##TITLE=1000627
##JCAMP-DX=4.24
##DATA TYPE=RAMAN SPECTRUM
##SOURCE REFERENCE=http://solsa.crystallography.net/rod/1000627.rod
##OWNER=PUBLIC DOMAIN
##XUNITS=1/CM
##YUNITS=ARBITRARY UNITS
##FIRSTX=114.1789
##LASTX=1278.490
##XFACTOR=1
##YFACTOR=1
##NPOINTS=2416
##FIRSTY=0.0000000E+00
##LASTY=0.0000000E+00
##XYPOINTS=(XY..XY)
114.1789,0.0000000E+00 114.6611,0.3321690 115.1432,0.4720420 
115.6253,0.1789090 116.1074,1.3016000E-02 116.5895,6.2472999E-02 
117.0716,0.2367290 117.5538,0.2769050 118.0359,0.1371840 
118.5180,1.3779000E-02 119.0001,7.6339997E-02 119.4822,5.1925998E-02 
119.9643,5.4062001E-02 120.4465,0.2777750 120.9286,0.5733070 
121.4107,0.9214100 121.8928,1.381077 122.3749,1.823471 122.8570,1.966515 
123.3392,1.621269 123.8213,1.314960 124.3034,1.213360 124.7855,1.261765 
125.2676,1.391705 125.7497,1.567108 126.2319,1.787552 126.7140,2.045845 
127.1961,2.407757 127.6782,2.748905 128.1603,3.000591 128.6424,3.198990 
129.1246,3.437988 129.6067,3.820236 130.0888,4.397804 130.5709,4.832729 
131.0530,5.125191 131.5351,5.316750 132.0173,5.382748 132.4994,5.339493 
132.9815,5.279549 133.4636,5.290604 133.9457,5.330948 134.4278,5.675259 
134.9100,6.589455 135.3921,7.729218 135.8742,8.658356 136.3563,9.230213 
136.8384,9.681015 137.3205,10.39606 137.8027,11.38270 138.2848,12.33498 
138.7669,13.06168 139.2490,13.63016 139.7311,14.31025 140.2132,15.18940 
140.6953,16.22100 141.1775,17.35370 141.6596,18.59904 142.1417,19.85229 
142.6238,20.98767 143.1059,21.98535 143.5880,23.03249 144.0702,24.10035 
144.5523,25.28252 145.0344,26.69524 145.5165,28.37528 145.9986,30.18773 
146.4807,31.88997 146.9629,33.45538 147.4450,34.95690 147.9271,36.42079 
148.4092,37.84209 148.8913,39.19707 149.3734,40.47774 149.8556,41.70892 
150.3377,42.98752 150.8198,44.48061 151.3019,45.85074 151.7840,47.01419 
152.2661,48.03889 152.7483,49.01743 153.2304,49.99477 153.7125,51.04533 
154.1946,52.15624 154.6767,53.45754 155.1588,54.85715 155.6410,56.24497 
156.1231,57.57663 156.6052,58.87159 157.0873,60.15829 157.5694,61.46819 
158.0515,62.85091 158.5337,64.40272 159.0158,65.87146 159.4979,67.08168 
159.9800,67.88329 160.4621,68.60583 160.9442,69.53824 161.4264,70.65339 
161.9085,71.89057 162.3906,73.53834 162.8727,75.20964 163.3548,76.28485 
163.8369,76.65496 164.3191,76.68958 164.8012,76.75079 165.2833,76.72546 
165.7654,76.31330 166.2475,75.41192 166.7296,74.01653 167.2118,72.00642 
167.6939,69.06664 168.1760,65.82969 168.6581,62.61943 169.1402,59.41346 
169.6223,56.05053 170.1045,52.34515 170.5866,48.24264 171.0687,44.42364 
171.5508,41.04625 172.0329,37.84679 172.5150,34.69204 172.9971,31.60399 
173.4793,28.67810 173.9614,26.00602 174.4435,23.60065 174.9256,21.48280 
175.4077,19.68243 175.8898,18.06131 176.3720,16.59037 176.8541,15.23946 
177.3362,13.95287 177.8183,12.64897 178.3004,11.18880 178.7825,10.07184 
179.2647,9.554966 179.7468,9.202374 180.2289,8.632534 180.7110,7.756817 
181.1931,6.770477 181.6752,5.963312 182.1574,5.361053 182.6395,4.876308 
183.1216,4.613382 183.6037,4.428890 184.0858,4.125526 184.5679,3.632524 
185.0501,3.056736 185.5322,2.555992 186.0143,2.120377 186.4964,1.746479 
186.9785,1.404181 187.4606,1.123158 187.9428,1.014498 188.4249,1.215305 
188.9070,1.440996 189.3891,1.294424 189.8712,0.7523100 190.3533,0.2349850 
190.8355,5.9831999E-02 191.3176,0.1808930 191.7997,0.2085720 
192.2818,7.2439000E-02 192.7639,0.3709140 193.2460,0.4034020 
193.7282,0.1502670 194.2103,0.1171130 194.6924,0.1226390 195.1745,0.1647930 
195.6566,0.4136450 196.1387,0.5644320 196.6209,0.6481130 197.1030,0.6532970 
197.5851,0.5837630 198.0672,0.4929870 198.5493,0.4422320 199.0314,0.4313410 
199.5136,0.4642310 199.9957,0.6005330 200.4778,0.7374210 200.9599,0.8222680 
201.4420,0.8384090 201.9241,0.7863270 202.4063,0.6400300 202.8884,0.2506580 
203.3705,7.1722001E-02 203.8526,0.3101650 204.3347,0.6115070 
204.8168,0.6942650 205.2990,0.4802000 205.7811,0.1072040 206.2632,0.1735950 
206.7453,0.3265630 207.2274,0.4188590 207.7095,0.4563710 208.1917,0.4359650 
208.6738,0.3300990 209.1559,0.1329500 209.6380,9.8566003E-02 
210.1201,0.2501700 210.6022,0.2949960 211.0844,0.2897570 211.5665,0.1887360 
212.0486,5.4997999E-02 212.5307,2.0647001E-02 213.0128,2.2770001E-03 
213.4949,4.2202000E-02 213.9771,4.2341001E-02 214.4592,0.3312020 
214.9413,0.5704540 215.4234,0.6918620 215.9055,0.7411440 216.3876,0.7821040 
216.8698,0.8316040 217.3519,0.8964750 217.8340,1.017153 218.3161,1.231428 
218.7982,1.356922 219.2803,1.254789 219.7625,1.020838 220.2446,0.8770290 
220.7267,0.9086990 221.2088,1.028589 221.6909,1.115465 222.1730,1.171984 
222.6552,1.199114 223.1373,1.101414 223.6194,0.9525620 224.1015,1.042345 
