##TITLE=1000613
##JCAMP-DX=4.24
##DATA TYPE=RAMAN SPECTRUM
##SOURCE REFERENCE=http://solsa.crystallography.net/rod/1000613.rod
##OWNER=PUBLIC DOMAIN
##XUNITS=1/CM
##YUNITS=ARBITRARY UNITS
##FIRSTX=106.9869
##LASTX=1286.244
##XFACTOR=1
##YFACTOR=1
##NPOINTS=2447
##FIRSTY=0.0000000E+00
##LASTY=0.0000000E+00
##XYPOINTS=(XY..XY)
106.9869,0.0000000E+00 107.4691,3.3310000E-02 107.9512,3.4660000E-02 
108.4333,0.3427310 108.9154,0.9097860 109.3975,1.840759 109.8796,3.163208 
110.3617,4.373894 110.8439,5.404709 111.3260,6.399578 111.8081,7.355190 
112.2902,8.275574 112.7723,9.218151 113.2544,10.27076 113.7366,11.57598 
114.2187,12.84806 114.7008,13.86173 115.1829,14.77751 115.6650,15.79290 
116.1471,16.99616 116.6293,18.33981 117.1114,19.73173 117.5935,21.26934 
118.0756,22.91234 118.5577,24.42077 119.0398,25.96888 119.5220,27.83939 
120.0041,30.20254 120.4862,32.65696 120.9683,34.81792 121.4504,36.36504 
121.9325,36.84432 122.4147,36.41251 122.8968,34.97829 123.3789,32.69009 
123.8610,28.78516 124.3431,24.30095 124.8252,20.14619 125.3074,16.55677 
125.7895,13.49909 126.2716,10.95438 126.7537,9.151814 127.2358,7.529934 
127.7179,5.731169 128.2001,3.995556 128.6822,2.647123 129.1643,1.939018 
129.6464,1.814894 130.1285,1.583614 130.6106,1.105345 131.0928,0.6456490 
131.5749,0.2604390 132.0570,5.3844001E-02 132.5391,0.3195210 
133.0212,0.5475650 133.5033,0.7246550 133.9855,0.9653950 134.4676,1.458458 
134.9497,1.854610 135.4318,1.914587 135.9139,1.634785 136.3960,1.225004 
136.8782,0.9287360 137.3603,0.7855030 137.8424,0.5182880 
138.3245,8.7299999E-03 138.8066,0.6070190 139.2887,1.210484 139.7709,1.777233 
140.2530,2.351814 140.7351,3.043819 141.2172,3.853601 141.6993,4.682148 
142.1814,5.521637 142.6636,6.347609 143.1457,7.061716 143.6278,7.543859 
144.1099,8.010956 144.5920,8.680206 145.0741,9.546883 145.5563,10.42153 
146.0384,11.15033 146.5205,11.72473 147.0026,12.21492 147.4847,12.32508 
147.9668,12.55729 148.4490,13.27929 148.9311,14.54137 149.4132,16.02670 
149.8953,17.21150 150.3774,17.78971 150.8595,18.72772 151.3417,20.25449 
151.8238,22.00624 152.3059,23.71043 152.7880,25.25021 153.2701,26.70049 
153.7522,28.22461 154.2344,29.81744 154.7165,31.49557 155.1986,33.20452 
155.6807,35.01546 156.1628,37.00221 156.6449,39.18908 157.1271,41.59418 
157.6092,44.32765 158.0913,47.71550 158.5734,51.02027 159.0555,54.23180 
159.5376,57.22769 160.0198,59.76545 160.5019,61.85987 160.9840,63.20087 
161.4661,63.19924 161.9482,62.17405 162.4303,59.62524 162.9125,54.77107 
163.3946,47.69036 163.8767,40.03024 164.3588,32.10220 164.8409,24.50336 
165.3230,18.03755 165.8052,12.95964 166.2873,9.009205 166.7694,6.126766 
167.2515,4.533566 167.7336,3.235397 168.2157,1.567539 168.6979,7.1198002E-02 
169.1800,1.148804 169.6621,1.310940 170.1442,0.8588710 170.6263,0.6481060 
171.1084,0.8550380 171.5906,1.033672 172.0727,1.084644 172.5548,1.015663 
173.0369,0.8421290 173.5190,0.5746040 174.0011,0.2102280 174.4833,0.2741320 
174.9654,1.023514 175.4475,1.763489 175.9296,2.316624 176.4117,2.817474 
176.8938,3.515419 177.3760,4.604477 177.8581,6.092430 178.3402,7.662216 
178.8223,8.957184 179.3044,10.64995 179.7865,12.98822 180.2687,15.94120 
180.7508,19.39458 181.2329,23.30442 181.7150,27.74829 182.1971,31.81848 
182.6792,35.69953 183.1614,39.12617 183.6435,41.95794 184.1256,44.17825 
184.6077,45.79782 185.0898,46.62265 185.5719,46.60196 186.0540,47.20573 
186.5362,48.64729 187.0183,50.61312 187.5004,52.79070 187.9825,55.13841 
188.4646,57.85851 188.9467,61.30999 189.4289,65.34737 189.9110,69.55130 
190.3931,73.66496 190.8752,77.93963 191.3573,82.87209 191.8394,88.63256 
192.3216,94.66184 192.8037,100.4536 193.2858,106.1627 193.7679,112.2111 
194.2500,118.6499 194.7321,125.5346 195.2143,133.1561 195.6964,141.4882 
196.1785,150.7319 196.6606,160.8814 197.1427,171.8366 197.6248,183.3472 
198.1070,195.5583 198.5891,208.3481 199.0712,220.6124 199.5533,233.7819 
200.0354,244.5435 200.5175,253.3617 200.9997,259.0225 201.4818,258.9253 
201.9639,250.0962 202.4460,232.3238 202.9281,215.0694 203.4102,196.1212 
203.8924,179.9841 204.3745,167.9887 204.8566,160.0337 205.3387,155.8155 
205.8208,155.2513 206.3029,158.6223 206.7851,163.2295 207.2672,168.8444 
207.7493,175.7253 208.2314,184.4485 208.7135,194.6539 209.1956,205.2682 
209.6778,215.2361 210.1599,224.2825 210.6420,234.8899 211.1241,247.3890 
211.6062,260.7562 212.0883,274.4717 212.5705,288.4964 213.0526,303.2962 
213.5347,319.6028 214.0168,337.6691 214.4989,354.1021 214.9810,369.1517 
215.4632,382.6118 215.9453,394.8627 216.4274,405.7680 216.9095,414.1024 
217.3916,419.3033 217.8737,420.6959 218.3559,416.6003 218.8380,406.7367 
