##TITLE=1000413
##JCAMP-DX=4.24
##DATA TYPE=RAMAN SPECTRUM
##SOURCE REFERENCE=http://solsa.crystallography.net/rod/1000413.rod
##OWNER=PUBLIC DOMAIN
##XUNITS=1/CM
##YUNITS=ARBITRARY UNITS
##FIRSTX=146.4769
##LASTX=1283.307
##XFACTOR=1
##YFACTOR=1
##NPOINTS=2359
##FIRSTY=0.0000000E+00
##LASTY=0.0000000E+00
##XYPOINTS=(XY..XY)
146.4769,0.0000000E+00 146.9590,4.296875 147.4411,24.12109 147.9232,166.1562 
148.4053,292.0977 148.8875,385.0000 149.3696,443.4258 149.8517,479.2344 
150.3338,469.9766 150.8159,446.1992 151.2980,442.7656 151.7802,497.2188 
152.2623,540.3359 152.7444,546.5586 153.2265,488.1445 153.7086,450.3984 
154.1908,457.5430 154.6729,491.1523 155.1550,510.9180 155.6371,519.1641 
156.1192,504.5859 156.6013,459.5703 157.0834,326.3633 157.5656,225.2383 
158.0477,191.7812 158.5298,218.1211 159.0119,258.2539 159.4940,335.1992 
159.9761,402.4883 160.4583,420.6094 160.9404,316.7266 161.4225,213.6523 
161.9046,168.1406 162.3867,186.0039 162.8688,215.1016 163.3510,220.9844 
163.8331,223.2578 164.3152,251.3008 164.7973,353.0312 165.2794,461.3086 
165.7615,527.2422 166.2437,535.3438 166.7258,528.9102 167.2079,525.5469 
167.6900,526.6602 168.1721,536.5352 168.6542,555.9961 169.1364,585.2109 
169.6185,627.8008 170.1006,698.4609 170.5827,762.2656 171.0648,790.8867 
171.5469,786.4375 172.0291,761.0898 172.5112,696.1367 172.9933,620.6016 
173.4754,579.3828 173.9575,623.4297 174.4396,688.9062 174.9218,694.8555 
175.4039,640.5938 175.8860,577.7148 176.3681,546.7031 176.8502,542.1953 
177.3323,549.2422 177.8144,576.6250 178.2966,652.0508 178.7787,699.9453 
179.2608,722.3672 179.7429,747.8047 180.2250,769.8750 180.7071,768.9023 
181.1893,797.1094 181.6714,924.9609 182.1535,1119.695 182.6356,1274.117 
183.1177,1355.680 183.5998,1381.938 184.0820,1379.762 184.5641,1338.578 
185.0462,1301.082 185.5283,1323.359 186.0104,1401.070 186.4925,1436.410 
186.9747,1414.227 187.4568,1358.035 187.9389,1317.145 188.4210,1292.664 
188.9031,1279.035 189.3852,1277.383 189.8674,1286.895 190.3495,1290.895 
190.8316,1282.766 191.3137,1266.105 191.7958,1256.309 192.2779,1255.676 
192.7601,1256.102 193.2422,1240.480 193.7243,1207.574 194.2064,1189.559 
194.6885,1200.949 195.1706,1240.570 195.6528,1292.234 196.1349,1363.301 
196.6170,1429.934 197.0991,1439.031 197.5812,1380.695 198.0633,1325.445 
198.5455,1321.871 199.0276,1374.332 199.5097,1384.133 199.9918,1330.605 
200.4739,1240.641 200.9560,1193.035 201.4381,1199.992 201.9203,1206.852 
202.4024,1177.664 202.8845,1109.898 203.3666,1031.746 203.8487,946.0352 
204.3308,858.1875 204.8130,771.2695 205.2951,686.1055 205.7772,604.2305 
206.2593,527.1055 206.7414,456.4414 207.2235,387.6172 207.7057,324.9219 
208.1878,267.4883 208.6699,176.9023 209.1520,25.83203 209.6341,118.2656 
210.1162,172.8516 210.5984,108.5547 211.0805,45.40625 211.5626,18.00781 
212.0447,30.89062 212.5268,45.79688 213.0089,70.83203 213.4911,91.29297 
213.9732,76.47266 214.4553,6.218750 214.9374,50.24219 215.4195,64.39453 
215.9016,24.61719 216.3838,18.49219 216.8659,70.68359 217.3480,123.8672 
217.8301,160.3125 218.3122,179.6367 218.7943,183.7344 219.2765,170.0352 
219.7586,127.2109 220.2407,96.85547 220.7228,86.90234 221.2049,89.38672 
221.6870,73.83203 222.1691,31.41797 222.6513,16.59766 223.1334,61.21094 
223.6155,115.9219 224.0976,135.6719 224.5797,93.66016 225.0618,4.972656 
225.5440,10.17188 226.0261,91.69922 226.5082,213.3047 226.9903,276.5898 
227.4724,246.2852 227.9545,229.0508 228.4367,244.4141 228.9188,291.8867 
229.4009,324.7227 229.8830,326.1484 230.3651,327.8750 230.8472,363.8945 
231.3294,457.4414 231.8115,541.3008 232.2936,604.9805 232.7757,649.5312 
233.2578,660.0078 233.7399,610.7148 234.2221,548.6758 234.7042,533.6484 
235.1863,595.7383 235.6684,655.9805 236.1505,689.8555 236.6326,688.0078 
237.1148,707.9844 237.5969,762.7539 238.0790,832.4180 238.5611,885.8516 
239.0432,915.6133 239.5253,941.0664 240.0075,969.5195 240.4896,1006.195 
240.9717,1024.590 241.4538,1005.461 241.9359,973.3906 242.4180,984.5000 
242.9002,1066.316 243.3823,1147.926 243.8644,1200.945 244.3465,1217.359 
244.8286,1219.547 245.3107,1194.836 245.7928,1158.473 246.2750,1158.996 
246.7571,1229.969 247.2392,1291.352 247.7213,1297.254 248.2034,1203.793 
248.6855,1158.012 249.1677,1190.594 249.6498,1277.359 250.1319,1310.922 
250.6140,1258.285 251.0961,1200.883 251.5782,1189.445 252.0604,1252.250 
252.5425,1297.086 253.0246,1311.785 253.5067,1301.141 253.9888,1290.430 
254.4709,1265.730 254.9531,1259.934 255.4352,1304.008 255.9173,1433.012 