224.5836,1.548800 225.0657,2.196875 225.5479,2.716101 226.0300,3.111801 
226.5121,3.335091 226.9942,3.227299 227.4763,2.854233 227.9584,2.687429 
228.4406,2.946730 228.9227,3.325603 229.4048,3.556763 229.8869,3.644217 
230.3690,3.740891 230.8511,3.970709 231.3333,4.330849 231.8154,4.707306 
232.2975,5.075575 232.7796,5.469641 233.2617,5.925062 233.7438,6.433054 
234.2259,6.939211 234.7081,7.367914 235.1902,7.707731 235.6723,8.144476 
236.1544,8.846901 236.6365,9.522224 237.1186,9.991964 237.6008,10.28896 
238.0829,10.58572 238.5650,11.05317 239.0471,11.71511 239.5292,12.36945 
240.0113,13.03874 240.4935,13.67991 240.9756,14.25196 241.4577,14.77491 
241.9398,15.30389 242.4219,15.87222 242.9040,16.45830 243.3862,17.23763 
243.8683,18.42224 244.3504,19.60454 244.8325,20.60686 245.3146,21.45899 
245.7967,22.29627 246.2789,23.22072 246.7610,24.23045 247.2431,25.39369 
247.7252,26.85521 248.2073,28.32411 248.6894,29.63468 249.1716,30.85410 
249.6537,32.12662 250.1358,33.56224 250.6179,35.16343 251.1000,36.87729 
251.5821,38.81879 252.0643,40.78207 252.5464,42.62320 253.0285,44.38917 
253.5106,46.23539 253.9927,48.30273 254.4748,50.58538 254.9570,52.88223 
255.4391,55.13596 255.9212,57.47327 256.4033,60.01134 256.8854,62.66716 
257.3675,65.23316 257.8496,67.53165 258.3318,69.60680 258.8139,72.09320 
259.2960,75.37228 259.7781,78.56404 260.2602,81.31537 260.7423,83.77382 
261.2245,86.27888 261.7066,88.99835 262.1887,91.88658 262.6708,94.71372 
263.1529,97.39304 263.6350,100.1829 264.1172,103.2732 264.5993,106.5145 
265.0814,109.6207 265.5635,112.4307 266.0456,115.0459 266.5277,117.7757 
267.0099,120.7274 267.4920,123.6092 267.9741,126.2986 268.4562,128.8623 
268.9383,131.4481 269.4204,134.1452 269.9026,136.8212 270.3847,139.1280 
270.8668,140.9516 271.3489,142.8156 271.8310,145.1364 272.3131,147.5679 
272.7953,149.3775 273.2774,150.2227 273.7595,150.6810 274.2416,151.8081 
274.7237,153.7128 275.2058,155.2497 275.6880,155.9178 276.1701,156.0316 
276.6522,156.1916 277.1343,156.6043 277.6164,156.8538 278.0985,156.2560 
278.5807,154.9148 279.0628,153.5047 279.5449,152.2750 280.0270,151.0743 
280.5091,149.6788 280.9912,148.0684 281.4734,146.2273 281.9555,144.1480 
282.4376,141.8316 282.9197,139.1719 283.4018,135.9543 283.8839,132.4556 
284.3661,129.0190 284.8482,125.6739 285.3303,122.3739 285.8124,119.1297 
286.2945,115.9183 286.7766,112.6862 287.2588,109.5004 287.7409,106.2566 
288.2230,102.7943 288.7051,99.10132 289.1872,95.47488 289.6693,92.15579 
290.1515,89.01532 290.6336,85.90841 291.1157,82.85361 291.5978,79.75118 
292.0799,76.44422 292.5620,72.92597 293.0442,69.49965 293.5263,66.32011 
294.0084,63.31661 294.4905,60.40807 294.9726,57.62083 295.4547,54.83675 
295.9369,51.85043 296.4190,48.70050 296.9011,45.89260 297.3832,43.71400 
297.8653,41.86839 298.3474,40.02982 298.8296,38.20866 299.3117,36.29166 
299.7938,34.07574 300.2759,31.65050 300.7580,29.53199 301.2401,27.88882 
301.7223,26.52729 302.2044,25.31833 302.6865,24.24036 303.1686,23.10014 
303.6507,21.63177 304.1328,19.99616 304.6150,18.76360 305.0971,18.13797 
305.5792,17.65317 306.0613,16.95809 306.5434,16.09945 307.0255,15.21741 
307.5077,14.42770 307.9898,13.69254 308.4719,12.91000 308.9540,12.02264 
309.4361,11.20872 309.9182,10.65033 310.4003,10.24920 310.8824,9.863647 
311.3646,9.440008 311.8467,8.988302 312.3288,8.545551 312.8109,8.119608 
313.2930,7.720568 313.7751,7.348530 314.2573,7.014116 314.7394,6.755724 
315.2215,6.582605 315.7036,6.415192 316.1857,6.197372 316.6678,5.940557 
317.1500,5.761829 317.6321,5.809191 318.1142,5.840479 318.5963,5.555048 
319.0784,4.911768 319.5605,4.330862 320.0427,4.190777 320.5248,4.420935 
321.0069,4.542347 321.4890,4.400864 321.9711,4.200676 322.4532,4.137590 
322.9354,4.179464 323.4175,4.182468 323.8996,4.087534 324.3817,3.918085 
324.8638,3.725134 325.3459,3.494131 325.8281,3.267424 326.3102,3.076683 
326.7923,2.919588 327.2744,2.792452 327.7565,2.650864 328.2386,2.563051 
328.7208,2.687508 329.2029,3.069120 329.6850,3.350615 330.1671,3.238779 
330.6492,2.928560 331.1313,2.705944 331.6135,2.672958 332.0956,2.652424 
332.5777,2.411446 333.0598,1.964458 333.5419,1.676643 334.0240,1.791044 
334.5062,2.052549 334.9883,2.106180 335.4704,1.914297 335.9525,1.682070 
336.4346,1.542833 336.9167,1.471468 337.3989,1.356361 337.8810,1.117077 
338.3631,0.9254970 338.8452,1.062841 339.3273,1.494886 339.8094,1.747942 
340.2916,1.454914 340.7737,0.8856810 341.2558,0.5308480 341.7379,0.4658390 
342.2200,0.5298900 342.7021,0.6641850 343.1843,0.8327390 343.6664,0.9137080 
344.1485,0.8602100 344.6306,0.7299540 345.1127,0.5347270 345.5948,0.2684020 