219.3201,391.5093 219.8022,369.9327 220.2843,341.9493 220.7664,311.7014 
221.2486,281.1673 221.7307,250.7562 222.2128,223.3212 222.6949,199.2054 
223.1770,178.2422 223.6591,160.5621 224.1413,146.2373 224.6234,134.4698 
225.1055,125.5959 225.5876,118.9482 226.0697,113.7084 226.5518,109.9667 
227.0340,107.3778 227.5161,105.5197 227.9982,104.4037 228.4803,104.0566 
228.9624,104.8480 229.4445,106.3111 229.9267,107.9825 230.4088,109.9121 
230.8909,111.7738 231.3730,113.3842 231.8551,115.6807 232.3372,115.1616 
232.8194,109.9808 233.3015,101.6093 233.7836,91.11553 234.2657,78.34333 
234.7478,64.64756 235.2299,53.03667 235.7121,43.71630 236.1942,36.21306 
236.6763,30.45889 237.1584,26.04253 237.6405,22.63024 238.1227,20.12234 
238.6048,18.36143 239.0869,16.93853 239.5690,15.90654 240.0511,15.11594 
240.5332,14.45019 241.0154,14.03545 241.4975,14.03798 241.9796,14.52727 
242.4617,15.35062 242.9438,16.11595 243.4259,16.62132 243.9081,17.37539 
244.3902,18.46314 244.8723,19.78519 245.3544,21.24627 245.8365,22.81956 
246.3186,24.52755 246.8007,26.45074 247.2829,28.85886 247.7650,31.06162 
248.2471,32.89264 248.7292,34.61201 249.2113,36.41684 249.6934,38.37492 
250.1756,40.47279 250.6577,42.71026 251.1398,45.36467 251.6219,47.74725 
252.1040,49.36528 252.5861,50.97580 253.0683,53.31880 253.5504,56.56304 
254.0325,60.24738 254.5146,63.62725 254.9967,66.35867 255.4788,69.45086 
255.9610,73.05445 256.4431,76.87070 256.9252,80.67382 257.4073,84.42232 
257.8894,88.19492 258.3716,92.08471 258.8537,96.08599 259.3358,100.2684 
259.8179,104.6751 260.3000,109.2622 260.7821,114.1265 261.2643,119.2658 
261.7464,124.3459 262.2285,129.1256 262.7106,133.6577 263.1927,137.1971 
263.6748,139.5471 264.1570,140.9949 264.6391,141.9869 265.1212,142.5260 
265.6033,141.8241 266.0854,139.0172 266.5675,133.9111 267.0497,128.2393 
267.5318,121.8626 268.0139,115.0795 268.4960,108.0161 268.9781,100.7159 
269.4602,93.34451 269.9424,85.92764 270.4245,78.55578 270.9066,71.58320 
271.3887,64.78173 271.8708,58.54265 272.3529,53.33446 272.8351,49.09299 
273.3172,45.18035 273.7993,41.16221 274.2814,37.22709 274.7635,33.80441 
275.2456,31.03086 275.7278,28.64950 276.2099,26.67115 276.6920,25.03717 
277.1741,23.21824 277.6562,20.77218 278.1383,18.13429 278.6204,16.18769 
279.1025,15.10785 279.5847,14.29404 280.0668,13.36991 280.5489,12.36230 
281.0310,11.47471 281.5131,10.85481 281.9952,10.31026 282.4774,9.547901 
282.9595,8.526842 283.4416,7.534437 283.9237,6.765240 284.4058,6.176500 
284.8879,5.573002 285.3701,4.882956 285.8522,4.208054 286.3343,3.628813 
286.8164,3.142227 287.2985,2.759697 287.7806,2.552984 288.2628,2.463047 
288.7449,2.300745 289.2270,2.029200 289.7091,1.696653 290.1912,1.302366 
290.6733,0.8719860 291.1555,0.4912360 291.6376,0.2036820 
292.1197,3.4709999E-03 292.6018,0.1703010 293.0839,0.3087100 
293.5660,0.3737300 294.0482,0.2367230 294.5303,1.4231000E-02 
295.0124,6.4699002E-02 295.4945,0.1817040 295.9766,0.5736390 
296.4587,0.7532710 296.9409,0.6417180 297.4230,0.5902400 297.9051,0.8642880 
298.3872,1.281189 298.8693,1.651512 299.3514,1.949665 299.8336,2.133244 
300.3157,2.108286 300.7978,1.839230 301.2799,1.577055 301.7620,1.394361 
302.2441,1.276302 302.7263,1.239660 303.2084,1.303171 303.6905,1.355373 
304.1726,1.245611 304.6547,0.9638180 305.1368,0.7684590 305.6190,0.8121320 
306.1011,0.8919540 306.5832,0.8297880 307.0653,0.6191180 307.5474,0.4182340 
308.0295,0.3548320 308.5117,0.4203700 308.9938,0.5353430 309.4759,0.8173560 
309.9580,0.9833890 310.4401,0.7525480 310.9222,0.2271750 311.4044,0.2020870 
311.8865,0.1808300 312.3686,0.1665330 312.8507,0.2651230 
313.3328,5.2060999E-02 313.8149,0.3435820 314.2971,0.2963280 
314.7792,6.6404000E-02 315.2613,5.3631000E-02 315.7434,0.1163810 
316.2255,0.4466040 316.7076,0.6608920 317.1898,0.7389640 317.6719,0.7572750 
318.1540,0.7279300 318.6361,0.6675950 319.1182,0.5668870 319.6003,0.3905090 
320.0825,0.2615510 320.5646,0.4034120 321.0467,0.8738840 321.5288,1.243937 
322.0109,1.197464 322.4930,1.108385 322.9752,1.345633 323.4573,1.974464 
323.9394,2.563610 324.4215,2.575327 324.9036,2.027132 325.3857,1.814938 
325.8679,2.262419 326.3500,2.944008 326.8321,3.543633 327.3142,4.075256 
327.7963,4.679401 328.2784,5.546894 328.7606,6.594814 329.2427,7.411715 
329.7248,7.892202 330.2069,8.275251 330.6890,8.733938 331.1711,9.214319 
331.6533,9.596994 332.1354,9.791643 332.6175,9.873604 333.0996,9.918617 
333.5817,9.821247 334.0638,10.03364 334.5460,11.03871 335.0281,12.39420 
335.5102,13.63336 335.9923,14.63324 336.4744,15.50945 336.9565,16.35587 
