##TITLE=1000174
##JCAMP-DX=4.24
##DATA TYPE=RAMAN SPECTRUM
##SOURCE REFERENCE=http://solsa.crystallography.net/rod/1000174.rod
##OWNER=PUBLIC DOMAIN
##XUNITS=1/CM
##YUNITS=ARBITRARY UNITS
##FIRSTX=93.97052
##LASTX=1284.798
##XFACTOR=1
##YFACTOR=1
##NPOINTS=2471
##FIRSTY=0.0000000E+00
##LASTY=0.0000000E+00
##XYPOINTS=(XY..XY)
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97.82745,0.5433350 98.30956,6.3415997E-02 98.79168,1.651642 99.27380,3.141068 
99.75591,4.300262 100.2380,5.025345 100.7201,4.918289 101.2023,3.720169 
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146.5212,2.056915 147.0033,2.377045 147.4854,3.113541 147.9675,3.440002 
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165.8058,18.19519 166.2880,18.17401 166.7701,18.43051 167.2522,18.85015 
167.7343,19.37066 168.2164,20.03465 168.6985,20.58766 169.1807,20.64624 
169.6628,20.56531 170.1449,20.81460 170.6270,21.68175 171.1091,22.91646 
171.5912,23.98355 172.0734,24.93906 172.5555,25.59377 173.0376,25.60825 
173.5197,25.38371 174.0018,25.52112 174.4839,26.46049 174.9661,28.03257 
175.4482,29.20950 175.9303,29.66676 176.4124,30.03848 176.8945,30.43698 
177.3766,30.87542 177.8588,31.34302 178.3409,31.78676 178.8230,32.19398 
179.3051,32.86248 179.7872,34.01608 180.2693,35.27725 180.7515,36.63578 
181.2336,37.99812 181.7157,39.16470 182.1978,39.92868 182.6799,40.20120 
183.1620,40.81223 183.6441,41.93794 184.1263,43.11804 184.6084,44.11712 
185.0905,44.97845 185.5726,45.95441 186.0547,47.25449 186.5368,48.91696 
187.0190,50.30355 187.5011,51.23374 187.9832,52.02429 188.4653,52.83194 
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196.6613,71.10639 197.1434,71.67032 197.6255,72.80487 198.1077,74.33789 
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223.6598,97.66603 224.1419,98.35502 224.6240,99.07474 225.1062,99.83289 
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254.5153,95.63629 254.9974,91.87280 255.4795,88.15001 255.9616,84.52035 
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262.2291,46.53020 262.7112,44.24313 263.1934,41.84210 263.6755,39.14636 
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415.5421,10.82792 416.0242,11.00819 416.5063,11.89001 416.9885,13.18193 
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419.3990,14.63547 419.8812,15.74958 420.3633,16.44949 420.8454,16.99190 
421.3275,17.59725 421.8096,18.31770 422.2917,19.07323 422.7739,19.76746 
423.2560,20.40474 423.7381,21.11010 424.2202,21.92374 424.7023,22.78003 
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427.1129,29.56313 427.5950,31.08175 428.0771,31.72454 428.5593,32.49139 
429.0414,33.99334 429.5235,35.92160 430.0056,37.50218 430.4877,38.50661 
430.9698,39.68290 431.4520,41.65712 431.9341,44.01961 432.4162,45.82571 
432.8983,46.76083 433.3804,47.65356 433.8625,49.59447 434.3447,52.78212 
434.8268,55.33911 435.3089,56.58405 435.7910,57.70925 436.2731,59.44313 
436.7552,61.73721 437.2374,64.28477 437.7195,66.93333 438.2016,69.64469 
438.6837,72.22964 439.1658,74.46217 439.6479,76.86661 440.1301,79.62600 
440.6122,82.47855 441.0943,85.17680 441.5764,87.65758 442.0585,90.02387 
442.5406,92.39159 443.0227,94.80257 443.5049,96.96167 443.9870,98.39247 
444.4691,100.0622 444.9512,102.5292 445.4333,105.3661 445.9154,107.9276 
446.3976,109.8581 446.8797,111.3182 447.3618,112.6034 447.8439,113.5748 
448.3260,114.6716 448.8081,116.0620 449.2903,117.5977 449.7724,119.0945 
450.2545,120.5919 450.7366,122.4333 451.2187,125.2225 451.7008,128.6457 
452.1830,131.1296 452.6651,132.1842 453.1472,133.4016 453.6293,135.7712 
454.1114,138.8950 454.5935,142.3335 455.0757,146.0405 455.5578,149.8458 
456.0399,153.6445 456.5220,157.4811 457.0041,161.4630 457.4862,165.5881 
457.9684,169.8960 458.4505,174.6436 458.9326,179.8506 459.4147,184.7579 
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463.7538,223.2299 464.2359,225.6386 464.7180,227.3869 465.2001,228.3353 
465.6822,228.4459 466.1643,227.6712 466.6465,225.8063 467.1286,222.5878 
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473.3961,131.6446 473.8782,123.9344 474.3603,116.6571 474.8424,109.8181 
475.3246,103.2647 475.8067,96.98192 476.2888,90.93371 476.7709,84.85945 
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481.1100,47.71131 481.5920,44.65101 482.0742,42.02222 482.5563,39.59484 
483.0384,37.15282 483.5205,34.71194 484.0026,32.44446 484.4847,30.36335 
