086464 747.4962,4.036808 747.9783,3.958260 
748.4604,3.834698 748.9425,3.768650 749.4246,3.919350 749.9067,4.089756 
750.3889,4.096138 750.8710,3.739586 751.3531,3.574776 751.8352,3.666222 
752.3173,3.871685 752.7994,4.039833 753.2816,4.168900 753.7637,4.202709 
754.2458,4.146778 754.7279,4.044422 755.2100,3.903416 755.6921,3.742928 
756.1743,3.618099 756.6564,3.547676 757.1385,3.539055 757.6206,3.685863 
758.1027,3.879383 758.5848,3.957752 759.0670,3.780121 759.5491,3.640373 
760.0312,3.575489 760.5133,3.577724 760.9954,3.632156 761.4775,3.740707 
761.9597,3.824352 762.4418,3.865261 762.9239,3.865356 763.4060,3.775429 
763.8881,3.644096 764.3702,3.600582 764.8524,3.840942 765.3345,4.045292 
765.8166,3.968533 766.2987,3.726261 766.7808,3.611603 767.2629,3.785763 
767.7451,3.945717 768.2272,4.047104 768.7093,4.095016 769.1914,4.096947 
769.6735,4.047611 770.1556,4.017120 770.6378,4.058376 771.1199,4.110916 
771.6020,4.033520 772.0841,3.860935 772.5662,3.719734 773.0483,3.720127 
773.5305,3.730518 774.0126,3.661377 774.4947,3.528587 774.9768,3.424530 
775.4589,3.342926 775.9410,3.321011 776.4232,3.402870 776.9053,3.557121 
777.3874,3.567406 777.8695,3.420498 778.3516,3.301140 778.8337,3.334526 
779.3159,3.445103 779.7980,3.486412 780.2801,3.468082 780.7622,3.441109 
781.2443,3.420605 781.7264,3.412231 782.2086,3.437599 782.6907,3.492928 
783.1728,3.494888 783.6549,3.442135 784.1370,3.327171 784.6191,3.104099 
785.1012,2.800011 785.5833,2.684612 786.0654,2.767578 786.5475,2.880825 
787.0297,2.890598 787.5118,2.870327 787.9939,2.997555 788.4760,3.245815 
788.9581,3.389172 789.4402,3.252178 789.9224,3.014793 790.4045,2.736298 
790.8866,2.418385 791.3687,2.249508 791.8508,2.322491 792.3329,2.397373 
792.8151,2.335129 793.2972,2.156055 793.7793,2.154099 794.2614,2.336811 
794.7435,2.451954 795.2256,2.229568 795.7078,1.881855 796.1899,1.691189 
796.6720,1.662495 797.1541,1.679821 797.6362,1.739769 798.1183,1.786499 
798.6005,1.776947 799.0826,1.705444 799.5647,1.656597 800.0468,1.619835 
800.5289,1.630119 801.0110,1.748203 801.4932,1.944572 801.9753,1.993645 
802.4574,1.898834 802.9395,1.775414 803.4216,1.702614 803.9037,1.648186 
804.3859,1.568230 804.8680,1.461071 805.3501,1.391682 805.8322,1.400188 
806.3143,1.435989 806.7964,1.492092 807.2786,1.572598 807.7607,1.561749 
808.2428,1.445190 808.7249,1.291237 809.2070,1.109726 809.6891,0.9279630 
810.1713,0.8351290 810.6534,0.8309360 811.1355,0.8845140 811.6176,1.068108 
812.0997,1.230560 812.5818,1.235832 813.0640,1.072330 813.5461,0.9158400 
814.0282,0.7786710 814.5103,0.6679690 814.9924,0.5827450 815.4745,0.5229840 
815.9567,0.5337720 816.4388,0.6191670 816.9209,0.7227210 817.4030,0.8073230 
817.8851,0.8854450 818.3672,1.029507 818.8494,1.216087 819.3315,1.262352 
819.8136,0.8166280 820.2957,0.4234850 820.7778,0.5212520 821.2599,1.141747 
821.7421,1.302185 822.2242,0.7596090 822.7063,0.2470400 823.1884,0.1090350 
823.6705,0.2813150 824.1526,0.4397430 824.6348,0.5826760 825.1169,0.6755680 
825.5990,0.6946260 826.0811,0.6570970 826.5632,0.5588650 827.0453,0.4105830 