337.4387,17.16069 337.9208,18.06943 338.4029,19.00970 338.8850,20.19048 
339.3671,21.86306 339.8492,24.08142 340.3314,26.40497 340.8135,28.36432 
341.2956,30.08571 341.7777,32.26386 342.2598,35.06794 342.7419,38.32964 
343.2241,41.81251 343.7062,45.54670 344.1883,49.68811 344.6704,54.62653 
345.1525,59.97649 345.6346,65.20650 346.1168,70.64752 346.5989,74.79414 
347.0810,76.07069 347.5631,75.30845 348.0452,73.53720 348.5273,70.07684 
349.0095,66.56101 349.4916,64.63816 349.9737,64.31674 350.4558,65.45590 
350.9379,68.33418 351.4200,72.57693 351.9022,77.40099 352.3843,82.78416 
352.8664,88.67829 353.3485,95.27342 353.8306,102.3807 354.3127,109.3403 
354.7949,116.1099 355.2770,122.5074 355.7591,128.2307 356.2412,133.2785 
356.7233,138.3374 357.2054,143.1497 357.6876,148.2946 358.1697,154.8503 
358.6518,163.0737 359.1339,172.0154 359.6160,181.2965 360.0981,190.7167 
360.5803,198.9047 361.0624,205.0311 361.5445,210.3271 362.0266,215.5720 
362.5087,220.8205 362.9908,226.0746 363.4730,231.1884 363.9551,236.3921 
364.4372,242.4041 364.9193,249.2749 365.4014,256.7385 365.8835,264.8448 
366.3657,273.3954 366.8478,282.2611 367.3299,291.4919 367.8120,300.4795 
368.2941,308.6505 368.7762,316.6098 369.2584,321.4017 369.7405,323.1220 
370.2226,321.1168 370.7047,314.4984 371.1868,303.2158 371.6689,288.2866 
372.1511,270.0297 372.6332,248.1986 373.1153,226.8023 373.5974,204.7649 
374.0795,184.0268 374.5616,164.9575 375.0438,147.8306 375.5259,133.0056 
376.0080,120.8182 376.4901,110.9953 376.9722,102.7939 377.4543,96.90652 
377.9365,91.70364 378.4186,86.98013 378.9007,82.93305 379.3828,79.91618 
379.8649,77.97711 380.3470,76.65945 380.8292,75.32024 381.3113,73.74257 
381.7934,72.85927 382.2755,72.97552 382.7576,73.41757 383.2397,73.70241 
383.7219,73.93124 384.2040,74.57346 384.6861,76.03754 385.1682,78.27570 
385.6503,80.40446 386.1324,82.15459 386.6146,84.09010 387.0967,86.10658 
387.5788,88.40822 388.0609,91.39866 388.5430,95.23317 389.0251,99.42811 
389.5073,102.9785 389.9894,105.4007 390.4715,108.2145 390.9536,111.8769 
391.4357,115.6059 391.9178,119.1406 392.4000,122.3179 392.8821,124.9086 
393.3642,126.9011 393.8463,128.3306 394.3284,127.8582 394.8105,124.8686 
395.2927,120.4512 395.7748,114.7754 396.2569,108.0506 396.7390,100.3916 
397.2211,91.67890 397.7032,82.44782 398.1854,73.89986 398.6675,66.02100 
399.1496,58.79064 399.6317,52.17062 400.1138,46.17506 400.5959,40.92380 
401.0780,36.43871 401.5602,32.53982 402.0423,29.14662 402.5244,26.25218 
403.0065,23.73037 403.4886,21.64729 403.9707,19.86431 404.4529,18.32164 
404.9350,16.97275 405.4171,15.67645 405.8992,14.28428 406.3813,12.96331 
406.8634,12.01832 407.3456,11.48291 407.8277,11.01023 408.3098,10.48396 
408.7919,9.881218 409.2740,9.148911 409.7561,8.205204 410.2383,7.334522 
410.7204,6.704527 411.2025,6.279232 411.6846,5.972040 412.1667,5.791964 
412.6488,5.631901 413.1310,5.321863 413.6131,4.864031 414.0952,4.522577 
414.5773,4.426039 415.0594,4.409018 415.5415,4.331522 416.0237,4.187248 
416.5058,4.022842 416.9879,3.872528 417.4700,3.725491 417.9521,3.522860 
418.4342,3.251652 418.9164,2.951773 419.3985,2.576887 419.8806,2.196117 
420.3627,1.927322 420.8448,1.806282 421.3269,1.752123 421.8091,1.641403 
422.2912,1.431017 422.7733,1.293301 423.2554,1.323378 423.7375,1.338175 
424.2196,1.198999 424.7018,0.9405160 425.1839,0.7009050 425.6660,0.5831280 
426.1481,0.5668410 426.6302,0.5082470 427.1123,0.3079190 427.5945,0.1911090 
428.0766,0.2639710 428.5587,0.3922250 429.0408,0.4550270 429.5229,0.4117600 
430.0050,0.2775540 430.4872,3.8171999E-02 430.9693,0.3609750 
431.4514,0.6327130 431.9335,0.6344280 432.4156,0.6246780 432.8977,0.7535970 
433.3799,0.9581150 433.8620,1.056198 434.3441,0.8885860 434.8262,0.5735870 
435.3083,0.4717040 435.7904,0.6585660 436.2726,0.8505760 436.7547,0.9645920 
437.2368,1.028921 437.7189,1.053118 438.2010,1.036467 438.6831,1.016195 
439.1653,1.043734 439.6474,1.102604 440.1295,1.100758 440.6116,1.016016 
441.0937,0.8829150 441.5758,0.6766360 442.0580,0.4360890 442.5401,0.2971760 
443.0222,0.3892500 443.5043,0.5373190 443.9864,0.5650390 444.4685,0.4814930 
444.9507,0.3782980 445.4328,0.3016640 445.9149,0.2267610 
446.3970,8.7816000E-02 446.8791,0.1461320 447.3612,0.3437250 
447.8434,0.4126260 448.3255,0.4521750 448.8076,0.5982890 449.2897,0.8705220 
449.7718,1.182827 450.2539,1.481464 450.7361,1.773273 451.2182,1.832678 
451.7003,1.278095 452.1824,0.9418560 452.6645,1.279980 453.1466,2.007662 
453.6288,2.630033 454.1109,2.931334 454.5930,3.068935 455.0751,3.360329 
455.5572,3.883541 456.0393,4.416334 456.5215,4.958792 457.0036,5.508369 