346.0770,5.7016000E-02 346.5591,1.4250000E-03 347.0412,4.2490002E-02 
347.5233,3.3599999E-02 348.0054,6.8056002E-02 348.4875,0.1628700 
348.9697,0.1555210 349.4518,8.5671999E-02 349.9339,0.1091960 
350.4160,0.3263050 350.8981,0.5884720 351.3802,0.6143800 351.8624,0.3660450 
352.3445,0.1459520 352.8266,4.7129001E-02 353.3087,4.3609999E-02 
353.7908,0.1321030 354.2729,0.3232140 354.7551,0.4916060 355.2372,0.4877930 
355.7193,0.3069880 356.2014,0.1368260 356.6835,6.9302000E-02 
357.1656,0.2166650 357.6478,0.1708660 358.1299,4.9527999E-02 
358.6120,0.2356720 359.0941,0.2348880 359.5762,7.0694000E-02 
360.0583,5.9103001E-02 360.5405,0.1706390 361.0226,0.2359850 
361.5047,0.2501850 361.9868,0.2092910 362.4689,6.7854002E-02 
362.9510,0.2178210 363.4332,0.5301720 363.9153,0.5529840 
364.3974,4.8108999E-02 364.8795,0.2617170 365.3616,0.1034280 
365.8438,0.2099460 366.3259,0.3111670 366.8080,0.1256960 367.2901,0.1227070 
367.7722,0.1497840 368.2543,0.1342390 368.7365,0.2551040 
369.2186,9.5101997E-02 369.7007,0.1140560 370.1828,0.2851870 
370.6649,0.3910270 371.1470,0.3785170 371.6291,0.1848240 372.1112,0.1614930 
372.5934,0.3045310 373.0755,9.7059999E-03 373.5576,0.2045900 
374.0397,0.1599450 374.5218,1.4086000E-02 375.0039,0.1295380 
375.4861,0.1062980 375.9682,1.1390001E-03 376.4503,7.2526999E-02 
376.9324,0.1254810 377.4145,0.1052630 377.8966,6.7075998E-02 
378.3788,0.2491950 378.8609,0.3606780 379.3430,0.3784350 379.8251,0.2943420 
380.3072,6.6598997E-02 380.7893,0.3524090 381.2715,0.5728170 
381.7536,0.3881400 382.2357,0.2106440 382.7178,0.1952270 383.1999,0.2898180 
383.6820,0.3692490 384.1642,0.3549290 384.6463,0.2710970 385.1284,0.2039890 
385.6105,0.1030690 386.0926,0.1127550 386.5747,0.3679810 387.0569,0.6705280 
387.5390,0.8200780 388.0211,0.7612020 388.5032,0.6155110 388.9853,0.5494800 
389.4674,0.5822770 389.9496,0.5915200 390.4317,0.4905850 390.9138,0.4280700 
391.3959,0.5340630 391.8780,0.7638160 392.3601,0.9369590 392.8423,0.8907380 
393.3244,0.6732450 393.8065,0.5206890 394.2886,0.4575910 394.7707,0.4168820 
395.2528,0.3896140 395.7350,0.3566000 396.2171,0.2735990 
396.6992,9.0729997E-02 397.1813,6.9659002E-02 397.6634,4.1320998E-02 
398.1455,0.1822930 398.6277,0.4532250 399.1098,0.8064560 399.5919,1.112791 
400.0740,1.243065 400.5561,1.190506 401.0382,1.042027 401.5204,0.7458820 
402.0025,0.3955990 402.4846,0.2561040 402.9667,0.4081650 403.4488,0.6215380 
403.9309,0.6871660 404.4131,0.6450540 404.8952,0.6243170 405.3773,0.6478990 
405.8594,0.7012000 406.3415,0.7953010 406.8236,0.9324770 407.3058,1.030951 
407.7879,1.078732 408.2700,1.060404 408.7521,0.9219400 409.2342,0.5650610 
409.7163,0.3737260 410.1985,0.6004340 410.6806,1.003209 411.1627,1.223007 
411.6448,1.165048 412.1269,1.001737 412.6090,0.9609650 413.0912,1.101542 
413.5733,1.118807 414.0554,0.8429270 414.5375,0.5927170 415.0196,0.5922170 
415.5017,0.7841580 415.9839,0.9554590 416.4660,0.9641020 416.9481,0.8511880 
417.4302,0.7763960 417.9123,0.7157290 418.3944,0.7102420 418.8766,0.8147340 
419.3587,0.9502100 419.8408,1.047088 420.3229,1.082563 420.8050,1.049961 
421.2871,0.9391970 421.7693,0.7297530 422.2514,0.6393280 422.7335,0.7488630 
423.2156,0.8371430 423.6977,0.7662740 424.1798,0.5952800 424.6620,0.4728350 
425.1441,0.4916390 425.6262,0.6007120 426.1083,0.6298370 426.5904,0.5265380 
427.0725,0.4811650 427.5547,0.5682610 428.0368,0.7011740 428.5189,0.8292960 
429.0010,0.9380510 429.4831,0.9997120 429.9652,0.9310050 430.4474,0.7405360 
430.9295,0.6708800 431.4116,0.8457050 431.8937,0.9774210 432.3758,0.8148720 
432.8579,0.4635180 433.3400,0.2277620 433.8221,0.3162690 434.3043,0.5513820 
434.7864,0.6406160 435.2685,0.5667350 435.7506,0.4953510 436.2327,0.5107970 
436.7148,0.5743160 437.1970,0.6200910 437.6791,0.6514210 438.1612,0.6861250 
438.6433,0.7553880 439.1254,0.8155690 439.6075,0.7862620 440.0897,0.6368330 
440.5718,0.4778460 441.0539,0.4411290 441.5360,0.5252490 442.0181,0.5301210 
442.5002,0.3381210 442.9824,0.1562640 443.4645,0.1436340 443.9466,0.2618180 
444.4287,0.3676500 444.9108,0.3743650 445.3929,0.3236100 445.8751,0.3351530 
446.3572,0.4979720 446.8393,0.5863010 447.3214,0.5345210 447.8035,0.4400820 
448.2856,0.3808100 448.7678,0.3698900 449.2499,0.3806910 449.7320,0.3808890 
450.2141,0.3664750 450.6962,0.4071930 451.1783,0.5790300 451.6605,0.7225260 
452.1426,0.8269120 452.6247,0.8719840 453.1068,0.8087130 453.5889,0.6149440 
454.0710,0.3786120 454.5532,0.2708600 455.0353,0.3356390 455.5174,0.3791920 
455.9995,0.3763160 456.4816,0.3625600 456.9637,0.3354900 457.4459,0.3024780 