827.5275,0.2772330 828.0096,0.1452370 828.4917,7.0056997E-02 
828.9738,9.7923003E-02 829.4559,0.2076840 829.9380,0.2245140 
830.4202,0.1262020 830.9023,5.1716000E-02 831.3844,9.1324002E-02 
831.8665,0.1819650 832.3486,0.1480030 832.8307,1.9463001E-02 
833.3129,6.6467002E-02 833.7950,3.8493998E-02 834.2771,0.1442380 
834.7592,0.1144450 835.2413,1.8456001E-02 835.7234,8.9993000E-02 
836.2056,7.6035000E-02 836.6877,1.9641999E-02 837.1698,9.0167999E-02 
837.6519,0.2185290 838.1340,0.2471430 838.6161,0.1860350 839.0983,0.1660390 
839.5804,0.2723240 840.0625,0.3957330 840.5446,0.3947790 841.0267,0.3189510 
841.5089,0.2875750 841.9910,0.4332120 842.4731,0.5305750 842.9552,0.4803390 
843.4373,0.3470690 843.9194,0.2522160 844.4016,0.1854740 844.8837,0.2141570 
845.3658,0.3982660 845.8479,0.6196100 846.3300,0.6645740 846.8121,0.5608630 
847.2943,0.3803440 847.7764,4.1946001E-02 848.2585,0.2012020 
848.7406,0.1180310 849.2227,0.1417580 849.7048,0.3439750 850.1870,0.5083240 
850.6691,0.4980960 851.1512,0.2005920 851.6333,0.1389080 
852.1154,9.6217997E-02 852.5975,0.2839240 853.0797,0.5486410 
853.5618,0.5921780 854.0439,0.5897250 854.5260,0.7347070 855.0081,0.9175030 
855.4902,0.9992290 855.9724,0.9084590 856.4545,0.7944870 856.9366,0.6550940 
857.4187,0.5603680 857.9008,0.5571520 858.3829,0.6245230 858.8651,0.6843380 
859.3472,0.7394910 859.8293,0.8083420 860.3114,0.9659920 860.7935,1.114532 
861.2756,1.029236 861.7578,0.6571730 862.2399,0.4089740 862.7220,0.5713460 
863.2041,0.8406940 863.6862,1.004955 864.1683,1.043888 864.6505,1.069214 
865.1326,1.071720 865.6147,1.106842 866.0968,1.255524 866.5789,1.463909 
867.0610,1.496536 867.5432,1.360382 868.0253,1.237885 868.5074,1.240074 
868.9895,1.318321 869.4716,1.461166 869.9537,1.657864 870.4359,1.786007 
870.9180,1.771450 871.4001,1.798740 871.8822,1.980034 872.3643,2.269642 
872.8464,2.344498 873.3286,2.206539 873.8107,2.065296 874.2928,2.071957 
874.7749,2.110439 875.2570,2.044754 875.7391,1.913219 876.2213,1.815365 
876.7034,1.781937 877.1855,1.774723 877.6676,1.803532 878.1497,1.847805 
878.6318,1.821323 879.1140,1.703480 879.5961,1.716629 880.0782,2.003399 
880.5603,2.299080 881.0424,2.103542 881.5245,1.642708 882.0067,1.369373 
882.4888,1.520210 882.9709,1.709469 883.4530,1.857189 883.9351,1.965973 
884.4172,2.032841 884.8994,2.045490 885.3815,2.068104 885.8636,2.119370 
886.3457,2.144108 886.8278,2.033958 887.3099,1.849606 887.7921,1.746517 
888.2742,1.760071 888.7563,1.761108 889.2384,1.584793 889.7205,1.423073 
890.2026,1.465790 890.6848,1.798740 891.1669,2.019535 891.6490,2.122250 
892.1311,2.151917 892.6132,2.114346 893.0953,2.018242 893.5775,1.882156 
894.0596,1.709503 894.5417,1.615215 895.0238,1.875916 895.5059,2.088421 
895.9880,1.817673 896.4702,1.098034 896.9523,0.7783050 897.4344,1.113388 
897.9165,1.475128 898.3986,1.683121 898.8807,1.740856 899.3629,1.575886 
899.8450,1.221401 900.3271,0.9387170 900.8092,0.8662300 901.2913,0.8936040 
901.7734,1.032608 902.2556,1.187061 902.7377,1.155479 903.2198,0.6189580 
