##TITLE=1000021
##JCAMP-DX=4.24
##DATA TYPE=RAMAN SPECTRUM
##SOURCE REFERENCE=http://solsa.crystallography.net/rod/1000021.rod
##OWNER=PUBLIC DOMAIN
##XUNITS=1/CM
##YUNITS=ARBITRARY UNITS
##FIRSTX=109.9378
##LASTX=1270.392
##XFACTOR=1
##YFACTOR=1
##NPOINTS=2408
##FIRSTY=0.0000000E+00
##LASTY=0.0000000E+00
##XYPOINTS=(XY..XY)
109.9378,0.0000000E+00 110.4199,4.6844002E-02 110.9020,1.464771 
111.3841,2.805763 111.8663,3.517338 112.3484,3.796913 112.8305,3.957993 
113.3126,4.175949 113.7947,4.427635 114.2768,4.934025 114.7590,5.609283 
115.2411,6.511959 115.7232,7.759224 116.2053,9.276844 116.6874,10.82967 
117.1695,12.20309 117.6517,13.39529 118.1338,14.96208 118.6159,16.75385 
119.0980,18.77916 119.5801,21.00793 120.0622,23.42751 120.5444,26.27438 
121.0265,30.11779 121.5086,34.95476 121.9907,39.77537 122.4728,45.64221 
122.9549,51.37244 123.4371,53.83534 123.9192,51.17506 124.4013,46.13662 
124.8834,41.96319 125.3655,38.31569 125.8476,35.05749 126.3298,32.75381 
126.8119,31.62298 127.2940,31.11728 127.7761,31.13395 128.2582,31.80600 
128.7403,33.15385 129.2225,35.21054 129.7046,37.97173 130.1867,41.71397 
130.6688,47.90203 131.1509,52.14830 131.6330,54.81604 132.1152,55.30759 
132.5973,52.63589 133.0794,46.28752 133.5615,37.12666 134.0436,28.86723 
134.5257,21.26114 135.0079,14.93960 135.4900,10.18669 135.9721,6.767284 
136.4542,4.356222 136.9363,2.825457 137.4184,2.129999 137.9006,1.418564 
138.3827,0.6638600 138.8648,8.3659999E-02 139.3469,0.9121190 139.8290,1.768871 
140.3111,2.376539 140.7933,2.441133 141.2754,1.996632 141.7575,1.615664 
142.2396,1.322357 142.7217,1.068216 143.2038,0.8998340 143.6860,0.8883360 
144.1681,0.7344800 144.6502,0.1024060 145.1323,0.8513890 145.6144,1.833925 
146.0965,2.658447 146.5787,3.417633 147.0608,4.424202 147.5429,5.901970 
148.0250,7.321527 148.5071,8.422773 148.9892,9.236275 149.4714,9.872021 
149.9535,10.42996 150.4356,10.94279 150.9177,11.23673 151.3998,11.21837 
151.8819,11.01938 152.3641,10.57609 152.8462,9.937418 153.3283,9.261259 
153.8104,8.673061 154.2925,8.057686 154.7746,7.924795 155.2568,8.505602 
155.7389,9.285418 156.2210,10.01714 156.7031,10.62216 157.1852,11.09279 
157.6673,11.39202 158.1495,11.31099 158.6316,11.42615 159.1137,11.89900 
159.5958,12.49284 160.0779,12.97931 160.5600,13.28242 161.0422,13.45629 
161.5243,13.56860 162.0064,13.47034 162.4885,13.63953 162.9706,14.20977 
163.4527,15.11860 163.9349,16.22675 164.4170,17.45136 164.8991,18.92495 
165.3812,20.81129 165.8633,23.03858 166.3454,25.76215 166.8276,29.48305 
167.3097,34.01595 167.7918,38.29792 168.2739,42.70975 168.7560,45.71218 
169.2381,45.57809 169.7203,41.72062 170.2024,36.02295 170.6845,29.83935 
171.1666,22.97054 171.6487,16.94700 172.1308,12.40924 172.6130,8.925076 
173.0951,6.430522 173.5772,4.970985 174.0593,4.150717 174.5414,3.263884 
175.0235,2.157417 175.5057,1.337299 175.9878,0.9756110 176.4699,0.8588890 
176.9520,0.7969010 177.4341,0.7063190 177.9162,0.6146360 178.3984,0.6076990 
178.8805,0.7705560 179.3626,0.9180640 179.8447,1.038322 180.3268,1.127734 
180.8089,1.185267 181.2911,1.209967 181.7732,1.201140 182.2553,1.152536 
182.7374,0.9682030 183.2195,0.8417230 183.7016,0.8455430 184.1838,0.9354460 
184.6659,1.033324 185.1480,1.095334 185.6301,1.124171 186.1122,1.125255 
186.5943,1.056294 187.0764,1.009184 187.5586,1.033872 188.0407,1.114314 
188.5228,1.207159 189.0049,1.311761 189.4870,1.394613 189.9691,1.313567 
190.4513,0.7941980 190.9334,0.3441050 191.4155,0.3832980 191.8976,0.8843310 
192.3797,1.372712 192.8618,1.506145 193.3440,1.389602 193.8261,1.341486 
194.3082,1.431084 194.7903,1.561867 195.2724,1.629400 195.7545,1.619305 
196.2367,1.596586 196.7188,1.639865 197.2009,1.661024 197.6830,1.545123 
198.1651,1.212762 198.6472,0.8157930 199.1294,0.6051180 199.6115,0.6365510 
200.0936,0.6992210 200.5757,0.6759500 201.0578,0.6217600 201.5399,0.6107450 
202.0221,0.7131580 202.5042,0.9051050 202.9863,1.016563 203.4684,0.8933670 
203.9505,0.8650870 204.4326,1.083576 204.9148,1.435160 205.3969,1.770254 
205.8790,2.000798 206.3611,2.141088 206.8432,2.266584 207.3253,2.276386 
207.8075,2.403571 208.2896,2.749037 208.7717,3.229256 209.2538,3.729984 
209.7359,4.178588 210.2180,4.581526 210.7002,4.981054 211.1823,5.412866 
211.6644,5.803225 212.1465,6.152809 212.6286,6.449371 213.1107,6.653385 
213.5929,6.723190 214.0750,6.679478 214.5571,6.828519 215.0392,7.388856 
215.5213,7.892744 216.0034,8.148878 216.4856,8.242013 216.9677,8.363432 