256.3994,1528.496 256.8815,1571.738 257.3636,1566.559 257.8458,1552.641 
258.3279,1525.098 258.8100,1494.492 259.2921,1465.406 259.7742,1427.238 
260.2563,1417.617 260.7385,1452.871 261.2206,1529.902 261.7027,1581.391 
262.1848,1603.469 262.6669,1606.215 263.1490,1597.594 263.6312,1575.695 
264.1133,1549.797 264.5954,1523.762 265.0775,1497.934 265.5596,1459.711 
266.0417,1405.629 266.5239,1345.824 267.0060,1284.785 267.4881,1210.277 
267.9702,1155.160 268.4523,1141.527 268.9344,1169.199 269.4166,1174.430 
269.8987,1146.023 270.3808,1105.250 270.8629,1081.797 271.3450,1084.078 
271.8271,1067.605 272.3093,1011.750 272.7914,914.1250 273.2735,850.7930 
273.7556,829.9414 274.2377,822.1641 274.7198,783.7188 275.2020,707.3164 
275.6841,645.5078 276.1662,624.7266 276.6483,645.9531 277.1304,644.0312 
277.6125,612.8711 278.0946,577.9570 278.5768,584.9102 279.0589,639.8164 
279.5410,675.0273 280.0231,656.3164 280.5052,587.3242 280.9873,535.1406 
281.4695,500.1602 281.9516,478.1523 282.4337,466.8633 282.9158,464.2148 
283.3979,458.8281 283.8800,439.3672 284.3622,407.1836 284.8443,417.6523 
285.3264,483.4531 285.8085,555.2539 286.2906,544.9336 286.7727,455.1445 
287.2549,383.1289 287.7370,398.4297 288.2191,479.5078 288.7012,499.1406 
289.1833,443.6562 289.6654,362.1094 290.1476,318.8164 290.6297,312.0039 
291.1118,318.2617 291.5939,337.1758 292.0760,361.4688 292.5581,361.4727 
293.0403,330.6016 293.5224,294.4922 294.0045,285.8789 294.4866,301.8789 
294.9687,325.7617 295.4508,362.2578 295.9330,399.2148 296.4151,397.6836 
296.8972,345.8438 297.3793,295.7070 297.8614,332.7656 298.3435,431.8086 
298.8257,501.1758 299.3078,458.0859 299.7899,361.9883 300.2720,313.0391 
300.7541,322.1328 301.2362,358.9727 301.7184,411.3828 302.2005,469.1406 
302.6826,507.2695 303.1647,496.3203 303.6468,464.2617 304.1289,444.8594 
304.6111,441.8594 305.0932,447.6172 305.5753,465.6836 306.0574,488.8672 
306.5395,499.7227 307.0216,478.7734 307.5038,448.7617 307.9859,429.2578 
308.4680,421.9531 308.9501,428.2500 309.4322,464.3203 309.9143,514.7148 
310.3965,548.1133 310.8786,541.9180 311.3607,519.5391 311.8428,486.6758 
312.3249,435.3672 312.8070,417.1484 313.2892,493.3242 313.7713,616.0430 
314.2534,707.1758 314.7355,703.9805 315.2176,682.4219 315.6997,680.7812 
316.1819,704.4805 316.6640,739.9453 317.1461,796.6406 317.6282,858.7891 
318.1103,904.2734 318.5924,901.3281 319.0746,901.3125 319.5567,938.3828 
320.0388,1030.098 320.5209,1083.242 321.0030,1038.938 321.4851,953.3516 
321.9673,897.5977 322.4494,901.4492 322.9315,923.2383 323.4136,951.6680 
323.8957,985.8789 324.3778,1029.926 324.8599,1114.574 325.3420,1199.973 
325.8242,1238.383 326.3063,1170.254 326.7884,1115.098 327.2705,1103.465 
327.7526,1145.496 328.2347,1172.195 328.7169,1172.195 329.1990,1162.324 
329.6811,1159.797 330.1632,1168.258 330.6453,1177.359 331.1274,1180.027 
331.6096,1173.180 332.0917,1195.469 332.5738,1287.262 333.0559,1369.117 
333.5380,1345.641 334.0201,1141.863 334.5023,997.2734 334.9844,979.6094 
335.4665,1083.559 335.9486,1128.605 336.4307,1103.086 336.9128,1040.324 
337.3950,961.7617 337.8771,859.8086 338.3592,782.8242 338.8413,745.5586 
339.3234,743.0547 339.8055,745.4805 340.2877,759.4453 340.7698,777.7031 
341.2519,795.8555 341.7340,815.4375 342.2161,808.4258 342.6982,752.3984 
343.1804,672.8945 343.6625,666.7070 344.1446,743.9922 344.6267,820.9297 
345.1088,811.7344 345.5909,733.5781 346.0731,704.0703 346.5552,768.4805 
347.0373,863.7070 347.5194,863.9258 348.0015,774.4141 348.4836,680.9766 
348.9658,666.0898 349.4479,693.1562 349.9300,658.8906 350.4121,519.0859 
350.8942,368.5938 351.3763,346.4883 351.8585,427.5508 352.3406,500.3164 
352.8227,486.5117 353.3048,427.2188 353.7869,375.1094 354.2690,336.9961 
354.7512,312.9062 355.2333,313.0312 355.7154,328.4219 356.1975,336.9297 
356.6796,318.4883 357.1617,293.4492 357.6439,277.0078 358.1260,270.5430 
358.6081,274.8164 359.0902,311.4609 359.5723,356.5234 360.0544,369.8164 
360.5366,306.3086 361.0187,230.8359 361.5008,170.2070 361.9829,124.6211 
362.4650,106.7461 362.9471,158.4922 363.4293,228.5234 363.9114,253.6875 
364.3935,160.3516 364.8756,78.13281 365.3577,53.93359 365.8398,100.7891 
366.3220,130.8047 366.8041,110.9219 367.2862,81.19922 367.7683,79.82422 
368.2504,150.8164 368.7325,197.5898 369.2146,191.0625 369.6967,129.4336 
370.1789,107.9883 370.6610,148.3906 371.1431,206.1484 371.6252,251.5430 
372.1073,297.2227 372.5894,298.4883 373.0716,228.4883 373.5537,104.7695 
374.0358,46.08203 374.5179,79.75000 375.0000,122.5234 375.4821,114.9688 