903.7019,0.2573970 904.1840,0.1669540 904.6661,0.2566800 905.1483,0.4446180 
905.6304,0.7182850 906.1125,0.7804870 906.5946,0.5380360 907.0767,0.2588840 
907.5588,0.2287250 908.0410,0.3155980 908.5231,0.3583490 909.0052,0.3057670 
909.4873,0.2475010 909.9694,0.2041970 910.4515,0.1591420 
910.9337,8.0696002E-02 911.4158,3.6285002E-02 911.8979,6.0890000E-02 
912.3800,1.1356000E-02 912.8621,0.1225280 913.3442,0.3339420 
913.8264,0.4894790 914.3085,0.3089370 914.7906,0.1908650 915.2727,0.5125050 
915.7548,0.3420600 916.2369,0.1380350 916.7191,6.6836998E-02 
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918.6475,0.2023660 919.1296,2.8644999E-02 919.6118,0.2047580 
920.0939,0.2408520 920.5760,0.1400950 921.0581,4.8900999E-02 
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922.9866,0.1575090 923.4687,0.1840740 923.9508,0.1354750 
924.4329,9.1559999E-02 924.9150,6.5208003E-02 925.3972,6.0470998E-02 
925.8793,0.1185800 926.3614,0.1866910 926.8435,0.1818390 
927.3256,7.0708998E-02 927.8077,4.0020000E-02 928.2899,0.1685220 
928.7720,0.2365070 929.2541,0.1693080 929.7362,4.6314001E-02 
930.2183,0.1267700 930.7004,6.5231003E-02 931.1826,3.1456001E-02 
931.6647,0.1269300 932.1468,0.1871530 932.6289,0.1365590 
933.1110,2.4220000E-03 933.5931,0.1023640 934.0753,8.3195001E-02 
934.5574,5.6839000E-02 935.0395,7.1502998E-02 935.5216,9.9785000E-02 
936.0037,3.1055000E-02 936.4858,0.1415940 936.9680,0.2232630 
937.4501,0.1371190 937.9322,3.0060001E-02 938.4143,0.2762370 
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940.8249,0.2438320 941.3070,0.2675700 941.7891,0.2878300 942.2712,0.3044090 
942.7534,0.2771380 943.2355,0.2015380 943.7176,0.1148150 
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945.6461,2.0210000E-02 946.1282,9.3578003E-02 946.6103,0.1924060 
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951.4315,5.6664001E-02 951.9136,8.9615002E-02 952.3957,3.7448999E-02 
952.8778,5.9627999E-02 953.3599,9.4612002E-02 953.8420,0.3099560 
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956.2526,0.3162840 956.7347,0.5143010 957.2169,0.7663380 957.6990,0.8799590 
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960.1096,0.7304650 960.5917,1.125504 961.0738,1.449360 961.5559,1.699062 
962.0380,1.834442 962.5201,1.736729 963.0023,1.627224 963.4844,1.595703 
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967.8234,3.416008 968.3055,3.919071 968.7877,4.307980 969.2698,4.196808 
969.7519,4.096558 970.2340,4.452175 970.7161,5.335312 971.1982,5.989868 
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973.6088,7.649956 974.0909,8.828548 974.5731,9.908195 975.0552,10.46161 
975.5373,11.14855 976.0194,12.27279 976.5015,13.59344 976.9836,14.66326 
977.4658,15.45137 977.9479,16.33205 978.4300,17.33384 978.9121,18.52708 
979.3942,20.07473 979.8763,21.84921 980.3585,23.64984 980.8406,25.34620 
981.3227,27.33355 981.8048,29.82363 982.2869,32.48652 982.7690,35.11742 
983.2511,37.74872 983.7332,40.58230 984.2153,43.65434 984.6974,47.23845 
985.1796,51.63077 985.6617,56.53167 986.1438,61.67999 986.6259,67.10847 