217.4498,8.641114 217.9319,9.062649 218.4140,9.480488 218.8961,9.972178 
219.3783,10.38050 219.8604,10.55213 220.3425,10.57026 220.8246,10.69730 
221.3067,11.13271 221.7888,11.82605 222.2710,12.34289 222.7531,12.55840 
223.2352,12.74984 223.7173,13.04178 224.1994,13.42980 224.6815,13.88630 
225.1637,14.45285 225.6458,15.05857 226.1279,15.50758 226.6100,15.75528 
227.0921,15.90073 227.5742,15.95921 228.0564,15.92864 228.5385,15.85868 
229.0206,15.71224 229.5027,15.55494 229.9848,15.54128 230.4669,15.80178 
230.9491,16.04436 231.4312,15.98049 231.9133,15.60509 232.3954,15.22715 
232.8775,15.08647 233.3596,14.97015 233.8418,14.60561 234.3239,13.91819 
234.8060,13.05370 235.2881,12.13833 235.7702,11.17467 236.2523,10.19471 
236.7345,9.109781 237.2166,8.031028 237.6987,7.105905 238.1808,6.376196 
238.6629,5.736374 239.1451,5.011401 239.6272,4.150747 240.1093,3.478851 
240.5914,3.263446 241.0735,3.185297 241.5556,3.047646 242.0378,2.803159 
242.5199,2.505982 243.0020,2.201550 243.4841,1.867919 243.9662,1.617144 
244.4483,1.508389 244.9305,1.459396 245.4126,1.447618 245.8947,1.461721 
246.3768,1.453209 246.8589,1.340214 247.3410,1.075104 247.8231,0.8523920 
248.3053,0.7296050 248.7874,0.6160160 249.2695,0.4457760 249.7516,0.2184100 
250.2337,1.5430000E-03 250.7158,0.1254100 251.1980,0.1182530 
251.6801,0.1095230 252.1622,0.1300590 252.6443,0.1274390 
253.1264,4.6305001E-02 253.6085,0.1057600 254.0907,0.2570910 
254.5728,0.3104030 255.0549,0.2167660 255.5370,0.1752510 256.0191,0.2317830 
256.5013,0.2924930 256.9834,0.3083340 257.4655,0.2762050 257.9476,0.2182430 
258.4297,0.1483850 258.9118,4.3046001E-02 259.3940,2.9479001E-02 
259.8761,0.1831590 260.3582,0.3439710 260.8403,0.1870460 261.3224,0.4757600 
261.8045,0.6312660 262.2867,0.6617220 262.7688,0.1901820 263.2509,0.3702920 
263.7330,0.2908320 264.2151,0.2013030 264.6972,0.4747400 
265.1794,7.9636998E-02 265.6615,0.3472030 266.1436,0.3501630 
266.6257,0.4741480 267.1078,0.3358970 267.5899,0.2785630 268.0721,0.4834470 
268.5542,0.5430570 269.0363,0.3744160 269.5184,0.5057740 270.0005,0.1009710 
270.4826,0.1665710 270.9648,0.4350900 271.4469,0.2793790 271.9290,0.4152900 
272.4111,0.4400610 272.8932,4.0047001E-02 273.3753,0.3577430 
273.8575,0.3757930 274.3396,3.9349999E-03 274.8217,0.3714800 
275.3038,5.3266998E-02 275.7859,2.0238999E-02 276.2680,9.0387002E-02 
276.7502,8.9419996E-03 277.2323,0.2303410 277.7144,0.1601680 
278.1965,6.3651003E-02 278.6786,8.0746002E-02 279.1607,0.2244420 
279.6428,6.8069004E-02 280.1249,4.7832001E-02 280.6071,3.9190002E-02 
281.0892,0.1721690 281.5713,4.7207002E-02 282.0534,0.1063190 
282.5355,0.3185860 283.0176,0.2596860 283.4998,0.2530200 
283.9819,6.2856004E-02 284.4640,0.3596690 284.9461,0.3146650 
285.4282,7.0648998E-02 285.9103,0.2170080 286.3925,0.1280900 
286.8746,0.1477690 287.3567,0.3450700 287.8388,0.3446670 288.3209,0.2690780 
288.8030,0.2875980 289.2852,0.4343090 289.7673,0.5721510 290.2494,0.5327550 
290.7315,0.3333010 291.2136,0.2074010 291.6957,0.3118670 292.1779,0.4432730 
292.6600,0.3026690 293.1421,0.1454930 293.6242,0.5148190 294.1063,0.3987200 
294.5884,9.1242999E-02 295.0706,0.3634340 295.5527,0.1700420 
296.0348,9.3327999E-02 296.5169,5.1600002E-03 296.9990,0.4276890 
297.4811,0.7945170 297.9633,0.7938740 298.4454,0.5325750 298.9275,0.3850420 
299.4096,0.4719560 299.8917,0.5748960 300.3738,0.4856570 300.8560,0.2428880 
301.3381,0.1266310 301.8202,0.3332110 302.3023,0.6830430 302.7844,0.7940850 
303.2665,0.5552390 303.7487,0.3550430 304.2308,0.4961130 304.7129,0.8766120 
305.1950,1.121255 305.6771,1.067774 306.1592,0.8923550 306.6414,0.8488660 
307.1235,0.9378160 307.6056,1.039447 308.0877,1.161741 308.5698,1.291356 
309.0519,1.351874 309.5341,1.291848 310.0162,1.164638 310.4983,1.003629 
310.9804,0.8253610 311.4625,0.7568790 311.9446,0.9143400 312.4268,1.142648 
312.9089,1.243977 313.3910,1.197483 313.8731,1.075643 314.3552,0.8645300 
314.8373,0.6133850 315.3195,0.4939360 315.8016,0.6515410 316.2837,0.8912190 
316.7658,1.005757 317.2479,0.9872770 317.7300,0.9221970 318.2122,0.8107000 
318.6943,0.7026710 319.1764,0.7116220 319.6585,0.8985050 320.1406,1.138263 
320.6227,1.368909 321.1049,1.583790 321.5870,1.736907 322.0691,1.811852 
322.5512,1.802270 323.0333,1.696837 323.5154,1.455824 323.9976,1.250231 
324.4797,1.186463 324.9618,1.232512 325.4439,1.294175 325.9260,1.349745 
326.4081,1.405768 326.8903,1.508807 327.3724,1.665832 327.8545,1.701672 
328.3366,1.394248 328.8187,0.9695800 329.3008,0.8633670 329.7830,1.200531 