457.4857,6.075439 457.9678,6.650919 458.4499,7.201912 458.9320,7.671640 
459.4142,8.106937 459.8963,8.836178 460.3784,10.17392 460.8605,11.23244 
461.3426,11.66004 461.8247,11.80673 462.3069,12.04320 462.7890,12.46135 
463.2711,12.79324 463.7532,12.76736 464.2353,12.39570 464.7174,11.81965 
465.1996,10.97778 465.6817,10.04945 466.1638,9.140512 466.6459,8.247978 
467.1280,7.357838 467.6101,6.384901 468.0923,5.488945 468.5744,4.902420 
469.0565,4.593596 469.5386,4.270716 470.0207,3.774481 470.5028,3.263296 
470.9850,3.078627 471.4671,3.291304 471.9492,3.360018 472.4313,3.009560 
472.9134,2.528982 473.3955,2.218195 473.8777,2.103857 474.3598,2.068069 
474.8419,2.021704 475.3240,1.974073 475.8061,2.020041 476.2882,2.331604 
476.7704,2.513828 477.2525,2.437428 477.7346,2.210434 478.2167,1.928558 
478.6988,1.629868 479.1809,1.359697 479.6631,1.168861 480.1452,1.057127 
480.6273,1.033827 481.1094,1.177965 481.5915,1.331602 482.0736,1.435291 
482.5558,1.513514 483.0379,1.621891 483.5200,1.793703 484.0021,1.984179 
484.4842,2.035046 484.9663,1.840879 485.4485,1.981289 485.9306,2.810368 
486.4127,3.830992 486.8948,4.796255 487.3769,5.674688 487.8590,6.400345 
488.3412,6.789253 488.8233,7.020308 489.3054,7.523016 489.7875,8.346680 
490.2696,9.125587 490.7517,9.601273 491.2339,9.933531 491.7160,10.47210 
492.1981,11.28418 492.6802,12.16902 493.1623,13.03867 493.6444,13.88378 
494.1266,14.71561 494.6087,15.54473 495.0908,16.35581 495.5729,17.11400 
496.0550,17.82507 496.5371,18.75149 497.0193,20.12706 497.5014,21.40178 
497.9835,22.42583 498.4656,23.25633 498.9477,23.95424 499.4298,24.55064 
499.9120,25.10519 500.3941,25.73051 500.8762,26.53775 501.3583,26.90611 
501.8404,26.76817 502.3225,26.27835 502.8047,25.36561 503.2868,24.14886 
503.7689,22.82267 504.2510,21.46556 504.7331,20.08375 505.2152,18.67566 
505.6974,17.22675 506.1795,15.81884 506.6616,14.46015 507.1437,13.16706 
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509.5543,8.426563 510.0364,8.299252 510.5185,8.518604 511.0006,8.678034 
511.4828,8.521837 511.9649,8.252466 512.4470,8.317083 512.9291,8.788912 
513.4112,9.268967 513.8933,9.479048 514.3754,9.753296 514.8575,10.51927 
515.3397,11.76228 515.8218,13.06099 516.3039,14.09662 516.7860,14.92575 
517.2681,15.94195 517.7502,17.25522 518.2324,18.62376 518.7145,20.00769 
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521.1251,28.59340 521.6072,30.91521 522.0893,33.15438 522.5714,35.29930 
523.0535,37.38444 523.5356,39.28098 524.0178,41.19667 524.4999,43.31822 
524.9820,45.68088 525.4641,48.42422 525.9462,51.83416 526.4283,55.76678 
526.9105,59.68081 527.3926,63.46096 527.8747,67.26909 528.3568,71.20087 
528.8389,75.27106 529.3210,79.58099 529.8032,84.09279 530.2853,88.88335 
530.7674,94.31300 531.2495,99.98029 531.7316,105.2441 532.2137,109.9462 
532.6959,113.8048 533.1780,116.4757 533.6601,117.9319 534.1422,118.2647 
534.6243,117.8091 535.1064,116.0767 535.5886,112.6799 536.0707,107.9554 
536.5528,102.2451 537.0349,95.74522 537.5170,88.73905 537.9991,81.69244 
538.4813,74.56117 538.9634,67.65408 539.4455,60.76026 539.9276,54.41642 
540.4097,48.98836 540.8918,44.29784 541.3740,39.97479 541.8561,35.85735 
542.3382,32.09104 542.8203,28.99318 543.3024,26.50528 543.7845,24.04342 
544.2667,21.40639 544.7488,18.88397 545.2309,16.77694 545.7130,15.05654 
546.1951,13.63907 546.6772,12.68711 547.1594,11.87474 547.6415,11.05165 
548.1236,10.20940 548.6057,9.232212 549.0878,8.062748 549.5699,7.018951 
550.0521,6.696791 550.5342,7.533543 551.0163,7.714211 551.4984,6.636946 
551.9805,5.645935 552.4626,5.309582 552.9448,5.478209 553.4269,5.818905 
553.9090,6.192698 554.3911,6.621319 554.8732,7.034437 555.3553,7.341719 
555.8375,8.150036 556.3196,9.641922 556.8017,11.60302 557.2838,13.95197 
557.7659,16.61333 558.2480,19.37888 558.7302,22.22553 559.2123,25.07292 
559.6944,27.96186 560.1765,30.81804 560.6586,33.17786 561.1407,34.82156 
561.6229,36.14472 562.1050,37.57339 562.5871,39.09198 563.0692,41.01868 
563.5513,43.22871 564.0334,45.95001 564.5156,49.32843 564.9977,53.29155 
565.4798,57.71450 565.9619,62.53765 566.4440,67.82986 566.9261,73.64169 
567.4083,79.85707 567.8904,87.05595 568.3725,95.47604 568.8546,104.7239 
569.3367,114.3313 569.8188,124.7827 570.3010,136.8630 570.7831,151.0683 
571.2652,166.4858 571.7473,183.0312 572.2294,200.3049 572.7115,216.1075 
573.1937,230.9848 573.6758,241.9971 574.1579,247.6272 574.6400,247.2995 
575.1221,238.5396 575.6042,217.3292 576.0864,191.9537 576.5685,163.4840 
577.0506,134.5407 577.5327,109.2468 578.0148,88.67255 578.4969,72.00817 
578.9791,58.59325 579.4612,48.49478 579.9433,39.96548 580.4254,33.41993 