484.9669,28.43304 485.4490,26.68592 485.9311,25.06004 486.4132,23.38676 
486.8953,21.60098 487.3774,19.95718 487.8596,18.93509 488.3417,18.89239 
488.8238,18.47188 489.3059,17.46567 489.7880,16.34967 490.2701,15.27579 
490.7523,14.28563 491.2344,13.41120 491.7165,12.67902 492.1986,12.06559 
492.6807,11.53981 493.1628,11.18899 493.6450,10.68858 494.1271,9.705513 
494.6092,8.746517 495.0913,8.217606 495.5734,8.105495 496.0555,8.005199 
496.5377,7.703327 497.0198,7.198402 497.5019,6.416180 497.9840,5.282265 
498.4661,4.209599 498.9482,3.388443 499.4304,2.787487 499.9125,2.305565 
500.3946,1.873959 500.8767,1.712921 501.3588,2.271996 501.8409,3.084770 
502.3231,3.228302 502.8052,2.507156 503.2873,1.583179 503.7694,1.050705 
504.2515,0.9234850 504.7336,0.9421390 505.2158,1.334393 505.6979,1.602440 
506.1800,1.492229 506.6621,1.167320 507.1442,0.8475110 507.6263,0.6186030 
508.1085,0.4977490 508.5906,0.5532680 509.0727,0.9079360 509.5548,0.9924390 
510.0369,0.6033400 510.5190,0.1452260 511.0012,0.3774830 511.4833,0.8382490 
511.9654,0.9903370 512.4475,0.6575810 512.9296,0.1341710 
513.4117,4.8399999E-04 513.8939,0.3212200 514.3760,0.4913480 
514.8581,0.2083130 515.3402,9.2964001E-02 515.8223,9.9109998E-03 
516.3044,0.4541020 516.7866,0.8024330 517.2687,0.7967450 517.7508,0.6400260 
518.2329,0.6028400 518.7150,0.6777990 519.1971,0.6886330 519.6793,0.5079570 
520.1614,0.2660330 520.6435,0.3002550 521.1256,0.7337070 521.6077,1.025864 
522.0898,0.9758640 522.5720,0.8253630 523.0541,0.7354740 523.5362,0.7427980 
524.0183,0.9003030 524.5004,1.278629 524.9825,1.793640 525.4647,2.002411 
525.9468,1.593067 526.4289,1.311523 526.9110,1.397530 527.3931,1.508869 
527.8752,1.328682 528.3574,0.8490490 528.8395,0.3142320 529.3216,0.1413350 
529.8037,0.4790270 530.2858,0.3618930 530.7679,0.5187570 531.2501,1.135063 
531.7322,0.7871890 532.2143,6.8832003E-02 532.6964,0.4594960 
533.1785,0.7115210 533.6606,0.7956580 534.1428,0.6312290 534.6249,0.3792720 
535.1070,0.4409900 535.5891,0.8888930 536.0712,1.358265 536.5533,1.567642 
537.0355,1.559677 537.5176,1.620781 537.9997,1.775810 538.4818,1.962605 
538.9639,2.220753 539.4460,2.475773 539.9282,2.609703 540.4103,2.610752 
540.8924,2.589916 541.3745,2.650612 541.8566,2.791374 542.3387,3.069340 
542.8209,3.695248 543.3029,4.205204 543.7850,4.451492 544.2672,4.560123 
544.7493,4.682972 545.2314,4.858818 545.7135,4.994678 546.1956,4.893993 
546.6777,4.597675 547.1599,4.655518 547.6420,5.290436 548.1241,5.866611 
548.6062,5.850784 549.0883,5.542294 549.5704,5.400455 550.0526,5.489323 
550.5347,5.778469 551.0168,6.378479 551.4989,7.143372 551.9810,7.791611 
552.4631,8.265678 552.9453,8.577168 553.4274,8.698036 553.9095,8.627617 
554.3916,8.702400 554.8737,9.072651 555.3558,9.385262 555.8380,9.420170 
556.3201,9.400963 556.8022,9.636948 557.2843,10.19084 557.7664,10.83575 
558.2485,11.30756 558.7307,11.59541 559.2128,11.94178 559.6949,12.32449 
560.1770,12.80215 560.6591,13.53928 561.1412,14.30637 561.6234,14.80525 
562.1055,14.94674 562.5876,14.97929 563.0697,15.05402 563.5518,15.18980 
564.0339,15.49903 564.5161,16.03639 564.9982,16.52528 565.4803,16.68370 
565.9624,16.63416 566.4445,16.90992 566.9266,17.69851 567.4088,18.54225 
567.8909,19.37117 568.3730,20.11692 568.8551,20.61803 569.3372,20.88683 
569.8193,21.20299 570.3015,21.86186 570.7836,22.85068 571.2657,23.60893 
571.7478,23.84336 572.2299,24.18153 572.7120,24.81349 573.1942,25.57565 
573.6763,26.22073 574.1584,26.72989 574.6405,27.39500 575.1226,28.62634 
575.6047,30.27061 576.0869,31.72376 576.5690,33.05128 577.0511,33.83142 
577.5332,33.35872 578.0153,32.52000 578.4974,32.80372 578.9796,34.48047 
579.4617,36.03123 579.9438,36.77880 580.4259,37.20098 580.9080,37.82880 
581.3901,38.67797 581.8723,39.47440 582.3544,39.99230 582.8365,40.40207 
583.3186,41.35090 583.8007,43.56831 584.2828,45.31180 584.7650,46.22129 
585.2471,46.92257 585.7292,47.73904 586.2113,48.75563 586.6934,50.01222 
587.1755,51.56033 587.6577,53.23920 588.1398,54.67917 588.6219,55.82793 
589.1040,56.91271 589.5861,57.91578 590.0682,59.10546 590.5504,60.79519 
591.0325,62.89020 591.5146,64.77095 591.9967,66.02503 592.4788,67.17421 
592.9609,68.64222 593.4431,70.35686 593.9252,72.13408 594.4073,73.91239 
594.8894,75.60616 595.3715,77.03949 595.8536,78.02647 596.3358,79.63854 