330.2651,1.570211 330.7472,1.519604 331.2293,1.129738 331.7114,0.8158170 
332.1935,0.6824060 332.6757,0.6417200 333.1578,0.6134810 333.6399,0.5927880 
334.1220,0.5751550 334.6041,0.5348830 335.0862,0.5002240 335.5684,0.5566100 
336.0505,0.7971540 336.5326,1.037050 337.0147,1.140754 337.4968,1.142988 
337.9789,1.144290 338.4611,1.213325 338.9432,1.290339 339.4253,1.229464 
339.9074,0.9622810 340.3895,0.7475410 340.8716,0.7624010 341.3538,0.9065310 
341.8359,0.9825910 342.3180,0.9043690 342.8001,0.7738660 343.2822,0.7406980 
343.7643,0.8090810 344.2465,0.7964540 344.7286,0.5885090 345.2107,0.3195500 
345.6928,0.1217000 346.1749,1.3710000E-02 346.6570,9.1350004E-03 
347.1392,0.1642510 347.6213,0.4804820 348.1034,0.6365440 348.5855,0.5004030 
349.0676,0.3153440 349.5497,0.2514300 350.0319,0.2884580 350.5140,0.2883660 
350.9961,0.1365670 351.4782,0.1163050 351.9603,0.1627850 352.4424,0.2733070 
352.9246,0.5567310 353.4067,0.3551580 353.8888,0.1097870 354.3709,0.4317040 
354.8530,0.4578620 355.3351,0.2915420 355.8173,0.1076740 356.2994,0.1396600 
356.7815,0.2987130 357.2636,0.3202360 357.7457,0.2678770 358.2278,0.1742450 
358.7100,5.4675002E-02 359.1921,3.7076999E-02 359.6742,3.5316002E-02 
360.1563,8.0040000E-02 360.6384,0.1758760 361.1205,0.2761050 
361.6027,0.3382180 362.0848,0.3293910 362.5669,0.2601440 363.0490,0.1574460 
363.5311,3.1691998E-02 364.0132,0.1067490 364.4954,0.1664130 
364.9775,3.1938002E-02 365.4596,9.3617998E-02 365.9417,0.2294580 
366.4238,0.6848110 366.9059,0.9020790 367.3881,0.7324730 367.8702,0.3549960 
368.3523,0.1423120 368.8344,0.2852320 369.3165,0.2834390 
369.7986,1.6023999E-02 370.2808,0.3417700 370.7629,0.4651140 
371.2450,0.3742760 371.7271,0.2419040 372.2092,0.2678090 372.6913,0.4976720 
373.1735,0.5888820 373.6556,0.3437890 374.1377,0.1670120 374.6198,0.2496180 
375.1019,0.5127910 375.5840,0.7923020 376.0662,0.9949210 376.5483,1.108959 
377.0304,1.060328 377.5125,0.6573590 377.9946,0.3675930 378.4767,0.2747110 
378.9589,0.3159550 379.4410,0.4652070 379.9231,0.7065510 380.4052,0.9541440 
380.8873,1.055739 381.3694,0.9445430 381.8516,0.9082430 382.3337,1.084964 
382.8158,1.246480 383.2979,1.234375 383.7800,1.077239 384.2621,0.9429830 
384.7443,0.9878470 385.2264,1.195325 385.7085,1.365306 386.1906,1.512032 
386.6727,1.593364 387.1548,1.519832 387.6370,1.396209 388.1191,1.390363 
388.6012,1.595693 389.0833,1.908493 389.5654,2.126756 390.0475,2.214023 
390.5297,2.373013 391.0118,2.681468 391.4939,3.087752 391.9760,3.492603 
392.4581,3.878615 392.9402,4.507356 393.4224,5.533026 393.9045,6.965210 
394.3866,8.756318 394.8687,10.55726 395.3508,13.35380 395.8329,17.84685 
396.3151,23.85367 396.7972,31.03307 397.2793,40.34064 397.7614,50.24295 
398.2435,59.23850 398.7256,67.38321 399.2078,72.89523 399.6899,73.89046 
400.1720,71.63397 400.6541,69.12579 401.1362,65.94298 401.6183,63.53269 
402.1004,62.84235 402.5826,63.60780 403.0647,65.17572 403.5468,67.42386 
404.0289,70.18115 404.5110,73.30875 404.9931,76.79904 405.4753,80.53064 
405.9574,84.63844 406.4395,88.85668 406.9216,92.88331 407.4037,96.72326 
407.8858,100.5929 408.3680,104.6342 408.8501,108.8511 409.3322,113.1057 
409.8143,116.9903 410.2964,121.4274 410.7785,126.6966 411.2607,132.7226 
411.7428,139.0975 412.2249,145.5779 412.7070,153.1031 413.1891,163.5519 
413.6712,178.4229 414.1534,193.8196 414.6355,210.5835 415.1176,227.2152 
415.5997,246.1883 416.0818,265.2662 416.5639,276.3345 417.0461,272.0099 
417.5282,252.2621 418.0103,223.9518 418.4924,175.1450 418.9745,130.6433 
419.4566,94.50214 419.9388,66.28780 420.4209,45.25360 420.9030,31.32399 
421.3851,22.73738 421.8672,16.41230 422.3493,12.93791 422.8315,10.26766 
423.3136,8.432472 423.7957,7.034956 424.2778,5.962647 424.7599,5.154727 
425.2420,4.476472 425.7242,3.796415 426.2063,3.117605 426.6884,2.586617 
427.1705,2.287154 427.6526,2.043720 428.1347,1.737889 428.6169,1.416946 
429.0990,1.160411 429.5811,0.9985110 430.0632,0.9019120 430.5453,0.8524360 
431.0274,0.8514410 431.5096,0.8254140 431.9917,0.7176120 432.4738,0.6143980 
432.9559,0.6393310 433.4380,0.7898730 433.9201,0.8506930 434.4023,0.6062210 
434.8844,0.2382550 435.3665,8.5616000E-02 435.8486,0.1929250 
436.3307,0.3840520 436.8128,0.6047330 437.2950,0.8016630 437.7771,0.7913350 
438.2592,0.3023930 438.7413,0.1074300 439.2234,2.6626000E-02 
439.7055,0.3634020 440.1877,0.6114510 440.6698,0.5417380 441.1519,0.3218580 
441.6340,0.2231860 442.1161,0.2999060 442.5982,0.3427980 443.0804,0.2984100 