987.1080,72.93977 987.5901,79.01646 988.0723,85.71970 988.5544,92.89387 
989.0365,100.9848 989.5186,110.5345 990.0007,121.5720 990.4828,133.8901 
990.9650,147.4411 991.4471,162.7120 991.9292,179.7338 992.4113,198.8233 
992.8934,220.4187 993.3755,244.4080 993.8577,270.8097 994.3398,299.4321 
994.8219,330.2956 995.3040,363.9874 995.7861,399.4235 996.2682,435.4748 
996.7504,472.0706 997.2325,509.9777 997.7146,549.2028 998.1967,590.1774 
998.6788,632.5603 999.1609,677.2698 999.6431,725.5176 1000.125,776.5619 
1000.607,833.6854 1001.089,896.8061 1001.572,965.6492 1002.054,1040.318 
1002.536,1120.047 1003.018,1206.171 1003.500,1297.760 1003.982,1392.681 
1004.464,1491.444 1004.946,1590.552 1005.428,1689.818 1005.911,1786.728 
1006.393,1876.780 1006.875,1956.988 1007.357,2009.976 1007.839,2034.505 
1008.321,2023.908 1008.803,1971.040 1009.285,1880.572 1009.768,1762.169 
1010.250,1609.281 1010.732,1446.591 1011.214,1274.856 1011.696,1106.168 
1012.178,951.0876 1012.660,811.1757 1013.142,687.0523 1013.624,579.3676 
1014.107,486.2187 1014.589,411.6085 1015.071,348.6553 1015.553,296.8270 
1016.035,254.8992 1016.517,219.7462 1016.999,191.2274 1017.481,166.6790 
1017.964,145.7418 1018.446,127.7565 1018.928,112.4236 1019.410,99.29436 
1019.892,87.94982 1020.374,78.69431 1020.856,70.24320 1021.338,62.60116 
1021.820,55.72660 1022.303,49.78325 1022.785,44.59162 1023.267,39.79594 
1023.749,35.39201 1024.231,31.40470 1024.713,27.98334 1025.195,24.83838 
1025.677,21.87518 1026.160,19.10406 1026.642,16.48806 1027.124,14.01930 
1027.606,11.86971 1028.088,10.09177 1028.570,8.527725 1029.052,7.003868 
1029.534,5.580475 1030.016,4.298637 1030.499,3.158569 1030.981,2.231636 
1031.463,1.618217 1031.945,0.9935380 1032.427,0.1296390 1032.909,0.8383330 
1033.391,1.436432 1033.873,1.730476 1034.355,2.009499 1034.838,2.534550 
1035.320,2.932240 1035.802,2.981388 1036.284,2.822689 1036.766,2.682106 
1037.248,2.608391 1037.730,2.208214 1038.212,1.417160 1038.695,0.6224440 
1039.177,0.1904530 1039.659,3.4676000E-02 1040.141,0.1063080 
1040.623,7.0418999E-02 1041.105,0.3825070 1041.587,1.310234 1042.069,2.331581 
1042.552,3.369347 1043.034,4.377861 1043.516,5.255051 1043.998,6.025429 
1044.480,6.689697 1044.962,7.168625 1045.444,7.847794 1045.926,9.372787 
1046.408,10.89325 1046.891,11.60016 1047.373,11.38062 1047.855,11.33341 
1048.337,11.46270 1048.819,11.73306 1049.301,12.29269 1049.783,12.85676 
1050.265,12.93368 1050.747,12.72298 1051.230,12.76371 1051.712,13.46088 
1052.194,14.07372 1052.676,14.55579 1053.158,14.90044 1053.640,14.98329 
1054.122,14.90678 1054.604,15.13181 1055.087,15.70920 1055.569,16.22236 
1056.051,16.12513 1056.533,16.17975 1057.015,16.96559 1057.497,18.30073 
1057.979,19.38659 1058.461,20.21702 1058.943,20.85414 1059.426,21.24574 
1059.908,21.62560 1060.390,22.24802 1060.872,23.04791 1061.354,23.96630 
1061.836,25.08523 1062.318,26.03310 1062.800,26.77084 1063.282,27.39684 
1063.765,27.90195 1064.247,28.36980 1064.729,29.14570 1065.211,30.14916 
1065.693,31.03132 1066.175,31.67942 1066.657,32.10497 1067.139,32.19723 