596.8179,82.73573 597.3000,85.41042 597.7821,86.72049 598.2642,87.29419 
598.7463,88.03954 599.2285,89.27124 599.7106,90.70663 600.1927,91.94675 
600.6748,93.01427 601.1569,94.51504 601.6390,96.74919 602.1212,98.81795 
602.6033,100.0378 603.0854,100.8082 603.5675,101.7392 604.0496,103.0616 
604.5317,104.0826 605.0139,104.2884 605.4960,104.0558 605.9781,103.8907 
606.4602,103.8635 606.9423,103.9024 607.4244,103.9809 607.9066,104.0588 
608.3887,103.9466 608.8708,103.5131 609.3529,103.0683 609.8350,102.7506 
610.3171,102.3256 610.7993,101.5481 611.2814,100.4967 611.7635,99.50729 
612.2456,98.87536 612.7277,98.29321 613.2098,96.95678 613.6920,94.76569 
614.1741,92.93473 614.6562,91.89331 615.1383,91.12061 615.6204,90.11605 
616.1025,88.91171 616.5847,87.69063 617.0668,86.40437 617.5489,85.19753 
618.0310,84.28320 618.5131,83.49452 618.9952,82.38734 619.4774,80.84882 
619.9595,79.38783 620.4416,78.67805 620.9237,78.79920 621.4058,78.40919 
621.8879,76.95628 622.3701,75.65636 622.8522,74.83088 623.3343,74.24584 
623.8164,73.76479 624.2985,73.32155 624.7806,72.70766 625.2628,71.50533 
625.7448,70.03719 626.2269,69.42954 626.7090,69.83379 627.1912,69.74025 
627.6733,68.15820 628.1554,65.87379 628.6375,64.48801 629.1196,64.19805 
629.6017,63.61077 630.0839,62.20518 630.5660,60.76125 631.0481,59.88503 
631.5302,59.39437 632.0123,58.77126 632.4944,57.77444 632.9766,56.63174 
633.4587,55.83033 633.9408,55.52053 634.4229,54.70087 634.9050,53.17619 
635.3871,51.36732 635.8693,49.24209 636.3514,47.07157 636.8335,45.27916 
637.3156,44.02380 637.7977,42.98668 638.2798,42.04836 638.7620,41.09053 
639.2441,39.91254 639.7262,38.53295 640.2083,37.10397 640.6904,35.68777 
641.1725,34.26421 641.6547,32.81143 642.1368,31.18387 642.6189,29.79191 
643.1010,28.76105 643.5831,27.84088 644.0652,27.01127 644.5474,26.17406 
645.0295,25.03344 645.5116,23.35471 645.9937,21.57940 646.4758,20.54996 
646.9579,20.28046 647.4401,19.91597 647.9222,19.28053 648.4043,18.54532 
648.8864,17.86037 649.3685,17.22285 649.8506,16.59127 650.3328,16.04013 
650.8149,15.31199 651.2970,14.06390 651.7791,12.75253 652.2612,12.00338 
652.7433,11.81560 653.2255,11.69992 653.7076,11.29478 654.1897,10.67833 
654.6718,10.11500 655.1539,9.564480 655.6360,9.210506 656.1182,9.444965 
656.6003,9.498581 657.0824,8.782032 657.5645,7.532333 658.0466,6.506092 
658.5287,6.007072 659.0109,5.795860 659.4930,5.817989 659.9751,5.941952 
660.4572,5.730232 660.9393,5.079800 661.4214,4.405548 661.9036,4.075207 
662.3857,4.056374 662.8678,3.995125 663.3499,3.726917 663.8320,3.637077 
664.3141,4.045708 664.7963,4.426003 665.2784,4.308346 665.7605,3.748978 
666.2426,3.128658 666.7247,2.644230 667.2068,2.288078 667.6890,2.055603 
668.1711,1.946621 668.6532,1.916573 669.1353,1.989338 669.6174,2.038651 
670.0995,1.890549 670.5817,1.586052 671.0638,1.502113 671.5459,1.973885 
672.0280,2.260685 672.5101,2.032124 672.9922,1.557072 673.4744,1.032734 
673.9565,0.5476650 674.4386,0.2361790 674.9207,0.2188260 675.4028,0.4167180 
675.8849,0.5994030 676.3671,0.7932320 676.8492,0.8493040 677.3313,0.6538660 
677.8134,0.4052700 678.2955,0.2501410 678.7776,0.1727980 679.2598,0.1257210 
679.7419,0.1954460 680.2240,0.1696740 680.7061,0.2120060 681.1882,0.7209700 
681.6703,1.000217 682.1525,0.9927100 682.6346,0.8299600 683.1167,0.5806160 
683.5988,0.3115230 684.0809,0.3959500 684.5630,1.119404 685.0452,1.570717 
685.5273,1.518845 686.0094,1.253761 686.4915,0.8259280 686.9736,0.3149800 
687.4557,0.1028330 687.9379,0.4033740 688.4200,0.5119440 688.9021,0.2296710 
689.3842,0.2746850 689.8663,0.6185800 690.3484,0.7338790 690.8306,0.7001270 
691.3127,0.5606350 691.7948,0.3401490 692.2769,0.1591260 
692.7590,2.5795000E-02 693.2411,9.6332997E-02 693.7233,3.6010999E-02 
694.2054,0.1197090 694.6875,0.4872360 695.1696,0.9256820 695.6517,1.069263 
696.1339,0.6742710 696.6160,0.1943860 697.0981,0.2086940 697.5802,0.5652010 
698.0623,0.7030640 698.5444,0.5257870 699.0266,0.3092730 699.5087,0.2450410 
699.9908,0.2917100 700.4729,0.2904700 700.9550,0.1532290 701.4371,0.1051290 
701.9193,0.3083800 702.4014,0.4543690 702.8835,0.2342150 703.3656,0.1736030 
703.8477,0.3386570 704.3298,5.4770999E-02 704.8120,0.3244780 
705.2941,0.3081320 705.7762,8.1439996E-03 706.2583,0.1078910 
706.7404,9.8536998E-02 707.2225,0.2121810 707.7046,5.2464001E-02 
708.1867,0.5259170 708.6688,0.7626950 709.1509,0.6348300 709.6331,0.6108210 