375.9643,48.81250 376.4464,10.44141 376.9285,57.81641 377.4106,91.17578 
377.8927,100.6094 378.3748,82.41406 378.8570,62.09766 379.3391,58.15625 
379.8212,68.14453 380.3033,65.15234 380.7854,43.35156 381.2675,18.33203 
381.7497,27.46875 382.2318,65.91797 382.7139,82.49609 383.1960,30.33203 
383.6781,59.64844 384.1602,114.5234 384.6424,126.9805 385.1245,124.3008 
385.6066,134.6328 386.0887,152.7383 386.5708,164.6797 387.0529,155.4453 
387.5351,142.6602 388.0172,155.4219 388.4993,195.6250 388.9814,215.2344 
389.4635,149.7812 389.9456,52.55469 390.4278,5.218750 390.9099,24.45703 
391.3920,78.99609 391.8741,134.3320 392.3562,188.8008 392.8383,232.3125 
393.3205,269.8945 393.8026,289.7148 394.2847,281.9648 394.7668,208.8086 
395.2489,147.4023 395.7310,133.2695 396.2132,150.7852 396.6953,131.8789 
397.1774,11.00391 397.6595,104.4258 398.1416,162.2344 398.6237,113.4531 
399.1059,79.58203 399.5880,80.06250 400.0701,91.86328 400.5522,59.62891 
401.0343,62.92969 401.5164,161.5859 401.9986,182.0234 402.4807,92.14062 
402.9628,67.03516 403.4449,128.8281 403.9270,228.6133 404.4091,307.2305 
404.8913,370.4102 405.3734,379.3047 405.8555,294.5039 406.3376,130.0898 
406.8197,54.98438 407.3018,83.11719 407.7840,142.5117 408.2661,160.2031 
408.7482,140.8633 409.2303,131.3359 409.7124,153.3789 410.1945,186.8711 
410.6767,180.0195 411.1588,135.7500 411.6409,94.20312 412.1230,92.51172 
412.6051,115.1133 413.0872,127.2734 413.5693,113.7266 414.0515,103.9766 
414.5336,124.2734 415.0157,171.9336 415.4978,239.7227 415.9799,354.8008 
416.4620,469.3398 416.9442,536.6133 417.4263,538.5977 417.9084,533.5898 
418.3905,562.9570 418.8726,602.6328 419.3547,615.4453 419.8369,530.3047 
420.3190,467.2109 420.8011,497.7031 421.2832,641.4258 421.7653,735.6172 
422.2474,701.9102 422.7296,628.9805 423.2117,595.5234 423.6938,658.7617 
424.1759,706.6406 424.6580,714.5391 425.1401,689.1211 425.6223,695.9453 
426.1044,748.8945 426.5865,819.5039 427.0686,894.0430 427.5507,976.8633 
428.0328,1047.633 428.5150,1094.293 428.9971,1132.543 429.4792,1216.082 
429.9613,1361.215 430.4434,1477.875 430.9255,1500.648 431.4077,1433.031 
431.8898,1425.016 432.3719,1486.457 432.8540,1572.805 433.3361,1627.812 
433.8182,1653.477 434.3004,1670.219 434.7825,1699.223 435.2646,1721.309 
435.7467,1672.176 436.2288,1554.199 436.7109,1465.895 437.1931,1514.449 
437.6752,1645.383 438.1573,1767.465 438.6394,1873.918 439.1215,1945.395 
439.6036,1935.402 440.0858,1864.434 440.5679,1818.125 441.0500,1869.891 
441.5321,1950.832 442.0142,2003.980 442.4963,2012.598 442.9785,2003.402 
443.4606,1965.004 443.9427,1914.594 444.4248,1882.496 444.9069,1896.391 
445.3890,1907.660 445.8712,1895.680 446.3533,1852.164 446.8354,1824.441 
447.3175,1833.547 447.7996,1843.918 448.2817,1820.859 448.7639,1747.730 
449.2460,1677.410 449.7281,1619.672 450.2102,1572.531 450.6923,1518.836 
451.1744,1456.926 451.6566,1395.035 452.1387,1342.918 452.6208,1301.609 
453.1029,1249.180 453.5850,1182.691 454.0671,1107.414 454.5493,1019.344 
455.0314,920.6094 455.5135,848.1992 455.9956,846.5664 456.4777,890.1484 
456.9598,913.1445 457.4420,911.1406 457.9240,884.8828 458.4062,826.1992 
458.8883,748.7539 459.3704,672.2734 459.8525,588.9844 460.3346,522.2109 
460.8167,497.5078 461.2989,509.4102 461.7810,523.8320 462.2631,532.5977 
462.7452,533.2500 463.2273,524.0586 463.7094,503.1719 464.1916,475.7383 
464.6737,432.5469 465.1558,384.1836 465.6379,353.4727 466.1200,355.1367 
466.6021,362.8945 467.0843,367.2148 467.5664,363.9414 468.0485,374.3281 
468.5306,412.0000 469.0127,449.1211 469.4948,454.5977 469.9770,418.6758 
470.4591,375.5898 470.9412,324.9102 471.4233,272.5117 471.9054,254.6523 
472.3875,279.0039 472.8697,299.5703 473.3518,280.0742 473.8339,226.4727 
474.3160,171.8047 474.7981,116.6719 475.2802,73.13281 475.7624,65.00391 
476.2445,85.90625 476.7266,108.5430 477.2087,128.3438 477.6908,138.2773 
478.1729,118.9023 478.6551,68.77344 479.1372,32.91406 479.6193,56.42578 
480.1014,105.0664 480.5835,138.9492 481.0656,115.7109 481.5478,104.1602 
482.0299,150.1484 482.5120,235.2109 482.9941,284.4336 483.4762,246.6797 
483.9583,193.5547 484.4405,161.3086 484.9226,175.2461 485.4047,162.2383 
485.8868,93.34766 486.3689,12.01953 486.8510,14.43750 487.3332,55.98047 
487.8153,98.80859 488.2974,73.41406 488.7795,14.09766 489.2616,67.74219 
489.7437,82.85547 490.2259,77.00391 490.7080,57.16406 491.1901,24.39844 
491.6722,4.324219 492.1543,3.769531 492.6364,13.01172 493.1186,16.41406 