457.9280,0.2941800 458.4101,0.3683080 458.8922,0.4747000 459.3743,0.4256560 
459.8564,0.1528330 460.3386,7.1886003E-02 460.8207,0.1014910 
461.3028,3.2339999E-03 461.7849,0.2006780 462.2670,0.5658930 
462.7491,0.8038020 463.2313,0.5443340 463.7134,2.0265000E-02 
464.1955,0.2457530 464.6776,7.5907998E-02 465.1597,0.4994940 
465.6418,0.5481480 466.1240,0.2601170 466.6061,4.4876002E-02 
467.0882,7.7140001E-03 467.5703,1.5222000E-02 468.0524,8.2323998E-02 
468.5345,0.1739370 469.0167,0.1462330 469.4988,8.6769998E-02 
469.9809,0.4291450 470.4630,0.6642910 470.9451,0.7903800 471.4272,0.8018380 
471.9094,0.5913970 472.3915,0.3385480 472.8736,0.1740040 473.3557,0.1155460 
473.8378,0.1341030 474.3199,0.2196120 474.8021,0.3619120 475.2842,0.4014840 
475.7663,0.1600650 476.2484,3.7815999E-02 476.7305,0.2283280 
477.2126,0.5042980 477.6948,0.6076200 478.1769,0.4671090 478.6590,0.2363690 
479.1411,9.7984001E-02 479.6232,5.5773001E-02 480.1053,5.4508999E-02 
480.5875,0.1064400 481.0696,0.1866500 481.5517,0.3453190 482.0338,0.5153830 
482.5159,0.5445770 482.9980,0.3028920 483.4802,1.4459000E-02 
483.9623,0.1159780 484.4444,1.7320000E-03 484.9265,0.1045490 
485.4086,0.1351960 485.8907,0.1227460 486.3729,0.1033940 
486.8550,7.6035000E-02 487.3371,6.3717999E-02 487.8192,7.7375002E-02 
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535.5487,0.8029060 536.0308,0.7939100 536.5129,0.9167710 536.9951,1.080543 
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539.4056,0.8955460 539.8878,0.8965030 540.3699,0.9616870 540.8520,1.007309 
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550.9764,0.7623150 551.4586,0.9324360 551.9407,1.046894 552.4228,1.113579 
552.9049,1.179123 553.3870,1.266667 553.8691,1.346895 554.3513,1.405013 
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556.7618,1.048767 557.2440,1.251383 557.7261,1.401539 558.2082,1.471651 
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560.6188,0.8885670 561.1009,1.072644 561.5830,1.102309 562.0651,0.8714120 
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572.1896,0.9456210 572.6717,0.8939370 573.1538,0.8376040 573.6359,0.8270380 
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585.6888,0.8172480 586.1710,0.6421340 586.6531,0.4749640 587.1352,0.2628110 
587.6173,0.1239110 588.0994,0.1413370 588.5815,0.2235980 589.0637,0.2549410 
589.5458,0.2250900 590.0279,0.2230220 590.5100,0.3670190 590.9921,0.6373200 
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593.4027,9.6574001E-02 593.8848,6.2542997E-02 594.3669,0.1174360 
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602.0808,0.6428240 602.5629,0.4959130 603.0450,0.2917830 603.5272,0.2181930 
604.0093,0.3398920 604.4914,0.3949720 604.9735,0.2907710 605.4556,0.1958110 
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617.5085,0.2971340 617.9907,0.1943590 618.4728,9.2240997E-02 
618.9549,0.1615210 619.4370,0.3843890 619.9191,0.5141150 620.4012,0.3330190 
620.8834,3.5060000E-02 621.3655,0.1177850 621.8476,0.1362660 
622.3297,0.1128800 622.8118,7.5746998E-02 623.2939,3.3298001E-02 
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627.1509,0.2229430 627.6330,0.2977160 628.1151,0.3672980 628.5972,0.3768670 
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633.4184,5.1194001E-02 633.9005,3.3535998E-02 634.3826,6.7792997E-02 
634.8647,0.1414480 635.3469,0.1283900 635.8290,6.4860001E-02 
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639.6859,0.3167830 640.1680,0.1964580 640.6501,7.6670997E-02 
641.1323,3.7630000E-03 641.6144,8.3561003E-02 642.0965,0.2866370 
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651.7388,0.4917260 652.2209,0.4758800 652.7030,0.4049040 653.1851,0.3300790 
653.6672,0.2528420 654.1494,0.2042470 654.6315,0.2306480 655.1136,0.3028050 
655.5957,0.3387570 656.0778,0.3237020 656.5599,0.3444600 657.0421,0.4974990 
657.5242,0.7452310 658.0063,0.8191330 658.4884,0.5265580 658.9705,0.3112960 
659.4526,0.2128650 659.9348,0.1863370 660.4169,0.2276420 660.8990,0.3118590 
661.3811,0.3796900 661.8632,0.3895990 662.3453,0.3778120 662.8275,0.4040270 
663.3096,0.4674630 663.7917,0.5535250 664.2738,0.6719790 664.7559,0.7827100 
665.2380,0.8649190 665.7202,0.9106120 666.2023,0.8824160 666.6844,0.6472560 
667.1665,0.5009910 667.6486,0.6314490 668.1307,0.8357060 668.6129,0.9026780 
669.0950,0.8229610 669.5771,0.6779110 670.0592,0.5040180 670.5413,0.3460140 
671.0234,0.3885670 671.5056,0.7073210 671.9877,0.9258620 672.4698,0.9301160 
672.9519,0.8819670 673.4340,0.8983040 673.9161,0.9637460 674.3983,1.009852 
674.8804,1.001253 675.3625,0.9956740 675.8446,1.049996 676.3267,1.128401 