443.5625,0.2498050 444.0446,0.2685030 444.5267,0.3484810 445.0088,0.4332900 
445.4909,0.4818270 445.9731,0.4963920 446.4552,0.5002370 446.9373,0.4486520 
447.4194,0.4406270 447.9015,0.5115820 448.3836,0.6238490 448.8658,0.7796240 
449.3479,0.9640500 449.8300,1.070648 450.3121,0.8911390 450.7942,0.2808830 
451.2763,7.0702001E-02 451.7585,3.8761999E-02 452.2406,0.2249070 
452.7227,0.3617040 453.2048,0.4592650 453.6869,0.5765790 454.1690,0.7597310 
454.6512,0.9689110 455.1333,1.092321 455.6154,1.093366 456.0975,1.117586 
456.5796,1.209574 457.0617,1.345045 457.5439,1.520035 458.0260,1.732456 
458.5081,1.952709 458.9902,2.166682 459.4723,2.370293 459.9544,2.544840 
460.4366,2.678570 460.9187,2.811579 461.4008,2.999949 461.8829,3.211643 
462.3650,3.358459 462.8471,3.332825 463.3293,3.336114 463.8114,3.549517 
464.2935,3.925964 464.7756,4.299431 465.2577,4.611956 465.7398,4.886521 
466.2220,5.143081 466.7041,5.360876 467.1862,5.649002 467.6683,6.070757 
468.1504,6.531185 468.6325,6.923924 469.1147,7.267258 469.5968,7.669916 
470.0789,8.209640 470.5610,8.877898 471.0431,9.608037 471.5252,10.57966 
472.0074,11.39456 472.4895,11.81973 472.9716,12.17087 473.4537,12.74214 
473.9358,13.60631 474.4179,14.66812 474.9001,15.77660 475.3822,16.88142 
475.8643,18.39252 476.3464,20.51753 476.8285,22.85728 477.3106,25.27855 
477.7928,27.82588 478.2749,30.58465 478.7570,33.59731 479.2391,36.82644 
479.7212,40.17667 480.2033,43.64920 480.6855,47.36105 481.1676,51.67456 
481.6497,55.95715 482.1318,59.81390 482.6139,63.24102 483.0960,66.17692 
483.5782,68.31134 484.0603,70.06637 484.5424,72.16314 485.0245,74.63206 
485.5066,77.02247 485.9887,78.92531 486.4709,80.70500 486.9530,83.22967 
487.4351,86.77181 487.9172,90.37713 488.3993,93.71824 488.8814,96.94013 
489.3636,100.1873 489.8457,103.5126 490.3278,106.8810 490.8099,110.2399 
491.2920,113.5430 491.7741,117.4599 492.2563,122.0343 492.7384,127.0143 
493.2205,132.7503 493.7026,138.7133 494.1847,144.0683 494.6668,148.5139 
495.1490,152.6142 495.6311,157.4493 496.1132,163.5788 496.5953,168.5797 
497.0774,172.6072 497.5595,175.3400 498.0417,177.0266 498.5238,177.2625 
499.0059,175.2683 499.4880,170.5916 499.9701,163.4899 500.4522,154.1142 
500.9344,142.1326 501.4165,129.8309 501.8986,117.4819 502.3807,105.4393 
502.8628,93.93016 503.3449,83.02422 503.8271,72.97260 504.3092,63.70065 
504.7913,55.43483 505.2734,48.78124 505.7555,43.76164 506.2376,39.38128 
506.7198,35.10302 507.2019,31.02836 507.6840,27.47375 508.1661,24.51072 
508.6482,21.84269 509.1303,19.35258 509.6125,17.13440 510.0946,15.34375 
510.5767,13.98777 511.0588,12.94084 511.5409,12.13488 512.0230,11.56633 
512.5051,10.79599 512.9872,9.570681 513.4694,8.440116 513.9515,7.514627 
514.4336,6.740778 514.9157,6.070848 515.3978,5.483621 515.8799,4.956165 
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518.2905,3.163477 518.7726,3.004685 519.2548,2.855996 519.7369,2.741028 
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526.0044,1.602233 526.4865,1.747978 526.9686,1.802473 527.4507,1.700810 
527.9329,1.511126 528.4150,1.355858 528.8971,1.235153 529.3792,1.156886 
529.8613,1.152447 530.3434,1.158879 530.8256,1.126004 531.3077,1.074378 
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533.7183,1.686622 534.2004,1.835897 534.6825,1.660147 535.1646,1.394430 
535.6467,1.143776 536.1288,0.9195720 536.6110,0.7204080 537.0931,0.5051540 
537.5752,0.3344670 538.0573,0.3842370 538.5394,0.6690130 539.0215,0.8454940 
539.5037,0.7266690 539.9858,0.4605060 540.4679,0.2856740 540.9500,0.2015610 
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543.3606,2.5338000E-02 543.8427,0.2657410 544.3248,0.4578540 
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546.7354,4.4663999E-02 547.2175,0.1924820 547.6996,0.1152740 
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549.6281,5.0969999E-03 550.1102,3.5156999E-02 550.5923,0.4447290 
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553.0029,0.1248020 553.4850,3.7112001E-02 553.9672,3.5980001E-02 
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555.8956,4.7809001E-02 556.3777,5.9682000E-02 556.8599,3.4472000E-02 
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575.6624,8.7912999E-02 576.1445,9.6777000E-02 576.6266,8.4789999E-02 
577.1088,8.9369997E-02 577.5909,0.3243200 578.0730,0.5757340 
578.5551,0.8012140 579.0372,0.8809720 579.5193,0.7791160 580.0015,0.7292750 
580.4836,0.7738620 580.9657,0.8915750 581.4478,1.111274 581.9299,1.406473 