493.6007,15.35938 494.0828,15.43359 494.5649,36.37109 495.0470,55.01953 
495.5291,28.42188 496.0113,49.47266 496.4934,121.9180 496.9755,159.8047 
497.4576,164.2422 497.9397,137.9492 498.4218,25.54688 498.9040,61.86719 
499.3861,54.93750 499.8682,27.91406 500.3503,88.61328 500.8324,95.36719 
501.3145,80.83594 501.7967,58.39062 502.2788,12.47266 502.7609,6.214844 
503.2430,15.98828 503.7251,58.66016 504.2072,91.35938 504.6893,109.6289 
505.1714,126.1055 505.6536,141.5312 506.1357,156.0352 506.6178,177.2422 
507.0999,205.2070 507.5820,235.2500 508.0641,260.0469 508.5463,280.9844 
509.0284,319.8867 509.5105,389.1992 509.9926,455.1133 510.4747,460.7148 
510.9568,417.7812 511.4390,371.9492 511.9211,341.8398 512.4032,324.5703 
512.8853,321.2031 513.3674,332.2266 513.8495,343.5586 514.3317,358.8477 
514.8138,365.3438 515.2959,350.0312 515.7780,246.1523 516.2601,189.5195 
516.7422,269.6875 517.2244,437.3711 517.7065,514.5391 518.1886,380.0547 
518.6707,245.2148 519.1528,181.2773 519.6349,203.8750 520.1171,244.4805 
520.5992,323.7617 521.0813,398.4727 521.5634,408.3438 522.0455,336.6914 
522.5276,291.9805 523.0098,305.5234 523.4919,358.1328 523.9740,390.2539 
524.4561,401.6992 524.9382,405.5039 525.4203,417.0820 525.9025,426.8477 
526.3846,399.0195 526.8667,319.2383 527.3488,256.8008 527.8309,297.4492 
528.3130,399.1484 528.7952,484.8789 529.2773,529.5078 529.7594,544.8125 
530.2415,507.3164 530.7236,430.0742 531.2057,410.0195 531.6879,570.2773 
532.1700,734.7812 532.6521,791.7695 533.1342,649.2773 533.6163,545.5781 
534.0984,485.4961 534.5806,467.4805 535.0627,497.0703 535.5448,607.7773 
536.0269,691.5469 536.5090,714.2852 536.9911,684.2422 537.4733,668.3164 
537.9554,669.6523 538.4375,674.5625 538.9196,671.3906 539.4017,664.0898 
539.8839,661.8516 540.3660,659.1602 540.8481,666.1445 541.3302,715.2852 
541.8123,786.8164 542.2944,825.9102 542.7766,765.6133 543.2587,683.6133 
543.7408,637.9180 544.2229,629.5859 544.7050,653.4570 545.1871,749.0039 
545.6693,852.4336 546.1514,915.3789 546.6335,894.4297 547.1156,882.2695 
547.5977,902.0469 548.0798,940.5352 548.5620,972.4180 549.0441,1012.520 
549.5262,1022.812 550.0083,981.1836 550.4904,889.4570 550.9725,832.5078 
551.4547,819.5781 551.9368,816.2227 552.4189,794.8281 552.9010,756.7344 
553.3831,719.0000 553.8652,682.8945 554.3474,649.9883 554.8295,629.2031 
555.3116,617.1992 555.7937,601.6445 556.2758,561.8086 556.7579,522.7656 
557.2401,524.8164 557.7222,568.3984 558.2043,608.7773 558.6864,639.5117 
559.1685,648.6875 559.6506,622.2461 560.1328,523.8320 560.6149,448.6719 
561.0970,412.6953 561.5791,410.9219 562.0612,436.2148 562.5433,515.5859 
563.0255,582.4844 563.5076,629.8320 563.9897,655.2773 564.4718,614.0898 
564.9539,477.7266 565.4360,350.9727 565.9182,317.5469 566.4003,372.2617 
566.8824,423.1914 567.3645,463.3438 567.8466,491.4766 568.3287,504.0234 
568.8109,504.8750 569.2930,500.0703 569.7750,494.4531 570.2571,479.0859 
570.7393,433.3867 571.2214,363.7578 571.7035,313.9648 572.1856,329.7852 
572.6677,355.3047 573.1498,346.3398 573.6320,268.5859 574.1141,223.9727 
574.5962,264.9609 575.0783,333.0703 575.5604,353.2500 576.0425,293.0195 
576.5247,242.7656 577.0068,211.5195 577.4889,201.0898 577.9710,228.3516 
578.4531,304.4531 578.9352,367.9766 579.4174,373.2188 579.8995,329.5664 
580.3816,296.0000 580.8637,276.8711 581.3458,255.5469 581.8279,200.9961 
582.3101,133.2500 582.7922,95.30078 583.2743,113.0898 583.7564,152.1875 
584.2385,191.5547 584.7206,229.8477 585.2028,262.7188 585.6849,296.2539 
586.1670,317.3672 586.6491,312.0078 587.1312,271.8281 587.6133,250.5430 
588.0955,266.3398 588.5776,287.7578 589.0597,290.4375 589.5418,268.9609 
590.0239,241.8906 590.5060,212.0430 590.9882,176.6406 591.4703,121.9844 
591.9524,47.59375 592.4345,6.847656 592.9166,16.94922 593.3987,2.851563 
593.8809,23.13281 594.3630,43.79297 594.8451,53.81641 595.3272,40.46875 
595.8093,15.41797 596.2914,13.29688 596.7736,56.14453 597.2557,73.97656 
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599.6663,25.74609 600.1484,24.21875 600.6305,158.1562 601.1126,244.7852 
601.5947,277.5000 602.0768,272.7539 602.5590,219.0234 603.0411,109.6211 
603.5232,70.01953 604.0053,113.6602 604.4874,177.8359 604.9695,190.5664 
605.4517,163.2305 605.9338,138.8906 606.4159,127.2695 606.8980,126.7422 
607.3801,136.5391 607.8622,156.0703 608.3444,183.5586 608.8265,245.3711 
609.3086,292.5312 609.7907,285.9648 610.2728,219.8125 610.7549,173.0508 
611.2371,181.2734 611.7192,199.0039 612.2013,196.2266 612.6834,155.5820 