1067.622,32.15119 1068.104,32.20653 1068.586,32.36510 1069.068,32.50840 
1069.550,32.61650 1070.032,32.82223 1070.514,33.34672 1070.996,33.93558 
1071.479,34.36185 1071.961,34.61996 1072.443,34.92446 1072.925,35.32752 
1073.407,35.63417 1073.889,35.74180 1074.371,35.82689 1074.853,36.33453 
1075.335,36.99715 1075.818,37.26406 1076.300,36.84608 1076.782,36.56364 
1077.264,36.83868 1077.746,37.07083 1078.228,36.87019 1078.710,36.32851 
1079.192,36.05313 1079.674,36.01292 1080.157,35.97676 1080.639,35.76498 
1081.121,35.58187 1081.603,35.51842 1082.085,35.57285 1082.567,35.73161 
1083.049,36.00225 1083.531,36.37706 1084.013,36.88462 1084.496,37.29481 
1084.978,37.22868 1085.460,37.07687 1085.942,37.36293 1086.424,38.02782 
1086.906,38.50945 1087.388,38.65152 1087.870,38.75703 1088.353,38.88868 
1088.835,39.00517 1089.317,39.04257 1089.799,39.01078 1090.281,38.90102 
1090.763,38.66521 1091.245,38.50027 1091.727,38.70776 1092.209,38.78690 
1092.692,38.45552 1093.174,37.79612 1093.656,37.20233 1094.138,36.68282 
1094.620,36.20963 1095.102,35.76508 1095.584,35.34434 1096.066,35.04836 
1096.548,34.74296 1097.031,34.20550 1097.513,33.35958 1097.995,32.56123 
1098.477,31.80637 1098.959,31.16179 1099.441,30.84313 1099.923,30.52676 
1100.405,29.58955 1100.888,28.29124 1101.370,27.44952 1101.852,27.65941 
1102.334,27.58727 1102.816,27.03258 1103.298,26.36048 1103.780,25.94250 
1104.262,25.73407 1104.745,25.66686 1105.227,25.72370 1105.709,25.76960 
1106.191,25.84415 1106.673,25.75104 1107.155,25.27340 1107.637,24.71107 
1108.119,24.89790 1108.601,25.70758 1109.083,26.31567 1109.566,26.49992 
1110.048,26.69607 1110.530,27.20679 1111.012,27.84754 1111.494,28.48895 
1111.976,29.12698 1112.458,29.83250 1112.940,30.62164 1113.423,31.20188 
1113.905,31.34317 1114.387,31.41427 1114.869,31.70747 1115.351,32.22069 
1115.833,33.01045 1116.315,34.34705 1116.797,35.10856 1117.280,35.14507 
1117.762,35.17226 1118.244,35.75284 1118.726,36.62241 1119.208,37.54747 
1119.690,38.39819 1120.172,38.81100 1120.654,38.15672 1121.136,37.80582 
1121.619,38.00169 1122.101,38.34839 1122.583,38.50372 1123.065,38.43544 
1123.547,37.93011 1124.029,37.04939 1124.511,36.28482 1124.993,36.28205 
1125.475,35.89091 1125.958,34.55103 1126.440,32.74991 1126.922,31.48412 
1127.404,30.68510 1127.886,29.83523 1128.368,28.84633 1128.850,27.76196 
1129.332,26.54044 1129.815,25.30217 1130.297,24.11160 1130.779,22.95811 
1131.261,21.77065 1131.743,20.54258 1132.225,19.24310 1132.707,17.80280 
1133.189,16.40778 1133.672,15.16724 1134.154,14.07506 1134.636,13.20459 
1135.118,12.66736 1135.600,11.57732 1136.082,9.764999 1136.564,8.221901 
1137.046,7.564022 1137.528,7.330238 1138.010,6.934853 1138.493,6.437057 
1138.975,5.945072 1139.457,5.467564 1139.939,5.053600 1140.421,4.729401 
1140.903,4.402321 1141.385,3.925674 1141.867,3.409695 1142.350,3.131172 
1142.832,3.036129 1143.314,2.890316 1143.796,2.525703 1144.278,2.222019 
1144.760,2.068142 1145.242,1.925552 1145.724,1.605541 1146.207,1.162868 