710.1152,0.8523290 710.5973,1.077515 711.0794,1.152039 711.5615,1.081490 
712.0436,0.8250390 712.5258,0.3766210 713.0079,2.4375999E-02 
713.4900,0.2217180 713.9721,0.8391150 714.4542,1.130970 714.9363,1.034508 
715.4185,0.8773960 715.9006,0.7794230 716.3827,0.7387350 716.8648,0.7495160 
717.3469,0.8037150 717.8290,0.9449920 718.3112,1.332619 718.7933,1.642197 
719.2754,1.644951 719.7575,1.502598 720.2396,1.435013 720.7217,1.513981 
721.2039,1.658318 721.6860,1.830276 722.1681,1.994503 722.6502,1.974834 
723.1323,1.741711 723.6144,1.583012 724.0966,1.649216 724.5787,1.736153 
725.0608,1.544502 725.5429,1.082104 726.0250,0.8437840 726.5071,0.8851280 
726.9893,1.118031 727.4714,1.765583 727.9535,2.438293 728.4356,2.589943 
728.9177,2.248676 729.3998,1.975590 729.8820,2.224293 730.3641,2.728821 
730.8462,2.851372 731.3283,2.577145 731.8104,2.327797 732.2925,2.184406 
732.7747,2.070557 733.2568,1.826065 733.7389,1.550350 734.2210,1.724506 
734.7031,2.827438 735.1852,3.634014 735.6674,3.902508 736.1495,3.777554 
736.6316,3.033043 737.1137,2.013176 737.5958,1.612049 738.0779,2.314793 
738.5601,3.371437 739.0422,3.626499 739.5243,3.169888 740.0064,2.790932 
740.4885,2.536911 740.9706,2.501427 741.4528,2.850636 741.9349,3.347763 
742.4170,3.430580 742.8991,2.973564 743.3812,2.678791 743.8633,2.747517 
744.3455,2.875191 744.8276,2.889454 745.3097,2.849712 745.7918,2.864750 
746.2739,2.969112 746.7560,3.109356 747.2382,3.265388 747.7203,3.386600 
748.2024,3.267727 748.6845,2.908844 749.1666,2.753681 749.6487,3.022449 
750.1309,3.380100 750.6130,3.419815 751.0951,3.109550 751.5772,2.906067 
752.0593,2.867203 752.5414,2.821724 753.0236,2.702290 753.5057,2.595104 
753.9878,2.679947 754.4699,2.892563 754.9520,2.895420 755.4341,2.396431 
755.9163,1.803902 756.3984,1.772331 756.8805,2.168137 757.3626,2.377071 
757.8447,2.287815 758.3268,2.117458 758.8090,2.010788 759.2911,1.954269 
759.7732,1.902187 760.2553,1.821140 760.7374,1.843891 761.2195,2.103325 
761.7017,2.326096 762.1838,2.357758 762.6659,2.247383 763.1480,2.108391 
763.6301,1.982063 764.1122,1.879780 764.5944,1.820446 765.0765,1.774017 
765.5586,1.682148 766.0407,1.567562 766.5228,1.553513 767.0049,1.695385 
767.4871,1.845535 767.9692,1.795189 768.4513,1.528519 768.9334,1.390305 
769.4155,1.470520 769.8976,1.528618 770.3798,1.620312 770.8619,1.561806 
771.3440,1.068855 771.8261,0.2798000 772.3082,0.1659130 772.7903,8.0605000E-02 
773.2725,0.5685350 773.7546,1.211491 774.2367,1.795319 774.7188,1.961803 
775.2009,1.692287 775.6830,1.150070 776.1652,0.3958510 776.6473,0.3492660 
777.1294,0.5091900 777.6115,7.5449999E-03 778.0936,0.4913290 
778.5757,0.8828810 779.0579,1.274693 779.5400,1.872448 780.0221,2.428879 
780.5042,2.457485 780.9863,1.806202 781.4684,1.322849 781.9506,1.310081 
782.4327,1.431049 782.9148,1.575012 783.3969,1.661095 783.8790,1.490906 
784.3611,1.069832 784.8433,0.7927060 785.3254,1.135063 785.8075,1.824154 
786.2896,1.984501 786.7717,1.606781 787.2538,1.327564 787.7360,1.337841 
788.2181,1.382481 788.7002,1.216549 789.1823,0.8702890 789.6644,0.6068570 
790.1465,0.3498150 790.6286,0.2799260 791.1107,0.6379660 791.5928,0.9755520 
792.0750,0.9863740 792.5571,0.7553790 793.0392,0.4588430 793.5213,0.1364250 
794.0034,2.5169000E-02 794.4855,0.3030240 794.9677,0.8357580 795.4498,1.028412 
795.9319,0.8864480 796.4140,0.5975610 796.8961,0.2175790 
797.3782,3.7491001E-02 797.8604,0.1836050 798.3425,0.9142300 798.8246,1.305576 
799.3067,1.113686 799.7888,1.025513 800.2709,1.495468 800.7531,1.902275 
801.2352,1.601048 801.7173,0.7640300 802.1994,0.2930340 802.6815,0.7078250 
803.1636,1.119392 803.6458,0.9367490 804.1279,0.5810810 804.6100,0.5972520 
805.0921,0.9409030 805.5742,1.234501 806.0563,1.274410 806.5385,1.148109 
807.0206,0.9404980 807.5027,0.6653250 807.9848,0.5210040 808.4669,0.5201800 
808.9490,0.6441420 809.4312,0.9579620 809.9133,1.291611 810.3954,1.363747 
810.8775,1.115891 811.3596,0.9881210 811.8417,1.079414 812.3239,1.163177 
812.8060,1.143997 813.2881,1.114712 813.7702,1.184162 814.2523,1.335827 
814.7344,1.434361 815.2166,1.328182 815.6987,1.322239 816.1808,1.988487 
816.6629,2.930145 817.1450,3.181458 817.6271,2.691574 818.1093,2.087563 
818.5914,1.707176 819.0735,1.534153 819.5556,1.569290 820.0377,1.856594 
820.5198,2.065292 821.0020,2.125782 821.4841,2.246227 821.9662,2.698448 