613.1655,133.3359 613.6476,137.6445 614.1298,153.3164 614.6119,153.0508 
615.0940,134.8164 615.5761,124.9414 616.0582,137.6562 616.5403,161.2031 
617.0225,162.6328 617.5046,144.6523 617.9867,133.9609 618.4688,171.2852 
618.9509,213.6836 619.4330,203.3984 619.9152,129.4258 620.3973,58.12109 
620.8794,10.15625 621.3615,10.82812 621.8436,1.246094 622.3257,97.23828 
622.8079,156.1914 623.2900,135.2227 623.7721,71.06250 624.2542,42.57422 
624.7363,71.78906 625.2184,87.62891 625.7006,59.61328 626.1827,3.953125 
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628.5933,235.1328 629.0754,258.3555 629.5575,198.9648 630.0396,133.1719 
630.5217,137.9883 631.0038,185.1992 631.4860,228.6836 631.9681,276.8203 
632.4502,292.7578 632.9323,227.7734 633.4144,114.6445 633.8965,62.42578 
634.3787,145.9844 634.8608,218.1133 635.3429,233.1055 635.8250,188.8906 
636.3071,164.5234 636.7892,162.1797 637.2714,160.8516 637.7535,160.1680 
638.2356,159.1367 638.7177,144.0938 639.1998,113.1406 639.6819,72.41406 
640.1641,9.906250 640.6462,59.96094 641.1283,88.33594 641.6104,16.20312 
642.0925,63.00000 642.5746,78.41797 643.0568,50.16016 643.5389,47.89453 
644.0210,124.4688 644.5031,190.3320 644.9852,208.2070 645.4673,171.8633 
645.9495,147.1602 646.4316,126.0508 646.9137,126.3281 647.3958,182.4844 
647.8779,305.3906 648.3600,344.4922 648.8422,267.4219 649.3243,156.1367 
649.8064,132.3750 650.2885,176.1484 650.7706,216.7383 651.2527,241.1133 
651.7349,243.3008 652.2170,202.6641 652.6991,132.5547 653.1812,77.77344 
653.6633,45.98047 654.1454,43.31250 654.6276,91.94141 655.1097,206.8945 
655.5918,258.0703 656.0739,179.9531 656.5560,93.25000 657.0381,80.18750 
657.5203,163.4102 658.0024,218.5312 658.4845,235.0273 658.9666,231.2852 
659.4487,228.1719 659.9308,226.2539 660.4129,231.8867 660.8950,253.3945 
661.3771,273.4727 661.8593,272.1016 662.3414,252.3633 662.8235,224.0898 
663.3056,175.9922 663.7877,136.4648 664.2698,126.0273 664.7520,140.5703 
665.2341,150.5781 665.7162,148.1406 666.1983,148.1719 666.6804,158.7578 
667.1625,188.5234 667.6447,187.4492 668.1268,142.4297 668.6089,93.10938 
669.0910,89.77344 669.5731,128.7773 670.0552,174.8516 670.5374,230.6562 
671.0195,269.9180 671.5016,226.1016 671.9837,133.8906 672.4658,90.19141 
672.9479,206.2070 673.4301,325.8242 673.9122,347.8984 674.3943,280.2617 
674.8764,215.2734 675.3585,152.8672 675.8406,116.2930 676.3228,120.2266 
676.8049,173.5156 677.2870,217.1016 677.7691,251.8711 678.2512,274.3320 
678.7333,277.4453 679.2155,262.0820 679.6976,249.5586 680.1797,244.2070 
680.6618,241.2031 681.1439,248.8594 681.6260,254.7070 682.1082,230.4609 
682.5903,121.3789 683.0724,23.83203 683.5545,13.20312 684.0366,63.03125 
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696.0895,204.4297 696.5717,143.6914 697.0538,31.02344 697.5359,38.67969 
698.0180,3.875000 698.5001,128.4609 698.9822,183.5039 699.4644,174.5508 
699.9465,134.3867 700.4286,48.45312 700.9107,40.15625 701.3928,56.50781 
701.8749,29.90625 702.3571,96.82422 702.8392,62.60938 703.3213,11.78125 
703.8034,64.59766 704.2855,69.22266 704.7676,72.64453 705.2498,82.15625 
705.7319,86.11328 706.2140,61.15234 706.6961,0.3984380 707.1782,56.29688 
707.6603,101.4922 708.1425,132.1094 708.6246,127.3711 709.1067,93.14453 
709.5888,70.10547 710.0709,89.01562 710.5530,124.3789 711.0352,155.3984 
711.5173,180.3438 711.9994,196.9922 712.4815,202.7734 712.9636,202.5820 
713.4457,195.6367 713.9279,175.6953 714.4100,169.9375 714.8921,191.4375 
715.3742,212.0000 715.8563,194.0273 716.3384,136.6172 716.8206,110.6562 
717.3027,132.3477 717.7848,167.2734 718.2669,169.5312 718.7490,149.2930 
719.2311,131.2031 719.7133,141.2734 720.1954,136.7344 720.6775,65.56250 
721.1596,40.27734 721.6417,102.1758 722.1238,45.39062 722.6060,0.5781250 
723.0881,11.37500 723.5702,68.62891 724.0523,90.65625 724.5344,70.49609 
725.0165,39.28516 725.4987,12.13672 725.9808,10.89453 726.4629,29.55859 
726.9450,43.73828 727.4271,61.69141 727.9092,109.0820 728.3914,153.4961 
728.8735,143.5977 729.3556,51.23828 729.8377,11.13281 730.3198,34.23438 
730.8019,116.7305 731.2841,162.7539 731.7662,152.5625 732.2483,136.2773 
732.7304,109.6758 733.2125,85.26953 733.6946,88.53516 734.1768,120.8359 
734.6589,143.5234 735.1410,135.8945 735.6231,126.7656 736.1052,177.8672 
736.5873,269.1484 737.0695,336.9180 737.5516,322.9141 738.0337,297.9219 
738.5158,304.5391 738.9979,340.1758 739.4800,373.8438 739.9622,407.6680 
740.4443,430.0273 740.9264,431.3281 741.4085,412.2930 741.8906,406.8242 