676.8088,1.145468 677.2910,1.094505 677.7731,1.080266 678.2552,1.197348 
678.7373,1.417094 679.2194,1.574754 679.7015,1.670444 680.1837,1.725743 
680.6658,1.693783 681.1479,1.670756 681.6300,1.734708 682.1121,1.857545 
682.5942,1.949513 683.0764,1.963693 683.5585,1.945088 684.0406,1.929662 
684.5227,1.920822 685.0048,1.932259 685.4869,1.966942 685.9691,2.008944 
686.4512,2.033222 686.9333,2.056079 687.4154,2.175035 687.8975,2.480093 
688.3796,2.750888 688.8618,2.997003 689.3439,3.201774 689.8260,3.331970 
690.3081,3.412022 690.7902,3.493105 691.2723,3.594744 691.7545,3.724288 
692.2366,3.888180 692.7187,4.087999 693.2008,4.367023 693.6829,4.753572 
694.1650,5.073163 694.6472,5.164724 695.1293,5.142210 695.6114,5.352777 
696.0935,5.895620 696.5756,6.469563 697.0577,7.031408 697.5399,7.606165 
698.0220,8.244706 698.5041,8.910612 698.9862,9.480568 699.4683,9.886443 
699.9504,10.28341 700.4326,10.96619 700.9147,11.93216 701.3968,12.77287 
701.8789,13.39661 702.3610,14.05142 702.8431,14.88558 703.3253,15.85514 
703.8074,16.84043 704.2895,17.82124 704.7716,18.87315 705.2537,20.07617 
705.7358,21.31890 706.2180,22.51328 706.7001,23.67095 707.1822,24.81266 
707.6643,25.95310 708.1464,27.08031 708.6285,28.18075 709.1107,29.25297 
709.5928,30.30392 710.0749,31.32070 710.5570,32.34505 711.0391,33.33885 
711.5212,34.38675 712.0034,35.65488 712.4855,37.18534 712.9676,38.56107 
713.4497,39.59591 713.9318,40.47100 714.4139,41.36059 714.8961,42.19921 
715.3782,42.74891 715.8603,42.95409 716.3424,43.18105 716.8245,43.96641 
717.3066,45.29300 717.7888,46.01393 718.2709,45.92603 718.7530,45.68949 
719.2351,45.54229 719.7172,45.29311 720.1993,44.81945 720.6815,44.11129 
721.1636,43.08246 721.6457,41.54116 722.1278,39.83349 722.6099,38.16029 
723.0920,36.51200 723.5742,34.89663 724.0563,33.31330 724.5384,31.66390 
725.0205,29.83003 725.5026,27.84750 725.9847,25.93246 726.4669,24.06142 
726.9490,22.30580 727.4311,20.70655 727.9132,19.18806 728.3953,17.65519 
728.8774,16.15209 729.3596,14.79840 729.8417,13.60234 730.3238,12.59969 
730.8059,11.94087 731.2880,11.42562 731.7701,10.73349 732.2523,9.861382 
732.7344,9.063148 733.2165,8.522755 733.6986,8.112477 734.1807,7.462522 
734.6628,6.456694 735.1450,5.672106 735.6271,5.185919 736.1092,4.881104 
736.5913,4.858179 737.0734,4.911406 737.5555,4.668999 738.0377,4.000374 
738.5198,3.390010 739.0019,3.144225 739.4840,3.014572 739.9661,2.720265 
740.4482,2.304731 740.9304,1.950659 741.4125,1.737396 741.8946,1.633448 
742.3767,1.610809 742.8588,1.675193 743.3409,1.705459 743.8231,1.727610 
744.3052,1.662233 744.7873,1.373777 745.2694,1.056177 745.7515,0.9137400 
746.2336,0.9460430 746.7158,0.9631090 747.1979,0.8805150 747.6800,0.7908320 
748.1621,0.7945980 748.6442,0.8216810 749.1263,0.7214010 749.6085,0.4822120 
750.0906,0.2636460 750.5727,0.2112550 751.0548,0.2796980 751.5369,0.2782880 
752.0190,0.1745970 752.5012,0.1527730 752.9833,0.3192740 753.4654,0.4765110 
753.9475,0.4507810 754.4296,0.3015070 754.9117,0.1732500 
755.3939,7.1268998E-02 755.8760,1.4213000E-02 756.3581,1.8820001E-02 
756.8402,6.3971996E-02 757.3223,0.1740890 757.8044,0.3068130 
758.2866,0.3310840 758.7687,0.1788210 759.2508,6.5560001E-03 
759.7329,4.4032000E-02 760.2150,0.3212870 760.6971,0.3851790 
761.1793,0.1595660 761.6614,6.9320999E-02 762.1435,0.1899950 
762.6256,0.2263270 763.1077,0.1963670 763.5898,9.0603001E-02 
764.0720,1.8976999E-02 764.5541,2.5009001E-02 765.0362,3.4228999E-02 
765.5183,1.7453000E-02 766.0004,2.0679001E-02 766.4825,9.5567003E-02 
766.9647,0.1938630 767.4468,0.2385770 767.9289,0.1443180 
768.4110,1.9994000E-02 768.8931,8.8950001E-02 769.3752,6.5540001E-02 
769.8574,4.9993999E-02 770.3395,6.5075003E-02 770.8216,9.2237003E-02 
771.3037,0.1331840 771.7858,0.1739750 772.2679,0.1298250 772.7500,0.1072140 
773.2321,0.2690110 773.7142,0.3188190 774.1964,0.3078960 774.6785,0.2551590 
775.1606,0.1693850 775.6427,4.0348999E-02 776.1248,0.1422580 
776.6069,0.2780680 777.0891,0.2330240 777.5712,8.2456000E-02 
778.0533,2.5196999E-02 778.5354,7.7880003E-02 779.0175,3.3785000E-02 
779.4996,0.1444620 779.9818,0.3335890 780.4639,0.3500860 780.9460,0.1762220 
781.4281,1.3980001E-03 781.9102,0.2229440 782.3923,0.3918830 
782.8745,0.4702430 783.3566,0.5055540 783.8387,0.5197740 784.3208,0.5250970 
784.8029,0.5619300 785.2850,0.7062640 785.7672,0.8039890 786.2493,0.6655360 
786.7314,0.4199030 787.2135,0.2873300 787.6956,0.2944090 788.1777,0.3703990 
788.6599,0.4749500 789.1420,0.5888090 789.6241,0.6681320 790.1062,0.7104150 
790.5883,0.7286790 791.0704,0.7084930 791.5526,0.6908310 792.0347,0.7116190 
792.5168,0.7383980 792.9989,0.7212510 793.4810,0.6530440 793.9631,0.5867070 