822.4483,3.107800 822.9304,2.955029 823.4125,2.262753 823.8947,1.796413 
824.3768,1.909966 824.8589,2.036907 825.3410,1.884048 825.8231,1.646122 
826.3052,1.618557 826.7874,1.741177 827.2695,1.606888 827.7516,0.9090420 
828.2337,0.2295230 828.7158,0.6332360 829.1979,1.790886 829.6801,2.239185 
830.1622,1.843369 830.6443,1.426044 831.1264,1.387543 831.6085,1.546268 
832.0906,1.610397 832.5728,1.567909 833.0549,1.512653 833.5370,1.382885 
834.0191,1.331779 834.5012,1.349300 834.9833,1.478867 835.4655,1.903328 
835.9476,2.510891 836.4297,2.823284 836.9118,2.526852 837.3939,2.179237 
837.8760,2.092846 838.3582,2.112087 838.8403,2.040646 839.3224,1.900639 
839.8045,1.851864 840.2866,1.971344 840.7687,2.122372 841.2509,2.057873 
841.7330,1.839981 842.2151,1.906448 842.6972,2.291153 843.1793,2.496990 
843.6614,2.319149 844.1436,1.961674 844.6257,1.598423 845.1078,1.235531 
845.5899,1.251236 846.0720,1.254566 846.5541,2.230671 847.0363,5.524815 
847.5184,8.601795 848.0005,9.714336 848.4826,9.415867 848.9647,9.119431 
849.4468,9.196514 849.9290,9.224388 850.4111,8.855118 850.8932,8.415573 
851.3753,8.238106 851.8574,8.274139 852.3395,8.333645 852.8217,8.360092 
853.3038,8.515617 853.7859,9.091831 854.2680,9.851276 854.7501,9.921703 
855.2322,9.270527 855.7144,8.568741 856.1965,7.994328 856.6786,7.319622 
857.1607,6.307133 857.6428,5.126247 858.1249,4.299282 858.6071,4.063488 
859.0892,3.670105 859.5713,2.755318 860.0534,2.118549 860.5355,2.182407 
861.0176,2.603485 861.4998,3.091602 861.9819,3.567841 862.4640,3.657372 
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864.8746,3.260456 865.3567,3.000629 865.8388,2.760635 866.3209,2.896400 
866.8030,3.138409 867.2852,3.015495 867.7673,2.611542 868.2494,2.368923 
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870.6600,1.279579 871.1421,1.921196 871.6242,2.433903 872.1063,2.875679 
872.5884,3.093349 873.0705,2.823486 873.5526,2.554249 874.0347,2.657581 
874.5168,2.953766 874.9990,2.978882 875.4811,2.583458 875.9632,2.150055 
876.4453,1.711067 876.9274,1.380325 877.4095,1.293022 877.8917,1.355511 
878.3738,1.411007 878.8559,1.421669 879.3380,1.446594 879.8201,1.552135 
880.3022,1.674324 880.7844,1.719810 881.2665,1.691620 881.7486,1.544994 
882.2307,1.288204 882.7128,1.167023 883.1949,1.345768 883.6771,1.720276 
884.1592,2.112694 884.6413,2.557125 885.1234,2.750652 885.6055,2.607910 
886.0876,2.426941 886.5698,2.349648 887.0519,2.236561 887.5340,1.817581 
888.0161,1.135151 888.4982,0.8306770 888.9803,1.262936 889.4625,1.592327 
889.9446,1.509239 890.4267,1.435532 890.9088,1.852421 891.3909,2.446396 
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893.8015,1.012589 894.2836,1.237534 894.7657,1.479755 895.2479,1.405716 
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901.5154,0.1523020 901.9975,0.1322210 902.4796,0.2667580 902.9617,0.3006940 
903.4438,0.2837790 903.9260,0.1246220 904.4081,0.4481510 904.8902,1.186241 
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907.3008,1.3120000E-03 907.7829,8.8959998E-03 908.2650,1.3079999E-03 
908.7471,4.5471001E-02 909.2292,0.1520840 909.7114,0.2370530 
910.1935,0.1977920 910.6756,0.2036440 911.1577,0.6146740 911.6398,1.117737 
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914.0504,0.2930340 914.5325,0.1575890 915.0146,2.4375999E-02 
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920.3179,0.1714360 920.8000,0.1950150 921.2822,0.1074260 
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923.2106,3.1273000E-02 923.6927,0.4472120 924.1749,0.6140590 
924.6570,0.1173550 925.1391,0.4647900 925.6212,0.7384640 926.1033,0.7207450 
926.5854,0.4415550 927.0676,0.1030430 927.5497,0.4350970 
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929.9603,0.8381420 930.4424,0.3451080 930.9245,4.5738000E-02 
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933.3351,1.702274 933.8172,1.727051 934.2993,1.779255 934.7814,1.930256 
935.2635,2.127823 935.7457,2.338840 936.2278,2.531487 936.7099,2.475101 
937.1920,2.070732 937.6741,1.736942 938.1563,1.089325 938.6384,1.575672 
939.1205,4.864418 939.6026,9.084923 940.0847,10.86683 940.5668,9.843479 
941.0490,8.538853 941.5311,6.455032 942.0132,4.776691 942.4953,3.647137 
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946.8344,6.284660 947.3165,6.041832 947.7986,5.868858 948.2807,5.868664 