582.4120,1.624372 582.8942,1.633366 583.3763,1.577497 583.8584,1.533731 
584.3405,1.540698 584.8226,1.786249 585.3047,2.369125 585.7869,3.033068 
586.2690,3.364890 586.7511,3.197532 587.2332,3.593122 587.7153,4.866525 
588.1974,6.317171 588.6796,7.195292 589.1617,8.192023 589.6438,10.31300 
590.1259,13.92597 590.6080,18.89465 591.0901,25.28610 591.5723,33.27242 
592.0544,41.21063 592.5365,50.37316 593.0186,57.41989 593.5007,60.53078 
593.9828,60.83825 594.4650,59.64190 594.9471,56.79563 595.4292,54.22157 
595.9113,53.29759 596.3934,53.75434 596.8755,55.06842 597.3577,57.16615 
597.8398,59.87344 598.3219,63.13270 598.8040,66.88928 599.2861,70.82644 
599.7682,75.21402 600.2504,79.39539 600.7325,83.13979 601.2146,86.73782 
601.6967,90.44395 602.1788,94.28926 602.6609,98.10376 603.1431,101.6221 
603.6252,105.1049 604.1073,109.4501 604.5894,114.4031 605.0715,120.9331 
605.5536,129.6195 606.0358,139.8099 606.5179,151.7911 607.0000,165.2298 
607.4821,178.1526 607.9642,192.3182 608.4464,203.5935 608.9285,207.8779 
609.4106,204.9963 609.8927,192.8832 610.3748,169.5528 610.8569,140.6383 
611.3391,113.5711 611.8212,87.81765 612.3033,67.33011 612.7854,53.39680 
613.2675,43.10858 613.7496,36.09746 614.2318,31.53084 614.7139,28.52778 
615.1960,26.70762 615.6781,25.76654 616.1602,25.37971 616.6423,25.55726 
617.1245,26.05502 617.6066,26.96457 618.0887,28.03138 618.5708,29.19854 
619.0529,30.42643 619.5350,31.65855 620.0172,32.87540 620.4993,34.16235 
620.9814,35.41438 621.4635,36.83887 621.9456,38.74086 622.4277,41.15435 
622.9099,43.96830 623.3920,47.03511 623.8741,50.54937 624.3562,55.14753 
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626.7668,92.51472 627.2489,98.78773 627.7310,101.3470 628.2131,98.97210 
628.6953,92.37762 629.1774,81.68404 629.6595,66.76498 630.1416,52.49469 
630.6237,39.11599 631.1058,27.72579 631.5880,19.81744 632.0701,14.68914 
632.5522,10.63890 633.0343,7.608070 633.5164,5.371410 633.9985,4.112918 
634.4807,3.464816 634.9628,2.887918 635.4449,2.253950 635.9270,1.668736 
636.4091,1.238050 636.8912,0.9508940 637.3734,0.7260280 637.8555,0.6416810 
638.3376,0.4920740 638.8197,0.1212160 639.3018,0.2259330 639.7839,0.3449260 
640.2661,0.2428860 640.7482,7.7785000E-02 641.2303,9.6418999E-02 
641.7124,0.2472850 642.1945,0.3252210 642.6766,0.3312260 643.1588,0.2577410 
643.6409,7.1709000E-02 644.1230,0.1064040 644.6051,0.1163690 
645.0872,7.1526997E-02 645.5693,0.2173490 646.0515,0.3390020 
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650.3905,1.414010 650.8726,2.026757 651.3547,2.569649 651.8369,2.766794 
652.3190,2.930860 652.8011,3.355376 653.2832,4.059398 653.7653,4.969770 
654.2474,5.951645 654.7296,7.213743 655.2117,8.849094 655.6938,10.92332 
656.1759,13.55244 656.6580,16.77112 657.1401,20.73830 657.6223,25.64272 
658.1044,31.43051 658.5865,38.51824 659.0686,49.44262 659.5507,58.74305 
660.0328,65.02275 660.5150,68.94468 660.9971,70.90083 661.4792,71.06644 
661.9613,70.65373 662.4434,70.13000 662.9255,69.84350 663.4077,70.63133 
663.8898,72.52438 664.3719,75.06574 664.8540,78.00385 665.3361,81.54352 
665.8182,86.14980 666.3004,92.22331 666.7825,97.98019 667.2646,103.4054 
667.7467,108.5225 668.2288,113.0000 668.7109,117.2955 669.1931,122.0244 
669.6752,127.4292 670.1573,133.4562 670.6394,139.8369 671.1215,146.6492 
671.6036,154.9191 672.0858,164.8257 672.5679,175.6070 673.0500,187.8408 
673.5321,200.0905 674.0142,211.2631 674.4963,221.9611 674.9785,227.2853 
675.4606,226.7620 675.9427,219.4755 676.4248,202.7562 676.9069,178.7712 
677.3890,151.4505 677.8712,122.3644 678.3533,94.32238 678.8354,71.19457 
679.3175,53.10690 679.7996,38.85245 680.2817,29.35769 680.7639,22.36340 
681.2460,17.80000 681.7281,14.69831 682.2102,12.12229 682.6923,9.927447 
683.1744,8.052589 683.6566,6.403619 684.1387,5.080524 684.6208,4.297467 
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715.9583,0.1820420 716.4404,0.1196810 716.9225,6.3923001E-02 
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720.2974,5.0834998E-02 720.7795,9.2010004E-03 721.2616,0.1803520 
721.7437,0.2515090 722.2258,2.5249999E-03 722.7079,0.3295410 
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725.1185,0.6708220 725.6006,0.6154550 726.0828,0.3972340 726.5649,0.2575690 
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730.4218,0.2386820 730.9039,3.0177001E-02 731.3860,3.0479999E-02 
731.8682,1.4514000E-02 732.3503,4.0387999E-02 732.8324,3.1250000E-03 
733.3145,4.8632000E-02 733.7966,3.8068999E-02 734.2787,2.5172999E-02 