580.9075,28.04141 581.3896,23.97832 581.8718,20.81087 582.3539,18.21163 
582.8360,16.05283 583.3181,14.23116 583.8002,12.71575 584.2823,11.46612 
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586.6929,6.570383 587.1750,6.225651 587.6572,5.793711 588.1393,5.362896 
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620.4411,0.1173270 620.9232,4.0576998E-02 621.4053,0.2616670 
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627.6729,0.9755040 628.1550,1.412121 628.6371,1.795264 629.1192,1.984047 
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633.4583,3.631715 633.9404,3.869709 634.4225,3.999215 634.9046,4.127398 
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641.1721,3.562362 641.6542,3.231686 642.1364,3.134144 642.6185,3.247421 
643.1006,3.264189 643.5827,3.137322 644.0648,3.018497 644.5469,2.951204 
645.0291,2.914972 645.5112,2.917648 645.9933,2.958279 646.4754,2.948083 
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652.7429,1.983486 653.2250,2.087112 653.7072,2.121552 654.1893,2.052881 
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712.0432,8.5008003E-02 712.5253,6.3137002E-02 713.0074,0.1988470 
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732.7742,0.5566880 733.2563,0.3885450 733.7385,0.4666080 734.2206,0.6518930 
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740.4881,0.8980660 740.9702,1.043050 741.4523,1.133878 741.9344,1.143978 
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750.1304,1.119886 750.6125,1.139685 751.0947,1.070851 751.5768,0.9344970 
752.0589,0.7513780 752.5410,0.4753740 753.0231,0.3744800 753.5052,0.6341910 
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755.9158,7.9207003E-02 756.3979,4.6406999E-02 756.8801,0.3248680 
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759.2906,0.4622960 759.7728,0.6418120 760.2549,0.6905570 760.7370,0.6423750 
761.2191,0.6083000 761.7012,0.5716360 762.1833,0.5303860 762.6655,0.5076820 
763.1476,0.4696890 763.6297,0.3193500 764.1118,0.1384530 764.5939,0.1877220 
765.0760,0.6900940 765.5582,1.075343 766.0403,0.9213370 766.5224,0.5910590 
767.0045,0.5296790 767.4866,0.7219430 767.9688,0.8157630 768.4509,0.6108710 
768.9330,0.3257750 769.4151,0.3180300 769.8972,0.5985040 770.3793,0.6906620 
770.8615,0.5301670 771.3436,0.3421100 771.8257,0.1847110 
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775.6826,1.002272 776.1647,0.9412510 776.6469,0.8407660 777.1290,0.7800790 
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781.4680,0.7371520 781.9501,0.7463180 782.4323,1.102894 782.9144,1.295851 
783.3965,1.189021 783.8786,1.007159 784.3607,0.8250130 784.8428,0.6932830 
785.3250,0.6662380 785.8071,0.7563610 786.2892,0.8828500 786.7713,1.016596 
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798.8242,1.065446 799.3063,1.082279 799.7885,1.125605 800.2706,1.086690 
800.7527,0.9347110 801.2348,0.7939040 801.7169,0.7172400 802.1990,0.6727450 
802.6812,0.6257390 803.1633,0.5772840 803.6454,0.5025880 804.1275,0.2970910 
804.6096,0.1932890 805.0917,0.3829190 805.5739,0.6481230 806.0560,0.7746880 
806.5381,0.7456220 807.0202,0.6348970 807.5023,0.4656230 807.9844,0.3008020 
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810.3950,0.3126980 810.8771,0.3529840 811.3593,0.4281440 811.8414,0.6066250 
812.3235,0.9855460 812.8056,1.100628 813.2877,0.6305550 813.7698,0.2950400 
814.2520,0.3949260 814.7341,0.6532900 815.2162,0.7983750 815.6983,0.8049270 
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818.1089,0.1381830 818.5910,0.2024930 819.0731,2.3491001E-02 
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821.4837,0.2783250 821.9658,8.7236002E-02 822.4479,3.8130999E-02 
822.9301,7.5338997E-02 823.4122,4.8574999E-02 823.8943,0.2112180 
824.3764,0.1270170 824.8585,0.3315670 825.3406,0.3555880 825.8228,0.6972300 
826.3049,1.441454 826.7870,1.162189 827.2691,0.5025450 827.7512,8.6999997E-02 
828.2333,1.0901000E-02 828.7155,2.2801001E-02 829.1976,0.1521210 
829.6797,0.2480250 830.1618,0.1219670 830.6439,0.1374650 831.1260,0.3308860 
831.6082,0.4344230 832.0903,0.4901580 832.5724,0.5209710 833.0545,0.5232620 
833.5366,0.5001870 834.0187,0.4639410 834.5009,0.2947890 834.9830,0.1354920 
835.4651,0.4381590 835.9472,0.4009120 836.4293,0.2208420 
836.9114,8.6497001E-02 837.3936,9.3500002E-04 837.8757,4.4000000E-05 
838.3578,0.2489390 838.8399,0.3834870 839.3220,0.1227650 839.8041,0.2113570 
840.2863,0.2476910 840.7684,5.0115999E-02 841.2505,4.8604999E-02 
841.7326,0.1247440 842.2147,0.3634570 842.6968,0.4190860 843.1790,0.3445540 
843.6611,0.2991230 844.1432,0.2867150 844.6253,0.1993800 