742.3727,418.9805 742.8549,421.3125 743.3370,380.4922 743.8191,309.4883 
744.3012,262.7461 744.7833,251.9844 745.2654,248.1289 745.7476,203.3281 
746.2297,151.9961 746.7118,140.5781 747.1939,205.8164 747.6760,260.7461 
748.1581,275.9062 748.6403,273.2695 749.1224,281.1953 749.6044,309.9844 
750.0865,321.8047 750.5687,309.2148 751.0508,279.8789 751.5329,235.3008 
752.0150,180.9414 752.4971,154.5391 752.9792,175.3828 753.4614,211.3398 
753.9435,224.9180 754.4256,221.3594 754.9077,217.5430 755.3898,228.8398 
755.8719,232.9961 756.3541,213.1055 756.8362,166.8945 757.3183,118.5156 
757.8004,54.57422 758.2825,11.93359 758.7646,9.976563 759.2468,49.41406 
759.7289,98.62891 760.2110,156.2305 760.6931,192.6133 761.1752,172.1211 
761.6573,116.0312 762.1395,51.61328 762.6216,22.46875 763.1037,65.14062 
763.5858,21.66016 764.0679,45.50391 764.5500,80.34375 765.0322,38.30469 
765.5143,17.82422 765.9964,24.31641 766.4785,45.46484 766.9606,71.78906 
767.4427,103.8984 767.9249,115.0820 768.4070,92.75391 768.8891,67.84766 
769.3712,100.0703 769.8533,163.8477 770.3354,197.8398 770.8176,146.5977 
771.2997,94.75391 771.7818,90.18750 772.2639,119.1367 772.7460,145.1484 
773.2281,144.1016 773.7103,167.9336 774.1924,241.1406 774.6745,346.1602 
775.1566,403.5938 775.6387,409.1367 776.1208,409.3945 776.6030,420.8633 
777.0851,445.2148 777.5672,504.8828 778.0493,590.6055 778.5314,639.8711 
779.0135,557.3750 779.4957,466.3555 779.9778,462.2422 780.4599,557.5742 
780.9420,647.8438 781.4241,728.5586 781.9063,794.1992 782.3884,838.4883 
782.8705,858.0898 783.3526,902.7148 783.8347,977.5352 784.3168,1048.191 
784.7990,1073.879 785.2811,1074.996 785.7632,1091.520 786.2453,1130.070 
786.7274,1180.406 787.2095,1232.504 787.6917,1295.020 788.1738,1378.820 
788.6559,1501.355 789.1380,1620.637 789.6201,1740.707 790.1022,1850.969 
790.5844,1928.062 791.0665,1968.133 791.5486,2030.699 792.0307,2127.664 
792.5128,2243.961 792.9949,2375.691 793.4771,2509.977 793.9592,2620.188 
794.4413,2687.371 794.9234,2737.504 795.4055,2760.566 795.8876,2778.465 
796.3698,2841.988 796.8519,3002.473 797.3340,3136.414 797.8161,3209.410 
798.2982,3248.355 798.7803,3347.559 799.2625,3507.684 799.7446,3632.129 
800.2267,3655.859 800.7088,3640.488 801.1909,3675.168 801.6730,3753.605 
802.1552,3851.145 802.6373,3987.215 803.1194,4110.863 803.6015,4191.172 
804.0836,4228.336 804.5657,4274.031 805.0479,4327.660 805.5300,4391.184 
806.0121,4465.035 806.4942,4549.789 806.9763,4653.168 807.4584,4775.027 
807.9406,4890.082 808.4227,4964.797 808.9048,5029.578 809.3869,5123.742 
809.8690,5250.539 810.3511,5380.527 810.8333,5479.391 811.3154,5597.227 
811.7975,5766.383 812.2796,5993.402 812.7617,6236.414 813.2438,6503.617 
813.7260,6766.992 814.2081,6995.238 814.6902,7197.133 815.1723,7419.523 
815.6544,7665.371 816.1365,7939.742 816.6187,8253.785 817.1008,8593.613 
817.5829,8948.203 818.0650,9307.762 818.5471,9695.652 819.0292,10119.38 
819.5114,10569.12 819.9935,11041.71 820.4756,11540.82 820.9577,12026.15 
821.4398,12495.52 821.9219,12960.37 822.4041,13436.39 822.8862,13921.23 
823.3683,14408.44 823.8504,14892.30 824.3325,15395.32 824.8146,15958.33 
825.2968,16544.65 825.7789,17111.50 826.2610,17648.70 826.7431,18173.15 
827.2252,18677.71 827.7073,19169.86 828.1895,19651.42 828.6716,20126.73 
829.1537,20560.09 829.6358,20942.08 830.1179,21284.72 830.6000,21635.54 
831.0822,21955.57 831.5643,22160.93 832.0464,22179.17 832.5285,22131.59 
833.0106,22081.99 833.4927,21984.31 833.9749,21751.70 834.4570,21360.96 
834.9391,20887.72 835.4212,20329.09 835.9033,19714.58 836.3854,19119.61 
836.8676,18535.30 837.3497,17931.25 837.8318,17282.41 838.3139,16609.59 
838.7960,15925.46 839.2781,15229.41 839.7602,14516.30 840.2423,13760.29 
840.7244,13015.54 841.2065,12312.89 841.6887,11627.15 842.1708,10900.97 
842.6529,10124.96 843.1350,9381.555 843.6171,8701.219 844.0992,8070.309 
844.5814,7490.887 845.0635,6946.375 845.5456,6392.633 846.0277,5734.855 
846.5098,5139.266 846.9919,4727.309 847.4741,4461.094 847.9562,4136.121 
848.4383,3700.449 848.9204,3309.973 849.4025,3019.574 849.8846,2803.570 
850.3668,2566.031 850.8489,2312.887 851.3310,2105.871 851.8131,2034.367 
852.2952,1990.719 852.7773,1854.285 853.2595,1651.949 853.7416,1480.566 
854.2237,1386.258 854.7058,1306.070 855.1879,1227.727 855.6700,1149.316 
856.1522,1048.094 856.6343,916.4336 857.1164,827.1016 857.5985,844.9570 
858.0806,907.1406 858.5627,893.0430 859.0449,813.4688 859.5270,714.7031 
860.0091,585.4805 860.4912,478.2969 860.9733,428.9102 861.4554,433.5391 