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738.1357,0.1674160 738.6178,0.2527840 739.0999,0.3490370 739.5820,0.3609930 
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745.8495,0.4197830 746.3317,0.3644330 746.8138,0.2107020 747.2959,0.1352910 
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753.5634,0.4001260 754.0455,9.1534004E-02 754.5276,0.1818480 
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756.9382,0.4872010 757.4203,0.3846200 757.9025,0.4109510 758.3846,0.5843220 
758.8667,0.7621810 759.3488,0.8337230 759.8309,0.8064810 760.3130,0.6311380 
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768.5090,0.8046550 768.9911,1.164213 769.4733,1.354690 769.9554,1.341389 
770.4375,1.199914 770.9196,0.9414400 771.4017,0.6506720 771.8839,0.5524000 
772.3660,0.7560030 772.8481,0.8378050 773.3302,0.6612770 773.8123,0.5125470 
774.2944,0.5368570 774.7766,0.6451970 775.2587,0.7046380 775.7408,0.6963600 
776.2229,0.7028440 776.7050,0.8281070 777.1871,0.9588740 777.6693,0.9329180 
778.1514,0.7941520 778.6335,0.6786280 779.1156,0.6136390 779.5977,0.5779790 
780.0798,0.5720420 780.5620,0.5740000 781.0441,0.5120740 781.5262,0.3211530 
782.0083,0.2233720 782.4904,0.3282350 782.9725,0.4568310 783.4547,0.5074380 
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785.8652,0.5438170 786.3474,0.7194340 786.8295,0.5524270 787.3116,0.1518710 
787.7937,6.9641002E-02 788.2758,9.6320003E-02 788.7579,0.4157180 
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791.1685,0.4347400 791.6506,0.4295250 792.1328,0.4009580 792.6149,0.3039850 
793.0970,0.1355360 793.5791,6.8507001E-02 794.0612,0.2203840 
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796.4718,0.1081810 796.9539,0.2055350 797.4360,2.6876001E-02 
797.9182,0.2741500 798.4003,0.5190940 798.8824,0.7072290 799.3645,0.8306520 
799.8466,0.8879950 800.3287,0.9123540 800.8109,0.9362550 801.2930,0.9077830 
801.7751,0.6862810 802.2572,0.1339640 802.7393,0.1448370 
803.2214,9.7797997E-02 803.7036,0.3283120 804.1857,0.3789100 
804.6678,0.3579580 805.1499,0.4145690 805.6320,0.5522650 806.1141,0.5961920 
806.5963,0.3299680 807.0784,6.5214001E-02 807.5605,9.4913997E-02 
808.0426,0.3074450 808.5247,0.5212920 809.0068,0.6875510 809.4890,0.7823110 
809.9711,0.7846260 810.4532,0.7133320 810.9353,0.5953380 811.4174,0.4131420 
811.8995,0.3191840 812.3817,0.3531670 812.8638,0.4533370 813.3459,0.5914680 
813.8280,0.7383280 814.3101,0.8285480 814.7922,0.8472900 815.2744,0.8743170 
815.7565,0.9606270 816.2386,1.014257 816.7207,0.9745160 817.2028,0.8795720 
817.6849,0.7627730 818.1671,0.6419740 818.6492,0.5579800 819.1313,0.5385990 
819.6134,0.5758120 820.0955,0.6760250 820.5776,0.8247380 821.0598,0.9729190 
821.5419,1.112330 822.0240,1.172918 822.5061,1.090444 822.9882,0.9165260 
823.4703,0.9276240 823.9525,1.251680 824.4346,1.450553 824.9167,1.363312 
825.3988,1.309658 825.8809,1.470594 826.3630,1.702586 826.8452,1.840781 
827.3273,1.838307 827.8094,1.807739 828.2915,1.826504 828.7736,1.790259 
829.2557,1.500281 829.7379,1.154369 830.2200,1.112054 830.7021,1.402703 
831.1842,1.744229 831.6663,1.935718 832.1484,2.013118 832.6306,2.052051 
833.1127,2.054804 833.5948,2.063867 834.0769,2.085737 834.5590,2.116130 
835.0411,2.132477 835.5233,2.148568 836.0054,2.193754 836.4875,2.323174 
836.9696,2.304055 837.4517,1.953792 837.9338,1.685302 838.4160,1.669768 
838.8981,1.787114 839.3802,1.939523 839.8623,2.099871 840.3444,2.209183 
840.8265,2.229669 841.3087,2.199613 841.7908,2.188585 842.2729,2.160965 
842.7550,2.005457 843.2371,1.748202 843.7192,1.603579 844.2014,1.723433 
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978.2297,4.402664 978.7119,4.787718 979.1940,5.107579 979.6761,5.203079 
980.1582,5.228024 980.6403,5.355571 981.1224,5.581215 981.6046,5.912539 
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987.8721,14.11983 988.3542,14.71063 988.8363,15.27725 989.3184,16.25695 
989.8005,17.74735 990.2827,19.15927 990.7648,20.33631 991.2469,21.62465 
991.7290,23.32211 992.2111,25.21945 992.6932,26.84885 993.1754,28.02884 
993.6575,29.85621 994.1396,32.54033 994.6217,35.46140 995.1038,38.25628 
995.5859,41.46143 996.0681,45.41475 996.5502,50.06801 997.0323,55.26295 
997.5144,60.77111 997.9965,67.49865 998.4786,75.28844 998.9608,84.57983 
999.4429,94.36256 999.9250,106.6468 1000.407,122.4179 1000.889,142.2631 
1001.371,167.3567 1001.853,198.2311 1002.336,234.0857 1002.818,277.8793 