794.4453,0.5242550 794.9274,0.4792760 795.4095,0.4648480 795.8916,0.4715130 
796.3737,0.4808110 796.8558,0.4916700 797.3380,0.5296710 797.8201,0.6358230 
798.3022,0.7559980 798.7843,0.7227290 799.2664,0.5428540 799.7485,0.4852550 
800.2307,0.6332650 800.7128,0.7800160 801.1949,0.7535650 801.6770,0.6080650 
802.1591,0.5530820 802.6412,0.6353920 803.1234,0.7309870 803.6055,0.8762340 
804.0876,0.9959360 804.5697,1.079250 805.0518,1.102293 805.5339,0.9775780 
806.0161,0.6906290 806.4982,0.5140120 806.9803,0.7430860 807.4624,1.129273 
807.9445,1.354733 808.4266,1.429855 808.9088,1.389874 809.3909,1.248774 
809.8730,1.125525 810.3551,1.148649 810.8372,1.283365 811.3193,1.303664 
811.8015,1.154843 812.2836,1.046956 812.7657,0.9881290 813.2478,1.003258 
813.7299,1.188012 814.2120,1.440173 814.6942,1.526307 815.1763,1.362960 
815.6584,1.208204 816.1405,1.117072 816.6226,1.094410 817.1047,1.177164 
817.5869,1.323730 818.0690,1.482395 818.5511,1.625702 819.0332,1.676848 
819.5153,1.499854 819.9974,1.189699 820.4796,1.064700 820.9617,1.124515 
821.4438,1.187860 821.9259,1.209605 822.4080,1.193464 822.8901,1.128445 
823.3723,1.033544 823.8544,1.022239 824.3365,1.137730 824.8186,1.267440 
825.3007,1.460023 825.7828,1.612593 826.2650,1.636747 826.7471,1.593649 
827.2292,1.591611 827.7113,1.654998 828.1934,1.750667 828.6755,1.935613 
829.1577,2.082222 829.6398,2.003190 830.1219,1.783348 830.6040,1.629406 
831.0861,1.592768 831.5682,1.618383 832.0504,1.667013 832.5325,1.721976 
833.0146,1.700845 833.4967,1.585302 833.9788,1.541414 834.4609,1.634317 
834.9431,1.725083 835.4252,1.692408 835.9073,1.587251 836.3894,1.583694 
836.8715,1.742205 837.3536,1.827833 837.8358,1.803181 838.3179,1.723903 
838.8000,1.574553 839.2821,1.417993 839.7642,1.309446 840.2463,1.268626 
840.7285,1.318607 841.2106,1.552068 841.6927,1.809336 842.1748,1.889690 
842.6569,1.836478 843.1390,1.738133 843.6212,1.621223 844.1033,1.556909 
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850.3708,1.731751 850.8529,1.660322 851.3350,1.711112 851.8171,1.815077 
852.2993,1.926582 852.7814,2.026534 853.2635,2.084568 853.7456,2.074758 
854.2277,2.060471 854.7098,2.155148 855.1920,2.279450 855.6741,2.228528 
856.1562,2.016034 856.6383,1.832367 857.1204,1.750262 857.6025,1.748640 
858.0847,1.814225 858.5668,1.945553 859.0489,2.048979 859.5310,2.116877 
860.0131,2.183987 860.4952,2.254565 860.9774,2.329867 861.4595,2.434509 
861.9416,2.546736 862.4237,2.577462 862.9058,2.449321 863.3879,2.387976 
863.8701,2.504732 864.3522,2.615952 864.8343,2.594545 865.3164,2.493431 
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871.5839,3.468309 872.0660,2.831779 872.5482,2.481761 873.0303,2.558144 
873.5124,2.619902 873.9945,2.444420 874.4766,2.183774 874.9587,2.076672 
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881.2263,1.542320 881.7084,1.630667 882.1905,1.571877 882.6726,1.402512 
883.1547,1.152927 883.6368,0.9557090 884.1190,0.9399540 884.6011,1.062841 
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887.0117,0.9570900 887.4938,0.9096210 887.9759,1.015423 888.4580,1.004417 
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902.4393,0.5758570 902.9214,0.5771340 903.4036,0.1230180 903.8857,0.1817960 
904.3678,9.3219997E-03 904.8499,0.3345090 905.3320,0.4777270 
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907.7426,0.3641200 908.2247,0.2674330 908.7068,0.3256200 909.1890,0.4423840 
909.6711,0.4342010 910.1532,0.2681060 910.6353,0.1366880 911.1174,0.1491370 
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1005.130,0.8317660 1005.612,0.3276540 1006.094,0.5286490 1006.577,1.446061 
1007.059,2.017106 1007.541,1.498289 1008.023,0.8039540 1008.505,0.5977140 
1008.987,0.6436350 1009.469,0.7307210 1009.951,0.7951970 1010.433,0.7380800 
1010.916,0.5575530 1011.398,0.4308050 1011.880,0.4938360 1012.362,0.6409620 
1012.844,0.7692060 1013.326,0.8802680 1013.808,0.9615510 1014.290,1.022491 
1014.773,1.103062 1015.255,1.212449 1015.737,1.307384 1016.219,1.350653 
1016.701,1.354210 1017.183,1.293614 1017.665,1.215153 1018.147,1.333541 
1018.629,1.627866 1019.112,1.761948 1019.594,1.598088 1020.076,1.426322 
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1022.486,1.820413 1022.968,1.869640 1023.451,1.910506 1023.933,1.890133 
1024.415,1.904950 1024.897,2.082239 1025.379,2.358164 1025.861,2.449472 
1026.343,2.340837 1026.825,2.328948 1027.307,2.431708 1027.790,2.796149 
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1034.057,3.465096 1034.539,3.564176 1035.021,3.800322 1035.504,3.982278 
1035.986,4.062725 1036.468,4.152940 1036.950,4.316330 1037.432,4.475344 