861.9376,425.9922 862.4197,402.9609 862.9018,374.8359 863.3839,341.5352 
863.8660,307.6250 864.3481,291.5312 864.8303,292.0547 865.3124,297.6211 
865.7945,310.5312 866.2766,317.5898 866.7587,301.3047 867.2408,266.8906 
867.7230,243.1406 868.2051,263.8945 868.6872,264.5898 869.1693,217.1367 
869.6514,133.9062 870.1335,91.33594 870.6157,91.29688 871.0978,83.24219 
871.5799,12.37500 872.0620,63.45703 872.5441,35.51172 873.0262,71.00781 
873.5084,146.8086 873.9905,124.7383 874.4726,80.37500 874.9547,41.36719 
875.4368,7.144531 875.9189,30.55859 876.4011,80.30469 876.8832,99.94922 
877.3653,56.69922 877.8474,18.75781 878.3295,50.37109 878.8116,43.31641 
879.2938,22.67969 879.7759,25.08203 880.2580,57.73047 880.7401,39.71875 
881.2222,19.12891 881.7043,66.28906 882.1865,112.9023 882.6686,115.8242 
883.1507,37.16797 883.6328,80.79688 884.1149,77.45703 884.5970,32.76953 
885.0792,122.0430 885.5613,103.5898 886.0434,55.21094 886.5255,42.82812 
887.0076,57.23047 887.4897,70.06250 887.9719,90.92188 888.4540,85.71875 
888.9361,29.20703 889.4182,51.77734 889.9003,65.89062 890.3824,10.67188 
890.8646,31.55859 891.3467,22.12109 891.8288,4.304688 892.3109,3.511719 
892.7930,17.36328 893.2751,41.58594 893.7573,86.59375 894.2394,109.0195 
894.7215,69.49609 895.2036,2.730469 895.6857,11.20312 896.1678,42.22266 
896.6500,74.55859 897.1321,54.77344 897.6142,14.64062 898.0963,9.082031 
898.5784,29.21875 899.0605,53.42383 899.5427,88.50977 900.0248,101.0605 
900.5069,55.20898 900.9890,15.83789 901.4711,49.81445 901.9532,34.16406 
902.4354,11.15820 902.9175,23.14453 903.3996,48.35547 903.8817,8.216797 
904.3638,77.14844 904.8459,116.2910 905.3281,65.83008 905.8102,4.466797 
906.2923,27.74805 906.7744,34.51367 907.2565,18.98828 907.7386,58.43750 
908.2208,77.81055 908.7029,9.031250 909.1850,77.47852 909.6671,84.79102 
910.1492,28.42383 910.6313,16.59961 911.1135,39.37695 911.5956,41.42969 
912.0777,10.75391 912.5598,32.65820 913.0419,68.32031 913.5240,91.39453 
914.0062,105.2910 914.4883,97.37500 914.9704,97.45508 915.4525,148.9492 
915.9346,244.2656 916.4167,271.2070 916.8989,217.5430 917.3810,157.3242 
917.8631,157.8066 918.3452,182.6348 918.8273,195.9668 919.3094,191.1680 
919.7916,182.0430 920.2737,172.8184 920.7558,159.5293 921.2379,136.9688 
921.7200,105.7051 922.2021,86.13867 922.6843,78.61328 923.1664,83.59766 
923.6485,117.8867 924.1306,154.1309 924.6127,157.3887 925.0948,127.3203 
925.5770,103.8672 926.0591,102.8359 926.5412,104.7168 927.0233,100.0566 
927.5054,90.92969 927.9875,102.4785 928.4697,134.9395 928.9517,164.2012 
929.4338,168.3379 929.9160,164.8652 930.3981,187.5391 930.8802,227.8125 
931.3623,252.6738 931.8444,247.1367 932.3265,227.1816 932.8087,188.1719 
933.2908,141.2793 933.7729,125.4395 934.2550,140.5547 934.7371,158.8750 
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937.1477,189.2754 937.6298,211.0801 938.1119,214.9395 938.5941,173.3242 
939.0762,126.4238 939.5583,143.4219 940.0404,230.6543 940.5225,282.3594 
941.0046,275.5879 941.4868,237.6738 941.9689,195.9238 942.4510,160.8555 
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950.6470,67.15430 951.1291,51.06055 951.6112,16.47461 952.0933,36.90039 
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995.0017,261.0527 995.4838,290.5410 995.9659,149.5449 996.4481,55.97266 
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998.8586,73.22266 999.3408,62.94922 999.8229,63.30469 1000.305,87.10938 
1000.787,120.9121 1001.269,153.4785 1001.751,187.9629 1002.233,201.4785 
1002.716,187.6699 1003.198,166.8242 1003.680,152.2480 1004.162,142.2871 
1004.644,129.7012 1005.126,115.8008 1005.608,115.2852 1006.090,166.5195 
1006.573,204.7051 1007.055,181.9688 1007.537,115.3262 1008.019,72.75586 
1008.501,57.68359 1008.983,49.21680 1009.465,41.41406 1009.947,36.41211 
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1016.215,125.0645 1016.697,123.7715 1017.179,114.7988 1017.661,98.43359 
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1101.067,25.17969 1101.549,20.62500 1102.031,37.91602 1102.514,56.43555 
1102.996,66.71094 1103.478,80.83984 1103.960,122.3496 1104.442,157.8262 
1104.924,147.5547 1105.406,81.26953 1105.888,64.06445 1106.371,100.1836 
1106.853,125.6523 1107.335,65.57227 1107.817,6.078125 1108.299,22.92383 
1108.781,11.05859 1109.263,62.66406 1109.745,150.3027 1110.228,187.5254 
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1114.567,17.67773 1115.049,45.19141 1115.531,58.51562 1116.013,61.03711 