1003.300,323.2466 1003.782,370.0530 1004.264,414.1616 1004.746,450.9725 
1005.228,480.0245 1005.710,501.7185 1006.193,513.6370 1006.675,526.2863 
1007.157,544.1495 1007.639,567.1473 1008.121,595.8600 1008.603,629.4274 
1009.085,666.5624 1009.567,706.7900 1010.049,749.4442 1010.532,794.5378 
1011.014,840.8297 1011.496,887.4810 1011.978,934.4599 1012.460,980.2245 
1012.942,1026.286 1013.424,1075.154 1013.906,1127.850 1014.388,1187.288 
1014.871,1256.763 1015.353,1330.022 1015.835,1409.212 1016.317,1481.831 
1016.799,1523.906 1017.281,1529.779 1017.763,1483.374 1018.245,1381.095 
1018.728,1239.172 1019.210,1066.390 1019.692,881.2017 1020.174,718.4466 
1020.656,578.4102 1021.138,464.3145 1021.620,375.7472 1022.102,306.0245 
1022.584,253.0291 1023.067,212.1030 1023.549,179.2433 1024.031,153.6432 
1024.513,132.8349 1024.995,116.7942 1025.477,103.1279 1025.959,91.64951 
1026.441,81.90231 1026.924,73.81522 1027.406,66.87752 1027.888,60.52745 
1028.370,54.78925 1028.852,49.93969 1029.334,46.03779 1029.816,42.38906 
1030.298,38.91931 1030.781,35.72617 1031.263,32.87648 1031.745,30.34380 
1032.227,28.12364 1032.709,26.20486 1033.191,24.37468 1033.673,22.60034 
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1036.084,16.64617 1036.566,15.59376 1037.048,14.54285 1037.530,13.63679 
1038.012,12.94259 1038.494,12.23604 1038.976,11.48886 1039.459,10.74394 
1039.941,9.946199 1040.423,9.230743 1040.905,8.805143 1041.387,8.658646 
1041.869,8.501288 1042.351,8.425187 1042.833,8.183283 1043.316,7.676160 
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1047.655,4.429708 1048.137,4.292101 1048.619,3.688096 1049.101,3.255617 
1049.583,4.231549 1050.065,6.382030 1050.547,7.072952 1051.029,4.738691 
1051.511,2.953102 1051.994,2.524841 1052.476,2.403680 1052.958,2.148713 
1053.440,1.864848 1053.922,1.735818 1054.404,1.741582 1054.886,1.666519 
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1093.456,3.028198 1093.938,3.498040 1094.420,4.094862 1094.902,5.100541 
1095.384,6.705111 1095.866,8.346124 1096.348,9.714987 1096.830,11.18565 
1097.313,13.07267 1097.795,15.07825 1098.277,16.96297 1098.759,18.68795 
1099.241,20.19703 1099.723,21.43276 1100.205,22.78263 1100.687,24.40583 
1101.169,26.10389 1101.652,27.77036 1102.134,29.50141 1102.616,31.35984 
1103.098,33.34827 1103.580,35.48302 1104.062,37.75629 1104.544,40.13933 
1105.026,42.75597 1105.509,45.27390 1105.991,47.36076 1106.473,49.56976 
1106.955,52.19900 1107.437,55.20089 1107.919,58.66590 1108.401,62.53843 
1108.883,65.95496 1109.365,68.67417 1109.848,71.13030 1110.330,74.06065 
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1112.740,69.49438 1113.222,67.66213 1113.704,66.75399 1114.187,67.24168 
1114.669,69.61201 1115.151,72.77201 1115.633,76.76690 1116.115,81.12828 
1116.597,85.86547 1117.079,90.59278 1117.561,94.19347 1118.044,96.38705 
1118.526,98.62896 1119.008,100.6022 1119.490,103.1418 1119.972,106.0879 
1120.454,110.0565 1120.936,115.4716 1121.418,122.1651 1121.901,129.9542 
1122.383,138.8851 1122.865,147.9361 1123.347,157.3200 1123.829,166.3933 
1124.311,174.8360 1124.793,183.5848 1125.275,192.9679 1125.757,202.9967 
1126.240,213.7238 1126.722,225.0769 1127.204,236.9780 1127.686,249.8405 
1128.168,262.0305 1128.650,275.3358 1129.132,280.3694 1129.614,274.4141 
1130.096,258.4437 1130.579,231.9142 1131.061,198.3401 1131.543,165.3183 
1132.025,132.6751 1132.507,105.3203 1132.989,83.14011 1133.471,65.60674 
1133.953,52.68058 1134.436,42.71936 1134.918,34.87075 1135.400,28.78636 
1135.882,24.14505 1136.364,20.79219 1136.846,18.13403 1137.328,16.12440 
1137.810,14.38346 1138.292,12.87714 1138.775,11.69081 1139.257,10.84485 
1139.739,10.08160 1140.221,9.134798 1140.703,8.205401 1141.185,7.749535 
1141.667,7.613684 1142.149,7.326387 1142.631,6.925480 1143.114,6.643418 
1143.596,6.534404 1144.078,6.582473 1144.560,6.815494 1145.042,7.165987 
1145.524,7.521543 1146.006,7.969353 1146.488,8.656352 1146.971,9.556027 
1147.453,10.70535 1147.935,11.99999 1148.417,13.20360 1148.899,14.22487 
1149.381,14.96483 1149.863,15.23943 1150.345,15.38323 1150.828,15.51927 
1151.310,15.81100 1151.792,16.47555 1152.274,17.42277 1152.756,18.47631 
1153.238,19.60253 1153.720,20.83997 1154.202,22.21733 1154.684,23.67649 
1155.167,25.09507 1155.649,26.68815 1156.131,28.65344 1156.613,30.83192 
1157.095,32.91148 1157.577,35.07648 1158.059,37.84834 1158.541,41.35926 
1159.023,45.22059 1159.506,50.58634 1159.988,54.53376 1160.470,56.70070 
1160.952,56.70241 1161.434,53.85091 1161.916,48.93639 1162.398,42.54066 