1146.689,0.7400700 1147.171,0.3631060 1147.653,0.1383510 1148.135,0.2869990 
1148.617,0.4180220 1149.099,0.3743290 1149.581,0.2382930 1150.063,0.1901280 
1150.546,0.2085610 1151.028,0.1012150 1151.510,0.1743350 1151.992,0.3907590 
1152.474,0.2996710 1152.956,0.1966590 1153.438,0.3371050 1153.920,0.6167300 
1154.402,0.5138170 1154.885,4.2614002E-02 1155.367,0.1922340 
1155.849,2.6505001E-02 1156.331,0.3570330 1156.813,0.6856190 
1157.295,0.8662410 1157.777,0.6775440 1158.259,0.1347890 1158.742,0.2646680 
1159.224,0.5077860 1159.706,0.7613330 1160.188,1.071350 1160.670,1.464088 
1161.152,2.095074 1161.634,2.767910 1162.116,3.178482 1162.599,3.187965 
1163.081,3.382210 1163.563,3.784355 1164.045,4.256622 1164.527,4.720299 
1165.009,5.202866 1165.491,5.778366 1165.973,6.397282 1166.455,6.948864 
1166.938,7.318558 1167.420,7.844158 1167.902,8.602829 1168.384,9.268478 
1168.866,9.433964 1169.348,9.416824 1169.830,9.839462 1170.312,10.55249 
1170.794,11.02542 1171.277,10.93663 1171.759,10.85419 1172.241,10.86219 
1172.723,10.81691 1173.205,10.48838 1173.687,9.998875 1174.169,9.632019 
1174.651,9.373226 1175.134,8.996845 1175.616,8.388939 1176.098,7.672188 
1176.580,6.809761 1177.062,5.927048 1177.544,5.262184 1178.026,4.711983 
1178.508,3.918343 1178.990,2.848228 1179.473,2.001007 1179.955,1.887703 
1180.437,1.631313 1180.919,0.8647690 1181.401,8.6029001E-02 1181.883,0.5085410 
1182.365,0.5547900 1182.847,0.7098080 1183.329,1.078526 1183.812,1.377979 
1184.294,1.478390 1184.776,1.473896 1185.258,1.374699 1185.740,1.214977 
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1188.151,0.7825550 1188.633,0.8739010 1189.115,0.8641890 1189.597,0.5631100 
1190.079,5.4001000E-02 1190.561,0.2816850 1191.043,0.4660530 
1191.526,0.6026190 1192.008,0.6776700 1192.490,0.8365330 1192.972,1.218037 
1193.454,1.652191 1193.936,2.023411 1194.418,2.341030 1194.900,2.745861 
1195.382,3.189144 1195.865,3.380466 1196.347,2.979679 1196.829,2.643764 
1197.311,2.719913 1197.793,2.990498 1198.275,3.330029 1198.757,3.729309 
1199.239,3.803261 1199.721,3.588631 1200.204,3.438564 1200.686,3.572720 
1201.168,3.789879 1201.650,4.074833 1202.132,4.330780 1202.614,4.409309 
1203.096,4.312645 1203.578,4.486950 1204.061,4.912819 1204.543,5.246716 
1205.025,5.271481 1205.507,5.156857 1205.989,4.865513 1206.471,4.557533 
1206.953,4.456268 1207.435,4.556419 1207.917,4.731827 1208.400,4.969303 
1208.882,5.142765 1209.364,5.137989 1209.846,5.066872 1210.328,4.990379 
1210.810,4.900494 1211.292,4.756454 1211.774,4.553539 1212.256,4.492214 
1212.739,4.597309 1213.221,4.644821 1213.703,4.423969 1214.185,4.155750 
1214.667,3.918510 1215.149,3.748043 1215.631,3.807583 1216.113,4.085312 
1216.596,4.061497 1217.078,3.660641 1217.560,3.184975 1218.042,2.723003 
1218.524,2.354485 1219.006,2.097790 1219.488,1.974174 1219.970,2.125412 
1220.453,2.515186 1220.935,2.702801 1221.417,2.610847 1221.899,2.435574 
1222.381,2.255924 1222.863,2.074100 1223.345,1.864777 1223.827,1.664291 
1224.309,1.578041 1224.792,1.597725 1225.274,1.679821 1225.756,1.826550 
1226.238,1.922466 1226.720,1.900970 1227.202,1.791401 1227.684,1.556976 