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950.6913,6.856445 951.1734,7.538746 951.6555,8.215664 952.1376,8.582695 
952.6198,8.579735 953.1019,8.741989 953.5840,9.686131 954.0661,11.03312 
954.5482,11.85924 955.0303,12.23076 955.5124,12.49435 955.9945,12.70278 
956.4766,13.16588 956.9587,14.05411 957.4409,15.27555 957.9230,16.70482 
958.4051,18.34873 958.8872,20.05216 959.3693,21.89947 959.8514,23.40393 
960.3336,24.28044 960.8157,25.21223 961.2978,26.68863 961.7799,28.60326 
962.2620,30.64565 962.7441,32.81375 963.2263,35.05321 963.7084,36.98664 
964.1905,39.50026 964.6726,42.84455 965.1547,46.82187 965.6368,51.27103 
966.1190,56.22473 966.6011,61.81004 967.0832,68.06805 967.5653,74.92537 
968.0474,81.70634 968.5295,89.84652 969.0117,99.44476 969.4938,111.2245 
969.9759,125.4044 970.4580,142.4287 970.9401,164.2040 971.4222,192.2964 
971.9044,223.9830 972.3865,259.9356 972.8686,296.7445 973.3507,331.9528 
973.8328,364.4924 974.3149,392.2393 974.7971,414.8718 975.2792,436.0800 
975.7613,456.3498 976.2434,479.2233 976.7255,508.1252 977.2076,543.6772 
977.6898,587.4527 978.1719,639.7247 978.6540,698.7863 979.1361,764.2003 
979.6182,838.2545 980.1003,921.7830 980.5825,1017.251 981.0646,1128.421 
981.5467,1255.973 982.0288,1410.341 982.5109,1592.953 982.9930,1797.527 
983.4752,2025.210 983.9573,2244.521 984.4394,2408.527 984.9215,2517.639 
985.4036,2494.656 985.8857,2326.602 986.3679,2091.004 986.8500,1789.346 
987.3321,1479.646 987.8142,1201.932 988.2963,958.6422 988.7784,758.0210 
989.2606,604.9074 989.7427,481.1108 990.2248,392.5656 990.7069,322.1979 
991.1890,268.1804 991.6711,226.0610 992.1533,193.3534 992.6354,169.1112 
993.1175,148.1394 993.5996,130.9789 994.0817,116.1897 994.5638,104.5886 
995.0460,94.24725 995.5281,84.27367 996.0102,75.34159 996.4923,68.55627 
996.9744,63.68044 997.4565,58.93174 997.9387,53.70553 998.4208,49.07113 
998.9029,45.43648 999.3850,42.35054 999.8671,39.85099 1000.349,37.59038 
1000.831,35.07063 1001.313,32.27308 1001.796,29.74298 1002.278,27.81437 
1002.760,26.05184 1003.242,24.12029 1003.724,22.33775 1004.206,21.04427 
1004.688,20.10728 1005.170,19.25642 1005.653,18.40401 1006.135,17.48607 
1006.617,16.39926 1007.099,15.30570 1007.581,14.29130 1008.063,13.41042 
1008.545,12.85676 1009.027,12.50123 1009.509,11.97294 1009.992,11.14746 
1010.474,10.17820 1010.956,9.073757 1011.438,8.050938 1011.920,7.509998 
1012.402,7.289047 1012.884,7.050926 1013.366,6.742542 1013.849,6.351673 
1014.331,5.875278 1014.813,5.428509 1015.295,5.094734 1015.777,4.920670 
1016.259,5.194767 1016.741,5.761383 1017.223,5.814484 1017.705,5.276028 
1018.188,4.721401 1018.670,4.449959 1019.152,4.225735 1019.634,3.703865 
1020.116,2.954140 1020.598,2.223980 1021.080,1.528740 1021.562,1.289299 
1022.044,1.599712 1022.527,2.011318 1023.009,2.303539 1023.491,2.365990 
1023.973,1.959728 1024.455,1.122498 1024.937,0.4894750 1025.419,7.0816003E-02 
1025.901,0.1893620 1026.384,0.2718240 1026.866,0.3353840 1027.348,0.4875340 
1027.830,0.6631130 1028.312,0.7443620 1028.794,0.7303620 1029.276,0.6627540 
1029.758,0.5669250 1030.240,0.2810820 1030.723,0.3919260 1031.205,0.8565790 
1031.687,0.6458020 1032.169,5.3668998E-02 1032.651,0.3464090 
1033.133,0.5523410 1033.615,0.5606500 1034.097,0.1850970 
1034.579,4.4018000E-02 1035.062,0.5017400 1035.544,0.8264160 
1036.026,0.3065410 1036.508,0.5350950 1036.990,0.4969440 1037.472,0.6933750 
1037.954,1.223907 1038.436,0.5527230 1038.919,8.7246001E-02 1039.401,0.1727290 
1039.883,0.4167710 1040.365,0.6773220 1040.847,0.8873750 1041.329,0.8710170 
1041.811,0.5621110 1042.293,0.3764110 1042.776,0.4042280 1043.258,0.4373170 
1043.740,0.4552880 1044.222,0.4492150 1044.704,0.4416470 1045.186,0.3967250 
1045.668,0.2259520 1046.150,9.9345997E-02 1046.632,0.3790250 
1047.115,0.6245350 1047.597,0.7765920 1048.079,0.7326850 1048.561,0.6751250 
1049.043,0.7012630 1049.525,0.8132400 1050.007,1.031033 1050.489,1.369808 
1050.971,1.639328 1051.454,1.691113 1051.936,1.819595 1052.418,2.224705 
1052.900,2.627880 1053.382,2.822586 1053.864,2.871487 1054.346,2.874752 
1054.828,2.843693 1055.311,2.921463 1055.793,3.303764 1056.275,3.586830 
1056.757,3.458435 1057.239,3.349907 1057.721,3.598454 1058.203,4.091961 
1058.685,4.613995 1059.167,5.129337 1059.650,5.687374 1060.132,6.460175 
1060.614,7.068218 1061.096,7.222923 1061.578,7.303249 1062.060,7.537006 