1162.880,34.83044 1163.363,27.92569 1163.845,21.53089 1164.327,16.51645 
1164.809,13.31126 1165.291,10.77810 1165.773,8.699259 1166.255,6.984014 
1166.737,5.572794 1167.219,4.453834 1167.702,3.617542 1168.184,3.079010 
1168.666,2.624354 1169.148,2.246110 1169.630,2.000944 1170.112,1.926424 
1170.594,1.857578 1171.076,1.720211 1171.558,1.494769 1172.041,1.123372 
1172.523,0.6906190 1173.005,0.5550000 1173.487,0.6899250 1173.969,0.7592880 
1174.451,0.7443010 1174.933,0.6986180 1175.415,0.6399410 1175.898,0.5750800 
1176.380,0.5060930 1176.862,0.4554460 1177.344,0.4748720 1177.826,0.5291660 
1178.308,0.5591350 1178.790,0.5496710 1179.272,0.3936630 1179.755,0.1565470 
1180.237,0.1537070 1180.719,0.4754710 1181.201,0.7442310 1181.683,0.6476580 
1182.165,0.4394900 1182.647,0.3690010 1183.129,0.3205050 1183.611,0.1158880 
1184.094,0.1375700 1184.576,0.2547580 1185.058,0.2135160 
1185.540,7.9207003E-02 1186.022,0.1417280 1186.504,0.2883180 
1186.986,0.2598960 1187.468,0.1815400 1187.950,0.1011590 
1188.433,1.6186999E-02 1188.915,0.1396710 1189.397,0.2754800 
1189.879,0.1823260 1190.361,0.1525840 1190.843,0.3329080 1191.325,0.2064910 
1191.807,0.1130510 1192.290,5.2646000E-02 1192.772,5.1295001E-02 
1193.254,0.1589290 1193.736,0.2740150 1194.218,0.2956240 1194.700,0.2701100 
1195.182,0.3309160 1195.664,0.4947160 1196.146,0.5110040 1196.629,0.3403750 
1197.111,0.2456450 1197.593,0.2751340 1198.075,0.3311680 1198.557,0.3788530 
1199.039,0.3553740 1199.521,0.1612980 1200.003,9.4910003E-02 
1200.485,3.9822999E-02 1200.968,0.2310140 1201.450,0.1425110 
1201.932,0.2362070 1202.414,0.3695970 1202.896,0.1756790 
1203.378,2.7733000E-02 1203.860,6.6662997E-02 1204.342,4.2259999E-02 
1204.825,2.1148000E-02 1205.307,3.8773000E-02 1205.789,0.2458380 
1206.271,0.4522070 1206.753,0.2669960 1207.235,0.1247330 1207.717,0.2494190 
1208.199,4.4155002E-02 1208.682,0.1569900 1209.164,0.2071410 
1209.646,0.2378230 1210.128,0.3407440 1210.610,0.4117900 1211.092,0.3687760 
1211.574,0.2855220 1212.056,0.1605420 1212.538,7.0061997E-02 
1213.021,0.2244210 1213.503,0.6859770 1213.985,0.9066100 1214.467,0.6925700 
1214.949,0.4881940 1215.431,0.2307360 1215.913,0.1417880 1216.395,0.3939310 
1216.877,0.6937280 1217.360,0.7884860 1217.842,0.7184640 1218.324,0.5340610 
1218.806,0.2248350 1219.288,0.4293760 1219.770,1.202088 1220.252,1.445047 
1220.734,0.9847850 1221.217,0.5094800 1221.699,0.3165360 1222.181,0.2801380 
1222.663,0.2901740 1223.145,0.3414500 1223.627,0.4326800 1224.109,0.5535140 
1224.591,0.7157730 1225.073,0.8764940 1225.556,0.9032680 1226.038,0.8127500 
1226.520,0.7552830 1227.002,0.7899420 1227.484,0.7798970 1227.966,0.5670470 
1228.448,0.3812370 1228.930,0.3319210 1229.412,0.3338970 1229.895,0.3071730 
1230.377,0.2618180 1230.859,0.2952360 1231.341,0.3752320 1231.823,0.5431030 
1232.305,0.8884710 1232.787,1.028188 1233.269,0.7106470 1233.752,0.4877060 
1234.234,0.5058860 1234.716,0.5739950 1235.198,0.5930240 1235.680,0.5892280 
1236.162,0.6718000 1236.644,0.7226280 1237.126,0.7049830 1237.609,0.5766750 
1238.091,0.5090820 1238.573,0.5145790 1239.055,0.5977730 1239.537,0.7609110 
1240.019,0.9100810 1240.501,0.9160620 1240.983,0.7972120 1241.465,0.5397410 
1241.948,0.2193470 1242.430,5.7937998E-02 1242.912,0.2643350 
1243.394,0.2960180 1243.876,0.1853460 1244.358,4.4369999E-02 
1244.840,9.0662003E-02 1245.322,0.2272420 1245.804,0.3626900 
1246.287,0.5008300 1246.769,0.7330400 1247.251,0.8731980 1247.733,0.7241790 
1248.215,0.5350260 1248.697,0.4388030 1249.179,0.4615710 1249.661,0.7036910 
1250.144,1.100642 1250.626,1.242066 1251.108,1.007143 1251.590,0.8555700 
1252.072,0.7797460 1252.554,0.7862860 1253.036,0.9518040 1253.518,1.021349 
1254.000,0.8291920 1254.483,0.5951600 1254.965,0.6095500 1255.447,0.7966680 
1255.929,0.8782380 1256.411,0.8562630 1256.893,0.7473790 1257.375,0.6387550 
1257.857,0.6192420 1258.339,0.6173040 1258.822,0.6691740 1259.304,0.7908650 
1259.786,0.8137700 1260.268,0.5645990 1260.750,0.3154570 1261.232,0.2912240 
1261.714,0.3980140 1262.196,0.6901360 1262.679,0.9521210 1263.161,0.8488450 
1263.643,0.5010150 1264.125,0.3927300 1264.607,0.6502820 1265.089,0.8053640 
1265.571,0.7289460 1266.053,0.5960570 1266.536,0.4197040 1267.018,0.2922780 
1267.500,0.2849680 1267.982,0.2803630 1268.464,0.1514580 
1268.946,8.0549996E-03 1269.428,4.0270001E-02 1269.910,0.1510310 
1270.392,0.0000000E+00 
##MOLFORM=Ca O4 S
##RESOLUTION=4
##PRESSURE=100
##TEMPERATURE=26.85
##END=