1037.914,4.530420 1038.396,4.490562 1038.878,4.449387 1039.360,4.355476 
1039.843,4.354580 1040.325,4.571529 1040.807,4.715797 1041.289,4.531881 
1041.771,4.304262 1042.253,4.425407 1042.735,4.875530 1043.217,5.219368 
1043.699,5.416430 1044.182,5.578294 1044.664,5.699703 1045.146,5.795120 
1045.628,5.899902 1046.110,5.956076 1046.592,5.823139 1047.074,5.550259 
1047.556,5.561066 1048.039,6.224701 1048.521,6.617967 1049.003,6.402712 
1049.485,6.192436 1049.967,6.258026 1050.449,6.470142 1050.931,6.709915 
1051.413,6.953018 1051.896,7.157454 1052.378,7.297833 1052.860,7.459352 
1053.342,7.621881 1053.824,7.845802 1054.306,8.219423 1054.788,8.621605 
1055.270,8.889743 1055.752,9.058545 1056.234,9.344049 1056.717,9.854077 
1057.199,10.32651 1057.681,10.56254 1058.163,10.89753 1058.645,11.65014 
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1062.984,16.92192 1063.466,17.64482 1063.948,18.26743 1064.431,18.87005 
1064.913,19.67414 1065.395,20.74739 1065.877,21.91240 1066.359,23.13171 
1066.841,24.37779 1067.323,25.56220 1067.805,26.82498 1068.287,28.36061 
1068.770,30.08431 1069.252,31.68799 1069.734,33.07236 1070.216,34.83457 
1070.698,37.35881 1071.180,40.16483 1071.662,42.69020 1072.144,45.67093 
1072.626,49.80264 1073.109,54.94457 1073.591,60.53398 1074.073,66.46490 
1074.555,73.77748 1075.037,82.85045 1075.519,93.54276 1076.001,105.7939 
1076.483,119.5896 1076.966,135.1930 1077.448,152.1823 1077.930,170.2037 
1078.412,189.0586 1078.894,208.1194 1079.376,227.6192 1079.858,246.4944 
1080.340,264.0475 1080.822,280.9518 1081.305,297.2608 1081.787,313.5227 
1082.269,330.2969 1082.751,347.8111 1083.233,366.6550 1083.715,387.1240 
1084.197,408.5947 1084.679,430.7110 1085.161,453.6835 1085.644,478.2987 
1086.126,503.2816 1086.608,527.4796 1087.090,550.6669 1087.572,572.9124 
1088.054,594.8014 1088.536,613.6445 1089.018,630.1702 1089.500,641.2469 
1089.983,646.6831 1090.465,644.2659 1090.947,631.4249 1091.429,608.8309 
1091.911,578.2952 1092.393,539.8445 1092.875,496.6794 1093.357,446.5977 
1093.840,396.2935 1094.322,346.5433 1094.804,299.5359 1095.286,256.3509 
1095.768,217.4779 1096.250,183.6856 1096.732,154.8377 1097.214,130.1500 
1097.697,109.9323 1098.179,92.94363 1098.661,79.41277 1099.143,68.18362 
1099.625,58.98794 1100.107,51.34309 1100.589,44.83811 1101.071,39.35901 
1101.553,34.56505 1102.036,30.40683 1102.518,26.92861 1103.000,24.46920 
1103.482,22.35132 1103.964,20.25595 1104.446,18.27195 1104.928,16.47441 
1105.410,14.90391 1105.892,13.67767 1106.375,12.93441 1106.857,12.16891 
1107.339,11.24231 1107.821,10.35010 1108.303,9.570754 1108.785,8.829955 
1109.267,7.992201 1109.749,7.172021 1110.232,6.712482 1110.714,6.742323 
1111.196,6.569738 1111.678,5.954156 1112.160,5.376669 1112.642,4.925719 
1113.124,4.557151 1113.606,4.276620 1114.089,4.044676 1114.571,3.809636 
1115.053,3.572670 1115.535,3.288715 1116.017,2.877446 1116.499,2.545307 
1116.981,2.299735 1117.463,2.143015 1117.945,2.116280 1118.427,2.138593 
1118.910,2.136400 1119.392,2.108723 1119.874,2.048826 1120.356,1.980523 
1120.838,1.801929 1121.320,1.349036 1121.802,1.133579 1122.284,1.469928 
1122.767,1.802093 1123.249,1.669770 1123.731,1.244229 1124.213,0.9378790 
1124.695,0.7618190 1125.177,0.5965730 1125.659,0.4126700 1126.141,0.3667350 
1126.624,0.5558900 1127.106,0.6716350 1127.588,0.5194630 1128.070,0.2460370 
1128.552,3.4632001E-02 1129.034,9.8866999E-02 1129.516,5.0569002E-02 
1129.998,0.5539240 1130.480,0.7095810 1130.963,0.4069360 1131.445,0.1148310 
1131.927,6.1969999E-03 1132.409,8.1749996E-03 1132.891,1.6289999E-03 
1133.373,9.1620004E-03 1133.855,4.1572001E-02 1134.337,0.1460940 
1134.819,0.1250250 1135.302,2.1031000E-02 1135.784,8.2823001E-02 
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1137.712,0.3427190 1138.194,0.3311750 1138.676,0.2411770 1139.159,0.1893720 
1139.641,0.1589320 1140.123,5.0613999E-02 1140.605,0.1295610 
1141.087,0.2697060 1141.569,0.3227350 1142.051,0.2598150 
1142.533,6.1180000E-03 1143.016,0.2669350 1143.498,0.2646910 
1143.980,8.4879003E-02 1144.462,0.1327410 1144.944,0.3290810 
1145.426,0.3638970 1145.908,0.2316730 1146.390,6.7855000E-02 
1146.872,5.8428001E-02 1147.354,0.1253660 1147.837,6.5840997E-02 
1148.319,2.3022000E-02 1148.801,3.3475999E-02 1149.283,9.9839997E-03 
1149.765,7.6553002E-02 1150.247,0.1547440 1150.729,0.2566710 
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1152.658,6.3844003E-02 1153.140,8.1312999E-02 1153.622,0.3057200 
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1160.372,0.3029530 1160.854,5.9145998E-02 1161.336,8.1510998E-02 
1161.818,1.3131000E-02 1162.300,3.8789000E-02 1162.782,2.6453000E-02 