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846.5538,0.2405520 847.0359,0.1283670 847.5180,6.9917001E-02 
848.0001,0.1747190 848.4822,3.8593002E-02 848.9644,9.6580997E-02 
849.4465,1.6052000E-02 849.9286,0.1990920 850.4107,0.2975270 
850.8928,0.2001590 851.3749,7.2645001E-02 851.8571,5.8350001E-02 
852.3392,0.1691110 852.8213,0.2224820 853.3034,0.2451020 853.7855,0.2933030 
854.2676,0.3835680 854.7498,0.4824690 855.2319,0.5808240 855.7140,0.6535690 
856.1961,0.6175650 856.6782,0.4913030 857.1603,0.4166670 857.6425,0.4324780 
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860.0530,0.5511030 860.5352,0.6581570 861.0173,0.2043320 861.4994,0.1817420 
861.9815,0.1367680 862.4636,8.6635001E-02 862.9457,0.1392580 
863.4279,2.4115000E-02 863.9100,6.3836001E-02 864.3921,0.2487350 
864.8742,0.5430300 865.3563,0.6124900 865.8384,0.5585030 866.3206,0.4547890 
866.8027,0.3547070 867.2848,0.3820610 867.7669,0.6442790 868.2490,0.9151530 
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870.6596,0.3787880 871.1417,0.5445340 871.6238,0.7423380 872.1060,0.8641210 
872.5881,0.9098690 873.0702,1.044256 873.5523,1.364135 874.0344,1.512438 
874.5165,1.236773 874.9987,0.9652290 875.4808,1.132771 875.9629,1.562599 
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878.3735,1.475756 878.8556,1.627333 879.3377,1.847459 879.8198,1.928498 
880.3019,1.837067 880.7841,1.750717 881.2662,1.816701 881.7483,1.938368 
882.2304,1.990751 882.7125,1.975356 883.1946,1.948598 883.6768,1.960496 
884.1589,2.081522 884.6410,2.388448 885.1231,2.756901 885.6052,2.886449 
886.0873,2.762983 886.5695,2.908005 887.0516,3.421833 887.5337,3.829868 
888.0158,3.920563 888.4979,3.864096 888.9800,3.863887 889.4622,3.925296 
889.9443,4.006138 890.4264,4.143497 890.9085,4.251861 891.3906,4.188217 
891.8727,4.228760 892.3549,4.647142 892.8370,5.285095 893.3191,5.809381 
893.8012,6.159774 894.2833,6.343920 894.7654,6.115356 895.2476,5.958092 
895.7297,6.382151 896.2118,7.130735 896.6939,7.822616 897.1760,8.339436 
897.6581,8.573787 898.1403,8.399250 898.6224,8.151817 899.1045,8.429525 
899.5866,9.092888 900.0687,9.509139 900.5508,9.640694 901.0330,9.956461 
901.5151,10.68700 901.9972,11.63933 902.4793,12.56923 902.9614,13.48120 
903.4435,14.11362 903.9257,14.25967 904.4078,14.68570 904.8899,15.69230 
905.3720,16.83643 905.8541,17.72343 906.3362,18.49397 906.8184,19.54582 
907.3005,21.02827 907.7826,22.41760 908.2647,23.70283 908.7468,24.83736 
909.2289,25.59538 909.7111,26.29951 910.1932,27.36147 910.6753,28.80832 
911.1574,30.36007 911.6395,31.73703 912.1216,33.38949 912.6038,35.97595 
913.0859,38.89209 913.5680,41.17614 914.0501,42.94844 914.5322,44.99453 
915.0143,47.65746 915.4965,50.61812 915.9786,53.37043 916.4607,56.14840 
916.9428,59.95990 917.4249,64.72606 917.9070,69.11948 918.3892,72.74329 
918.8713,76.81049 919.3534,82.26928 919.8355,88.86560 920.3176,95.73372 
920.7997,102.8931 921.2819,110.4994 921.7640,118.8275 922.2461,127.0413 
922.7282,134.4331 923.2103,141.8248 923.6924,150.3084 924.1746,159.8217 
924.6567,169.1742 925.1388,177.6698 925.6209,186.9026 926.1030,197.6797 
926.5851,208.7557 927.0673,219.0168 927.5494,228.9901 928.0315,239.8437 
928.5136,251.8024 928.9957,263.9517 929.4778,275.9266 929.9600,287.7518 
930.4421,299.7365 930.9242,311.5902 931.4063,323.4688 931.8884,334.9466 
932.3705,344.4713 932.8527,351.2467 933.3348,355.6230 933.8169,358.1668 
934.2990,358.6888 934.7811,356.7487 935.2632,352.2603 935.7454,344.6739 
936.2275,333.8114 936.7096,320.6968 937.1917,306.1157 937.6738,290.4128 
938.1559,274.5049 938.6381,258.3073 939.1202,243.1452 939.6023,229.1349 
940.0844,216.4201 940.5665,204.8771 941.0486,194.9293 941.5308,187.3336 
942.0129,182.1892 942.4950,178.2556 942.9771,175.7057 943.4592,174.1150 
943.9413,173.6613 944.4235,173.9243 944.9056,174.7922 945.3877,176.1629 
945.8698,177.9769 946.3519,180.7009 946.8340,181.8282 947.3162,180.7550 
947.7983,177.8975 948.2804,173.5609 948.7625,167.4937 949.2446,158.8860 
949.7267,148.1632 950.2089,136.8824 950.6910,125.4165 951.1731,114.4669 
951.6552,104.6435 952.1373,95.58512 952.6194,86.74973 953.1016,78.35020 
953.5837,70.89156 954.0658,64.51247 954.5479,58.86401 955.0300,53.63120 
955.5121,48.94582 955.9943,45.15702 956.4763,42.12138 956.9584,39.29180 
957.4406,36.58989 957.9227,34.04510 958.4048,31.65750 958.8869,29.44620 
959.3690,27.44557 959.8511,25.64408 960.3333,23.93131 960.8154,22.29658 
961.2975,20.89380 961.7796,19.80033 962.2617,18.80718 962.7438,17.80983 
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967.0829,10.83972 967.5650,9.578476 968.0471,8.747153 968.5292,8.577254 