1116.495,55.02930 1116.977,54.38281 1117.459,75.41406 1117.941,91.54102 
1118.423,84.61719 1118.906,68.26758 1119.388,57.26758 1119.870,50.39453 
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1122.280,51.53906 1122.763,19.34570 1123.245,31.25781 1123.727,47.39062 
1124.209,72.74805 1124.691,82.59375 1125.173,61.21875 1125.655,36.99414 
1126.137,69.29297 1126.620,124.8242 1127.102,142.6777 1127.584,79.28516 
1128.066,47.50586 1128.548,74.61719 1129.030,103.4512 1129.512,76.39062 
1129.994,18.50391 1130.476,51.44141 1130.958,154.5938 1131.441,214.4922 
1131.923,124.4512 1132.405,45.98047 1132.887,37.42578 1133.369,67.74219 
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1145.422,34.20898 1145.904,123.3691 1146.386,205.3594 1146.868,219.1484 
1147.350,124.8496 1147.833,7.919922 1148.315,6.507813 1148.797,82.03516 
1149.279,111.9316 1149.761,75.24609 1150.243,62.73828 1150.725,161.5508 
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1158.921,112.4180 1159.403,66.29883 1159.885,48.65625 1160.368,40.26367 
1160.850,41.92773 1161.332,47.18945 1161.814,56.00781 1162.296,65.44141 
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1191.705,132.7031 1192.187,150.2461 1192.669,141.1406 1193.151,136.8574 
1193.634,193.1992 1194.116,251.7090 1194.598,247.5312 1195.080,180.8789 
1195.562,101.9863 1196.044,4.259766 1196.526,51.76758 1197.008,7.974609 
1197.491,66.71289 1197.973,105.3770 1198.455,121.4121 1198.937,128.6562 
1199.419,126.5898 1199.901,137.3184 1200.383,166.5098 1200.865,193.9707 
1201.348,213.4629 1201.830,220.1582 1202.312,202.1348 1202.794,175.4512 
1203.276,161.9473 1203.758,171.9648 1204.240,168.7070 1204.722,141.1387 
1205.204,125.9043 1205.687,165.3145 1206.169,226.8984 1206.651,255.6152 
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1214.847,209.6465 1215.329,185.1016 1215.811,165.5000 1216.293,166.2441 
1216.775,203.0625 1217.257,243.6289 1217.740,281.9746 1218.222,310.4668 
1218.704,301.0332 1219.186,268.6406 1219.668,251.9805 1220.150,272.2891 
1220.632,277.3066 1221.114,243.6641 1221.596,208.2832 1222.078,189.4316 
1222.561,185.7793 1223.043,205.4375 1223.525,237.0469 1224.007,245.7793 
1224.489,197.8691 1224.971,154.8223 1225.453,129.2754 1225.935,107.8574 
1226.418,72.32422 1226.900,32.55469 1227.382,28.00977 1227.864,54.40430 
1228.346,83.67773 1228.828,128.6035 1229.310,136.9629 1229.792,86.80664 
1230.275,16.81641 1230.757,37.67188 1231.239,70.30664 1231.721,49.89648 
1232.203,22.02344 1232.685,76.89062 1233.167,76.97656 1233.649,62.09180 
1234.131,31.58008 1234.614,6.621094 1235.096,45.31836 1235.578,119.6895 
1236.060,149.2559 1236.542,115.1367 1237.024,86.78516 1237.506,96.40625 
1237.988,107.5742 1238.470,109.0703 1238.953,103.2402 1239.435,89.81250 
1239.917,72.08789 1240.399,63.33594 1240.881,91.39258 1241.363,109.6230 
1241.845,105.1934 1242.327,95.67383 1242.810,91.07617 1243.292,87.49609 
1243.774,71.13867 1244.256,45.64648 1244.738,20.06250 1245.220,21.14062 
1245.702,23.97656 1246.184,29.80664 1246.666,96.28516 1247.149,155.6523 
1247.631,197.1641 1248.113,167.3848 1248.595,91.10352 1249.077,52.48828 
1249.559,123.1035 1250.041,173.5000 1250.523,187.0840 1251.005,183.8008 
1251.488,185.4141 1251.970,184.6855 1252.452,150.1562 1252.934,91.85938 
1253.416,80.04492 1253.898,188.7480 1254.380,253.5859 1254.862,243.7734 
1255.344,200.4277 1255.827,161.4883 1256.309,137.0801 1256.791,150.7207 
1257.273,192.1934 1257.755,204.1172 1258.237,212.8203 1258.719,209.2227 
1259.201,187.9590 1259.684,166.1719 1260.166,149.6016 1260.648,141.5273 
1261.130,156.7832 1261.612,200.2090 1262.094,207.5234 1262.576,165.2695 
1263.058,129.4805 1263.541,119.1426 1264.023,124.3730 1264.505,141.5879 
1264.987,158.1465 1265.469,151.4277 1265.951,96.25195 1266.433,53.70703 
1266.915,25.88086 1267.397,10.72070 1267.880,11.70312 1268.362,18.03711 
1268.844,11.24805 1269.326,4.875000 1269.808,23.77539 1270.290,79.20508 
1270.772,96.88867 1271.254,72.85156 1271.736,52.20508 1272.219,67.87109 
1272.701,92.16602 1273.183,98.78320 1273.665,99.95312 1274.147,121.7051 
1274.629,175.8672 1275.111,172.5957 1275.593,107.2305 1276.076,43.04492 
1276.558,22.23438 1277.040,18.00977 1277.522,3.279297 1278.004,9.273438 
1278.486,4.253906 1278.968,43.86523 1279.450,81.15039 1279.932,114.5215 
1280.415,137.0059 1280.897,125.1055 1281.379,114.1562 1281.861,94.33984 
1282.343,67.82031 1282.825,36.49023 1283.307,0.0000000E+00 
##MOLFORM=Ba H6 O30 U6
##RESOLUTION=4
##PRESSURE=100
##TEMPERATURE=26.85
##END=