1163.264,2.1996999E-02 1163.746,8.2690999E-02 1164.229,0.1427000 
1164.711,0.1026820 1165.193,4.7650002E-03 1165.675,4.9599999E-04 
1166.157,0.1579980 1166.639,0.2792980 1167.121,0.3608300 1167.603,0.4156010 
1168.086,0.4360990 1168.568,0.4716460 1169.050,0.5690060 1169.532,0.6726540 
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1171.943,0.8377850 1172.425,0.6495100 1172.907,0.5308170 1173.389,0.5868040 
1173.871,0.6459570 1174.353,0.5575340 1174.835,0.4280270 1175.317,0.5136640 
1175.799,0.7272110 1176.281,0.7476670 1176.764,0.6217440 1177.246,0.5556910 
1177.728,0.5868070 1178.210,0.6800370 1178.692,0.8177540 1179.174,0.9203800 
1179.656,0.8990300 1180.138,0.8096030 1180.621,0.6586130 1181.103,0.5321370 
1181.585,0.5821790 1182.067,0.7522620 1182.549,0.9269800 1183.031,1.063622 
1183.513,1.104018 1183.995,0.9877920 1184.478,0.8938010 1184.960,0.9399760 
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1191.227,0.6278010 1191.709,0.6607570 1192.191,0.8353950 1192.673,1.091738 
1193.156,1.207080 1193.638,1.155438 1194.120,1.066676 1194.602,0.9081070 
1195.084,0.8038380 1195.566,0.7898280 1196.048,0.7974870 1196.530,0.7986920 
1197.013,0.7768770 1197.495,0.6944060 1197.977,0.6007970 1198.459,0.7276870 
1198.941,1.043135 1199.423,1.079115 1199.905,0.8393400 1200.387,0.6350620 
1200.870,0.5351550 1201.352,0.5499210 1201.834,0.6928280 1202.316,0.8490740 
1202.798,0.8951130 1203.280,0.8447070 1203.762,0.6442550 1204.244,0.4075790 
1204.726,0.3851490 1205.208,0.5166550 1205.691,0.5602200 1206.173,0.4793710 
1206.655,0.4795170 1207.137,0.7015780 1207.619,0.9025710 1208.101,0.9504170 
1208.583,0.8768770 1209.065,0.5760920 1209.547,0.2793630 1210.030,0.2670720 
1210.512,0.4596460 1210.994,0.6569770 1211.476,0.8244790 1211.958,0.8918850 
1212.440,0.8198710 1212.922,0.7155180 1213.404,0.5414920 1213.887,0.3992800 
1214.369,0.3447780 1214.851,0.3157630 1215.333,0.2412310 1215.815,0.1732950 
1216.297,0.2624710 1216.779,0.5341630 1217.261,0.6201060 1217.744,0.4706630 
1218.226,0.3618610 1218.708,0.3229200 1219.190,0.3496170 1219.672,0.4640340 
1220.154,0.5327540 1220.636,0.4108190 1221.118,0.1948100 1221.600,0.1034220 
1222.083,8.8215001E-02 1222.565,2.4114000E-02 1223.047,5.2731998E-02 
1223.529,6.1067000E-02 1224.011,1.0125000E-02 1224.493,0.1712370 
1224.975,0.4103190 1225.457,0.5370390 1225.939,0.3411400 
1226.422,8.6230002E-02 1226.904,9.6999996E-05 1227.386,8.5509997E-03 
1227.868,8.5059002E-02 1228.350,0.1659840 1228.832,0.1688350 
1229.314,0.1040790 1229.796,2.1369001E-02 1230.279,7.8139998E-02 
1230.761,8.4981002E-02 1231.243,0.1331580 1231.725,0.2892470 
1232.207,0.2541860 1232.689,0.2076910 1233.171,0.2543000 1233.653,0.3262460 
1234.135,0.3472600 1234.618,0.3382810 1235.100,0.3818920 1235.582,0.5029560 
1236.064,0.5200180 1236.546,0.3953020 1237.028,0.3612280 1237.510,0.4761430 
1237.992,0.5357700 1238.474,0.4387800 1238.957,0.3038540 1239.439,0.2388640 
1239.921,0.2326360 1240.403,0.2952310 1240.885,0.4107760 1241.367,0.5582240 
1241.849,0.6874550 1242.331,0.6617810 1242.814,0.4929550 1243.296,0.3459460 
1243.778,0.2798000 1244.260,0.2949340 1244.742,0.4618280 1245.224,0.6304510 
1245.706,0.7004940 1246.188,0.6808380 1246.671,0.5026640 1247.153,0.2958720 
1247.635,0.2253130 1248.117,0.2739160 1248.599,0.2988190 1249.081,0.2768260 
1249.563,0.2958760 1250.045,0.4147260 1250.527,0.4629300 1251.010,0.3773780 
1251.492,0.2984740 1251.974,0.2989910 1252.456,0.3521740 1252.938,0.4477590 
1253.420,0.5620440 1253.902,0.5971380 1254.384,0.5343960 1254.866,0.4087030 
1255.349,0.3056710 1255.831,0.2522030 1256.313,0.2558090 1256.795,0.2965750 
1257.277,0.3669260 1257.759,0.4635360 1258.241,0.5905360 1258.723,0.7032970 
1259.206,0.7574470 1259.688,0.7439650 1260.170,0.5608410 1260.652,0.3641030 
1261.134,0.4133680 1261.616,0.6193900 1262.098,0.7705900 1262.580,0.8189960 
1263.063,0.8200560 1263.545,0.7755800 1264.027,0.7269200 1264.509,0.6918960 
1264.991,0.6468580 1265.473,0.5844960 1265.955,0.4980410 1266.437,0.3267810 
1266.919,0.1833290 1267.401,0.2496770 1267.884,0.4803080 1268.366,0.5979190 
1268.848,0.5924390 1269.330,0.5431060 1269.812,0.4466260 1270.294,0.4686730 
1270.776,0.6400800 1271.258,0.7586300 1271.741,0.7230990 1272.223,0.6147770 
1272.705,0.4949400 1273.187,0.3994780 1273.669,0.3990750 1274.151,0.4472610 
1274.633,0.5262970 1275.115,0.5697700 1275.598,0.3973930 
1276.080,9.6538998E-02 1276.562,1.2636000E-02 1277.044,0.1535230 
1277.526,0.2889040 1278.008,0.1561670 1278.490,0.0000000E+00 
##MOLFORM=C2 Ca Fe0.33 Mg0.67 O6
##RESOLUTION=4
##PRESSURE=100
##TEMPERATURE=26.85
##END=