969.0114,8.377210 969.4935,8.066546 969.9756,7.656531 970.4577,7.042850 
970.9398,6.418888 971.4219,5.986212 971.9041,5.738035 972.3862,5.552963 
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989.7424,0.2469710 990.2245,0.1612440 990.7066,5.8366001E-02 
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1000.349,0.3261900 1000.831,3.6267001E-02 1001.313,0.1516840 
1001.795,0.2810340 1002.277,0.1606760 1002.760,0.4420140 
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1004.688,5.3528000E-02 1005.170,5.3530000E-03 1005.652,0.3494870 
1006.134,0.4797150 1006.616,0.2553210 1007.099,0.5038620 
1007.581,8.4562004E-02 1008.063,6.6789001E-02 1008.545,0.5389890 
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1013.848,3.1392001E-02 1014.330,0.1011660 1014.812,0.4983070 
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1021.080,0.3257780 1021.562,0.4304140 1022.044,0.5580360 1022.526,0.6914120 
1023.008,0.5683440 1023.491,0.1620880 1023.973,1.5471000E-02 
1024.455,0.2762420 1024.937,0.6213670 1025.419,0.5151610 
1025.901,8.1974000E-02 1026.383,8.0564000E-02 1026.865,5.0863001E-02 
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1035.543,0.3935210 1036.026,0.3929160 1036.508,0.1180080 
1036.990,5.3915001E-02 1037.472,0.1273650 1037.954,0.4246960 
1038.436,0.5161640 1038.918,0.4107600 1039.400,0.3761350 1039.883,0.4126320 
1040.365,0.5223640 1040.847,0.7710020 1041.329,1.006001 1041.811,1.173478 
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1048.078,3.248526 1048.561,3.352262 1049.043,3.515553 1049.525,3.838825 
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1051.935,5.383850 1052.418,5.902562 1052.900,5.985696 1053.382,6.033361 
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1057.721,7.074071 1058.203,6.707934 1058.685,6.314611 1059.167,5.977840 
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1065.435,1.696717 1065.917,1.594754 1066.399,1.467290 1066.881,1.191294 
1067.363,0.9246700 1067.845,0.7100640 1068.327,0.5875990 1068.810,0.6617010 
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1071.220,1.045616 1071.702,1.079576 1072.184,0.8506540 1072.667,0.6383680 
1073.149,0.8443860 1073.631,1.305377 1074.113,1.519627 1074.595,1.336925 
1075.077,1.141605 1075.559,1.073697 1076.041,1.079327 1076.523,1.131678 
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1078.934,1.965677 1079.416,2.124825 1079.898,2.637335 1080.380,3.068437 
1080.862,3.071291 1081.344,3.000884 1081.827,3.190288 1082.309,3.559196 
1082.791,3.840714 1083.273,3.997953 1083.755,4.252808 1084.237,4.877354 
1084.719,5.383965 1085.201,5.278355 1085.684,5.185250 1086.166,5.747847 
1086.648,6.600401 1087.130,7.143983 1087.612,7.316435 1088.094,7.427773 
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1098.219,11.74498 1098.701,12.06953 1099.183,11.74675 1099.665,11.27863 
1100.147,11.14405 1100.629,11.22250 1101.111,11.13354 1101.593,10.78795 
1102.076,10.59804 1102.558,10.80448 1103.040,10.99984 1103.522,11.08874 
1104.004,11.08478 1104.486,11.01266 1104.968,10.84837 1105.450,10.47370 
1105.932,9.897821 1106.415,9.584361 1106.897,9.849553 1107.379,9.975724 
1107.861,9.715219 1108.343,9.460267 1108.825,9.453620 1109.307,9.498921 
1109.789,9.336266 1110.271,8.994634 1110.754,8.738965 1111.236,8.668420 
1111.718,8.541466 1112.200,8.291465 1112.682,8.037416 1113.164,7.793323 
1113.646,7.584744 1114.128,7.448488 1114.611,7.365456 1115.093,7.277110 
1115.575,7.181379 1116.057,7.077119 1116.539,6.972524 1117.021,6.838285 
1117.503,6.626227 1117.985,6.448567 1118.468,6.386996 1118.950,6.362726 
1119.432,6.256008 1119.914,6.060873 1120.396,5.861530 1120.878,5.615024 
1121.360,5.470175 1121.842,5.532301 1122.324,5.529588 1122.807,5.302054 
1123.289,4.982453 1123.771,4.719456 1124.253,4.515622 1124.735,4.387450 
1125.217,4.339091 1125.699,4.374333 1126.181,4.560873 1126.663,4.602483 
1127.146,4.354774 1127.628,4.040516 1128.110,3.856459 1128.592,3.773455 
1129.074,3.726368 1129.556,3.730380 1130.038,3.583515 1130.520,3.250459 
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1132.931,2.531143 1133.413,2.395011 1133.895,2.377863 1134.377,2.316299 
1134.859,2.211500 1135.342,2.112785 1135.824,2.026934 1136.306,1.964013 
1136.788,1.929101 1137.270,1.905102 1137.752,1.887675 1138.234,1.839938 
1138.716,1.609717 1139.198,1.268334 1139.681,1.152022 1140.163,1.243711 
1140.645,1.346792 1141.127,1.394210 1141.609,1.317257 1142.091,1.053673 
1142.573,0.7484120 1143.055,0.5964160 1143.538,0.5539200 1144.020,0.5629700 
1144.502,0.5998740 1144.984,0.6113230 1145.466,0.5932810 1145.948,0.5801360 