1062.542,7.929573 1063.024,8.482174 1063.506,9.180347 1063.989,9.874886 
1064.471,10.56201 1064.953,11.16874 1065.435,11.56028 1065.917,11.96395 
1066.399,12.60113 1066.881,13.34472 1067.363,13.92852 1067.846,14.35034 
1068.328,14.96066 1068.810,16.04587 1069.292,17.06859 1069.774,17.67843 
1070.256,18.24829 1070.738,19.06133 1071.220,20.01562 1071.703,21.04881 
1072.185,22.08102 1072.667,22.81898 1073.149,23.02549 1073.631,23.22157 
1074.113,23.51288 1074.595,24.02438 1075.077,25.01773 1075.559,26.17818 
1076.042,27.13946 1076.524,27.85937 1077.006,28.40456 1077.488,28.68893 
1077.970,29.16089 1078.452,30.40787 1078.934,31.50116 1079.416,31.56913 
1079.898,31.30111 1080.380,31.50574 1080.863,32.19187 1081.345,33.05744 
1081.827,34.09555 1082.309,34.86281 1082.791,35.19365 1083.273,35.15004 
1083.755,34.34241 1084.237,33.51415 1084.720,33.60353 1085.202,34.32359 
1085.684,34.74485 1086.166,34.61569 1086.648,34.34393 1087.130,34.19326 
1087.612,33.83424 1088.094,32.82782 1088.577,31.78765 1089.059,31.38087 
1089.541,31.33126 1090.023,30.95487 1090.505,30.09153 1090.987,29.22169 
1091.469,28.50669 1091.951,27.88169 1092.433,27.36777 1092.916,26.81647 
1093.398,26.23390 1093.880,25.56585 1094.362,24.59125 1094.844,23.29200 
1095.326,22.01738 1095.808,20.81443 1096.290,19.86503 1096.772,19.40953 
1097.255,18.94617 1097.737,18.02773 1098.219,16.98464 1098.701,16.31820 
1099.183,16.02723 1099.665,15.66616 1100.147,14.99564 1100.629,14.49544 
1101.112,14.71361 1101.594,14.63145 1102.076,13.32757 1102.558,11.78989 
1103.040,11.14792 1103.522,11.23666 1104.004,11.13103 1104.486,10.59869 
1104.969,10.15004 1105.451,9.900848 1105.933,9.716736 1106.415,9.553928 
1106.897,9.433929 1107.379,9.400848 1107.861,9.418659 1108.343,9.471306 
1108.825,9.647678 1109.307,9.333084 1109.790,7.866905 1110.272,6.770020 
1110.754,6.406368 1111.236,6.434689 1111.718,6.931786 1112.200,7.554581 
1112.682,7.684307 1113.164,7.282394 1113.647,7.087215 1114.129,7.316711 
1114.611,7.386505 1115.093,7.001266 1115.575,6.805351 1116.057,7.173031 
1116.539,7.774776 1117.021,8.288643 1117.504,8.704872 1117.986,8.939384 
1118.468,8.873302 1118.950,8.907059 1119.432,9.073914 1119.914,9.287521 
1120.396,9.572979 1120.878,9.802044 1121.360,9.802273 1121.843,9.704960 
1122.325,9.873837 1122.807,10.28710 1123.289,11.18317 1123.771,12.82814 
1124.253,14.04042 1124.735,14.49932 1125.217,14.65482 1125.699,14.68203 
1126.182,14.81581 1126.664,15.50031 1127.146,16.70073 1127.628,17.75595 
1128.110,18.62597 1128.592,19.72667 1129.074,21.16351 1129.556,22.34670 
1130.039,22.92322 1130.521,23.44300 1131.003,24.52777 1131.485,26.05169 
1131.967,27.70125 1132.449,29.44007 1132.931,30.43716 1133.413,30.69340 
1133.896,31.37487 1134.378,32.81167 1134.860,34.72578 1135.342,36.95293 
1135.824,39.25942 1136.306,41.22774 1136.788,42.91800 1137.270,44.41445 
1137.752,45.80798 1138.234,47.59986 1138.717,49.83985 1139.199,52.21496 
1139.681,54.58390 1140.163,56.55156 1140.645,57.48272 1141.127,58.00128 
1141.609,59.25445 1142.091,60.93932 1142.574,62.47951 1143.056,63.79141 
1143.538,64.83904 1144.020,65.64622 1144.502,66.47657 1144.984,67.56247 
1145.466,68.66553 1145.948,69.85925 1146.431,70.65923 1146.913,70.11000 
1147.395,68.79929 1147.877,67.90279 1148.359,67.49343 1148.841,66.89041 
1149.323,65.77892 1149.805,64.61027 1150.287,63.75494 1150.770,62.84615 
1151.252,61.54057 1151.734,60.08242 1152.216,58.91563 1152.698,57.79595 
1153.180,55.98650 1153.662,53.33889 1154.144,50.89386 1154.626,49.29810 
1155.109,47.50937 1155.591,44.92670 1156.073,42.32504 1156.555,40.16472 
1157.037,38.27942 1157.519,36.44460 1158.001,34.65327 1158.483,32.99964 
1158.966,31.62359 1159.448,30.04016 1159.930,27.69772 1160.412,25.84773 
1160.894,25.34850 1161.376,24.88180 1161.858,23.36181 1162.340,21.26344 
1162.822,19.61815 1163.305,18.44489 1163.787,17.33734 1164.269,16.29280 
1164.751,15.31950 1165.233,14.43218 1165.715,13.61961 1166.197,12.89292 
1166.679,12.18441 1167.161,11.37435 1167.644,10.57622 1168.126,10.32452 
1168.608,10.63342 1169.090,10.62633 1169.572,10.27010 1170.054,9.733574 
1170.536,9.075989 1171.018,8.170158 1171.500,6.884142 1171.983,5.818012 
1172.465,6.181507 1172.947,7.321732 1173.429,7.045029 1173.911,5.823517 
1174.393,5.437599 1174.875,5.907490 1175.357,5.984287 1175.840,5.229836 
1176.322,4.491892 1176.804,4.582716 1177.286,4.807705 1177.768,4.030611 