1228.166,1.281815 1228.648,1.306835 1229.131,1.556408 1229.613,1.582722 
1230.095,1.232281 1230.577,0.9806400 1231.059,1.213795 1231.541,1.489304 
1232.023,1.584911 1232.505,1.546658 1232.988,1.508080 1233.470,1.470406 
1233.952,1.446682 1234.434,1.450802 1234.916,1.420822 1235.398,1.209599 
1235.880,1.108410 1236.362,1.340332 1236.844,1.726273 1237.327,1.548187 
1237.809,1.006233 1238.291,0.7999250 1238.773,1.226557 1239.255,1.574327 
1239.737,1.554329 1240.219,1.472374 1240.701,1.414976 1241.183,1.391695 
1241.666,1.527510 1242.148,1.748699 1242.630,1.786697 1243.112,1.509403 
1243.594,1.241581 1244.076,1.020462 1244.558,0.8725810 1245.040,0.8401450 
1245.523,0.8687320 1246.005,0.7855610 1246.487,0.6491510 1246.969,0.5582700 
1247.451,0.4119760 1247.933,0.3738670 1248.415,0.5041310 1248.897,0.6631240 
1249.380,0.7976650 1249.862,0.9019620 1250.344,0.9568040 1250.826,0.9732040 
1251.308,0.9527340 1251.790,0.8050540 1252.272,0.9208240 1252.754,1.405117 
1253.236,1.860779 1253.719,2.106686 1254.201,2.145699 1254.683,1.825462 
1255.165,1.361380 1255.647,1.110876 1256.129,1.183430 1256.611,1.444731 
1257.093,1.973724 1257.575,2.297073 1258.058,2.012646 1258.540,1.551708 
1259.022,1.396801 1259.504,1.429211 1259.986,1.464737 1260.468,1.459167 
1260.950,1.606548 1261.432,1.914022 1261.915,2.146481 1262.397,2.099855 
1262.879,1.985035 1263.361,1.992222 1263.843,2.044033 1264.325,2.062494 
1264.807,2.055172 1265.289,2.033123 1265.771,1.971519 1266.254,1.835512 
1266.736,1.471975 1267.218,1.161777 1267.700,1.221195 1268.182,1.422625 
1268.664,1.564142 1269.146,1.647776 1269.628,1.600597 1270.110,1.488941 
1270.593,1.402340 1271.075,1.489300 1271.557,1.565437 1272.039,1.400646 
1272.521,1.193722 1273.003,1.090977 1273.485,1.046032 1273.967,0.9811690 
1274.450,0.9327010 1274.932,0.9764100 1275.414,1.288456 1275.896,1.407701 
1276.378,1.163815 1276.860,0.8848320 1277.342,0.8332310 1277.824,0.9056800 
1278.307,0.7745080 1278.789,0.5367360 1279.271,0.4957830 1279.753,0.9829010 
1280.235,1.297649 1280.717,1.361757 1281.199,1.276714 1281.681,1.097872 
1282.163,0.8939630 1282.646,0.7750950 1283.128,0.7183610 1283.610,0.7142430 
1284.092,0.8362880 1284.574,0.8076360 1285.056,0.5880510 1285.538,0.3926160 
1286.020,0.4034670 1286.502,0.5194380 1286.984,0.7182080 1287.467,0.9134160 
1287.949,0.9157050 1288.431,0.6667770 1288.913,0.5416110 1289.395,0.5508120 
1289.877,0.6246970 1290.359,0.7638400 1290.841,0.8666900 1291.324,0.8259370 
1291.806,0.7308220 1292.288,0.5988350 1292.770,0.4292740 1293.252,0.3670230 
1293.734,0.4090390 1294.216,0.4505350 1294.698,0.4474810 1295.181,0.4265290 
1295.663,0.3206250 1296.145,0.2457070 1296.627,0.3336300 1297.109,0.5135230 
1297.591,0.3489610 1298.073,1.9966001E-02 1298.555,0.1180440 
1299.037,0.4926070 1299.520,0.8091160 1300.002,0.5702250 1300.484,0.2966500 
1300.966,0.1160510 1301.448,0.2408490 1301.930,0.2020420 1302.412,0.1040190 
1302.894,0.0000000E+00 
##MOLFORM=Ca Cu0.68 H4 K O9 S2
##RESOLUTION=4
##PRESSURE=100
##TEMPERATURE=26.85
##END=