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1158.001,5.5062000E-02 1158.483,0.1003200 1158.965,0.1021220 
1159.447,7.1608000E-02 1159.930,2.1755001E-02 1160.412,4.5807999E-02 
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1162.822,0.4344630 1163.304,7.7409998E-02 1163.786,0.2985710 
1164.269,0.2966310 1164.751,4.4890001E-02 1165.233,8.0400001E-04 
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1182.107,0.5690250 1182.589,0.3061900 1183.071,0.1139400 
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1185.000,0.4269370 1185.482,0.5401050 1185.964,0.6112180 1186.446,0.5911280 
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1190.785,0.9124330 1191.267,1.040433 1191.749,1.099797 1192.231,1.087594 
1192.714,0.9828540 1193.196,0.7231480 1193.678,0.6211110 1194.160,0.7136010 
1194.642,0.8734760 1195.124,1.124421 1195.606,1.290738 1196.088,1.248347 
1196.570,1.130468 1197.052,1.120971 1197.535,1.200538 1198.017,1.298145 
1198.499,1.410945 1198.981,1.380180 1199.463,1.206289 1199.945,1.169299 
1200.427,1.342433 1200.909,1.476150 1201.392,1.389591 1201.874,1.255905 
1202.356,1.373852 1202.838,1.598181 1203.320,1.578617 1203.802,1.412477 
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1206.213,1.444853 1206.695,1.511738 1207.177,1.531852 1207.659,1.415959 
1208.141,1.306735 1208.623,1.371924 1209.105,1.488888 1209.588,1.496506 
1210.070,1.409828 1210.552,1.325278 1211.034,1.260849 1211.516,1.204523 
1211.998,1.055881 1212.480,1.060802 1212.962,1.500551 1213.444,1.847738 
1213.927,1.703051 1214.409,1.423173 1214.891,1.393038 1215.373,1.559293 
1215.855,1.695645 1216.337,1.827199 1216.819,1.796432 1217.301,1.546482 
1217.784,1.364864 1218.266,1.310528 1218.748,1.333566 1219.230,1.424088 
1219.712,1.487268 1220.194,1.375917 1220.676,1.168880 1221.158,1.141278 
1221.641,1.235687 1222.123,1.249877 1222.605,1.204967 1223.087,1.211308 
1223.569,1.266561 1224.051,1.253101 1224.533,1.112484 1225.015,0.9314630 
1225.497,0.7481470 1225.979,0.6069150 1226.462,0.5772810 1226.944,0.6111730 
1227.426,0.6843660 1227.908,0.7551730 1228.390,0.7256600 1228.872,0.6064450 
1229.354,0.5763020 1229.836,0.7241930 1230.319,0.8227820 1230.801,0.7806460 
1231.283,0.6512640 1231.765,0.4743350 1232.247,0.3030480 1232.729,0.1739390 
1233.211,9.2294998E-02 1233.693,9.0747997E-02 1234.176,0.1571070 
1234.658,0.2383900 1235.140,0.3577800 1235.622,0.4037650 1236.104,0.3303940 
1236.586,0.3501660 1237.068,0.5559240 1237.550,0.7219230 1238.032,0.6768640 
1238.515,0.5291560 1238.997,0.4483660 1239.479,0.4251940 1239.961,0.4300140 
1240.443,0.4571010 1240.925,0.4856550 1241.407,0.5105850 1241.889,0.5324100 
1242.371,0.5445880 1242.854,0.4961850 1243.336,0.3430920 1243.818,0.1995360 
1244.300,0.2145190 1244.782,0.2454070 1245.264,0.1092780 
1245.746,5.7273000E-02 1246.228,7.0928998E-02 1246.711,1.2658000E-02 
1247.193,5.7680000E-02 1247.675,4.3359000E-02 1248.157,2.1859000E-02 
1248.639,2.2638001E-02 1249.121,1.5485000E-02 1249.603,0.1353810 
1250.085,0.2284160 1250.568,0.1031310 1251.050,2.9138001E-02 
1251.532,0.2599130 1252.014,0.5736470 1252.496,0.5806190 1252.978,0.3148810 
1253.460,0.1522740 1253.942,9.6791998E-02 1254.424,0.1097600 
1254.906,0.1910500 1255.389,0.2581480 1255.871,0.2880000 1256.353,0.2984230 
1256.835,0.3011220 1257.317,0.2847390 1257.799,0.2236290 1258.281,0.1447590 
1258.763,9.8787002E-02 1259.246,6.9651000E-02 1259.728,3.1300000E-04 
1260.210,7.3266000E-02 1260.692,1.7886000E-02 1261.174,0.1496470 
1261.656,0.2190370 1262.138,7.8919001E-02 1262.620,1.6770000E-03 
1263.103,0.1523080 1263.585,0.3249500 1264.067,0.4654700 1264.549,0.5422370 
1265.031,0.4914880 1265.513,0.3909340 1265.995,0.3628650 1266.477,0.3622810 
1266.959,0.3394250 1267.442,0.2481480 1267.924,0.2040860 1268.406,0.2408100 
1268.888,0.2646110 1269.370,0.2686780 1269.852,0.2973170 1270.334,0.3728490 
1270.816,0.4371790 1271.298,0.4143870 1271.781,0.3636730 1272.263,0.4310730 
1272.745,0.5536420 1273.227,0.5959610 1273.709,0.5417790 1274.191,0.4353350 
1274.673,0.2815600 1275.155,0.2884480 1275.638,0.4941550 1276.120,0.5872010 
1276.602,0.2749840 1277.084,3.2092001E-02 1277.566,0.1499450 
1278.048,0.3426690 1278.530,0.4952640 1279.012,0.5841450 1279.495,0.5846720 
1279.977,0.5102550 1280.459,0.3849610 1280.941,0.2053170 
1281.423,7.9415001E-02 1281.905,1.5728001E-02 1282.387,6.1769998E-03 
1282.869,0.1251510 1283.351,0.2559280 1283.833,0.3443980 1284.316,0.3562660 
1284.798,0.4255910 1285.280,0.4966590 1285.762,0.3459920 
1286.244,0.0000000E+00 
##MOLFORM=Ba O9 Si3 Ti
##RESOLUTION=4
##PRESSURE=100
##TEMPERATURE=26.85
##END=