1178.250,3.034679 1178.732,3.112770 1179.214,3.812225 1179.697,4.205650 
1180.179,4.129293 1180.661,3.749361 1181.143,3.105999 1181.625,2.424442 
1182.107,1.716145 1182.589,1.166677 1183.071,1.025478 1183.553,0.9965000 
1184.036,0.7395310 1184.518,0.3960290 1185.000,0.3577920 1185.482,0.6509530 
1185.964,0.6784460 1186.446,7.2623998E-02 1186.928,0.4839230 
1187.410,0.1360400 1187.892,0.2881790 1188.375,0.6111260 1188.857,0.7932970 
1189.339,0.8099120 1189.821,0.6640570 1190.303,0.3069020 1190.785,0.3657760 
1191.267,0.6234650 1191.749,0.2842640 1192.232,2.7548000E-02 
1192.714,3.9963000E-02 1193.196,2.9041000E-02 1193.678,0.2399250 
1194.160,0.4239040 1194.642,0.3493520 1195.124,0.1020770 
1195.606,3.4685001E-02 1196.089,0.1486150 1196.571,0.4165570 
1197.053,0.8029160 1197.535,0.5628700 1198.017,0.4414920 1198.499,1.177883 
1198.981,0.9886490 1199.463,0.4508230 1199.945,0.3115710 1200.427,0.3789180 
1200.910,0.2711300 1201.392,6.6540003E-02 1201.874,1.5679999E-03 
1202.356,9.8930001E-03 1202.838,0.3941570 1203.320,1.161858 1203.802,1.485613 
1204.284,0.7463700 1204.767,0.1544270 1205.249,0.7173920 1205.731,0.9618590 
1206.213,0.7541500 1206.695,0.3439880 1207.177,9.0042002E-02 
1207.659,0.4455380 1208.141,0.5426960 1208.624,0.3342530 
1209.106,7.6196998E-02 1209.588,0.3149200 1210.070,0.5342140 
1210.552,0.4173390 1211.034,0.2306900 1211.516,2.2923000E-02 
1211.998,0.1181960 1212.480,8.4340997E-02 1212.963,8.6630002E-02 
1213.445,0.2819900 1213.927,0.5767170 1214.409,0.4605830 1214.891,0.2303580 
1215.373,0.6754020 1215.855,0.7028880 1216.337,0.5579220 1216.819,0.3629360 
1217.302,7.3017001E-02 1217.784,0.4212840 1218.266,0.9630370 1218.748,1.016251 
1219.230,0.6699540 1219.712,0.2850380 1220.194,7.2268002E-02 
1220.676,0.1858840 1221.159,1.5587000E-02 1221.641,0.2790110 
1222.123,0.6479210 1222.605,0.8937110 1223.087,0.6692010 1223.569,0.3581260 
1224.051,0.4767150 1224.533,0.7151780 1225.016,0.5712090 1225.498,0.2642020 
1225.980,0.4026180 1226.462,0.9680350 1226.944,1.176847 1227.426,0.5935020 
1227.908,0.1557430 1228.390,0.3394680 1228.872,0.4358460 1229.354,0.1931570 
1229.837,0.6887510 1230.319,0.1534460 1230.801,0.8689920 1231.283,1.424301 
1231.765,1.521429 1232.247,1.385769 1232.729,0.8290460 1233.211,0.6450080 
1233.694,0.9687120 1234.176,1.321285 1234.658,1.587412 1235.140,1.697636 
1235.622,1.565456 1236.104,1.392317 1236.586,1.655933 1237.068,2.173687 
1237.551,2.146685 1238.033,1.699373 1238.515,1.387239 1238.997,1.318750 
1239.479,1.402740 1239.961,1.571877 1240.443,1.642246 1240.925,1.374594 
1241.407,1.084084 1241.890,1.338255 1242.372,1.700899 1242.854,1.882946 
1243.336,1.923647 1243.818,1.762663 1244.300,1.429049 1244.782,1.364258 
1245.264,1.846712 1245.746,2.057035 1246.229,1.599192 1246.711,1.175299 
1247.193,0.8841860 1247.675,1.042351 1248.157,2.296471 1248.639,3.185682 
1249.121,2.444170 1249.603,1.075712 1250.085,0.8293740 1250.568,1.514547 
1251.050,1.730083 1251.532,1.504589 1252.014,1.192772 1252.496,0.7683180 
1252.978,0.5833590 1253.460,0.9002700 1253.942,1.403620 1254.425,1.827551 
1254.907,2.077255 1255.389,1.810362 1255.871,1.390062 1256.353,1.451288 
1256.835,1.750195 1257.317,2.079477 1257.799,2.221109 1258.281,2.335033 
1258.764,2.179480 1259.246,1.914953 1259.728,1.622383 1260.210,1.500185 
1260.692,1.874140 1261.174,2.119112 1261.656,1.708448 1262.138,1.267815 
1262.620,1.326902 1263.103,1.680725 1263.585,2.031393 1264.067,2.390114 
1264.549,2.539587 1265.031,2.433844 1265.513,2.275806 1265.995,2.039314 
1266.477,1.648539 1266.960,1.103212 1267.442,0.7702350 1267.924,0.9079280 
1268.406,1.271431 1268.888,1.481476 1269.370,1.540506 1269.852,1.332018 
1270.334,1.027674 1270.817,1.304321 1271.299,1.924271 1271.781,2.075699 
1272.263,1.747963 1272.745,1.573282 1273.227,1.792377 1273.709,1.940720 
1274.191,1.674120 1274.673,1.363916 1275.156,1.099421 1275.638,0.9591870 
1276.120,1.173500 1276.602,1.388618 1277.084,1.184233 1277.566,0.6738280 
1278.048,0.2386760 1278.530,0.1796360 1279.012,0.1110130 1279.495,1.437624 
1279.977,2.289822 1280.459,2.489075 1280.941,2.242880 1281.423,1.560452 
1281.905,0.5378700 1282.387,0.2640530 1282.869,0.3326380 1283.352,0.2667560 
1283.834,0.1762980 1284.316,7.7761002E-02 1284.798,0.0000000E+00 
##MOLFORM=D14 Mg O11 S
##RESOLUTION=4
##PRESSURE=100
##TEMPERATURE=26.85
##END=
