##TITLE=1000230 ##JCAMP-DX=4.24 ##DATA TYPE=RAMAN SPECTRUM ##SOURCE REFERENCE=http://solsa.crystallography.net/rod/1000230.rod ##OWNER=PUBLIC DOMAIN ##XUNITS=1/CM ##YUNITS=ARBITRARY UNITS ##FIRSTX=145.145 ##LASTX=1295.959 ##XFACTOR=1 ##YFACTOR=1 ##NPOINTS=2388 ##FIRSTY=0.000 ##LASTY=0.000 ##XYPOINTS=(XY..XY) 145.145,0.000 145.628,12.236 146.110,21.048 146.592,23.052 147.074,17.666 147.556,7.735 148.038,0.629 148.520,4.048 149.002,0.511 149.484,21.230 149.967,36.108 150.449,39.665 150.931,31.529 151.413,24.586 151.895,17.170 152.377,11.819 152.859,10.620 153.342,13.755 153.824,21.240 154.306,33.366 154.788,50.537 155.270,71.137 155.752,98.979 156.234,129.688 156.716,157.584 157.198,168.457 157.680,186.482 158.163,222.568 158.645,285.550 159.127,349.780 159.609,402.974 160.091,452.057 160.573,513.449 161.055,592.291 161.538,684.405 162.020,786.320 162.502,896.750 162.984,1017.143 163.466,1154.660 163.948,1305.316 164.430,1450.999 164.912,1572.267 165.394,1687.357 165.876,1812.426 166.359,2022.214 166.841,2189.513 167.323,2242.215 167.805,2181.455 168.287,2043.355 168.769,1799.842 169.251,1504.410 169.733,1228.204 170.216,992.854 170.698,793.581 171.180,626.553 171.662,490.935 172.144,388.831 172.626,330.378 173.108,306.230 173.590,294.923 174.072,294.319 174.555,297.425 175.037,293.122 175.519,276.332 176.001,264.061 176.483,278.489 176.965,314.312 177.447,350.608 177.929,367.812 178.412,377.766 178.894,403.619 179.376,456.531 179.858,515.092 180.340,553.698 180.822,572.475 181.304,575.615 181.786,560.597 182.268,531.853 182.751,500.690 183.233,468.716 183.715,437.052 184.197,402.807 184.679,365.285 185.161,342.247 185.643,357.093 186.125,403.306 186.607,451.556 187.090,488.665 187.572,522.254 188.054,570.387 188.536,630.186 189.018,700.162 189.500,778.685 189.982,864.114 190.464,954.052 190.947,1035.173 191.429,1114.929 191.911,1238.983 192.393,1417.292 192.875,1610.462 193.357,1780.508 193.839,1925.857 194.321,2014.724 194.803,2029.557 195.286,1970.375 195.768,1853.779 196.250,1668.618 196.732,1446.590 197.214,1236.979 197.696,1038.756 198.178,863.758 198.661,715.986 199.143,595.406 199.625,505.638 200.107,453.195 200.589,426.194 201.071,389.798 201.553,341.031 202.035,294.019 202.517,259.906 202.999,239.533 203.482,215.595 203.964,182.074 204.446,143.436 204.928,121.389 205.410,119.693 205.892,124.409 206.374,125.548 206.857,123.794 207.339,115.646 207.821,97.429 208.303,70.875 208.785,54.802 209.267,53.232 209.749,54.929 210.231,47.443 210.713,27.438 211.195,10.904 211.678,2.226 212.160,1.602 212.642,1.529 213.124,1.175 213.606,2.910 214.088,11.289 214.570,30.960 215.052,44.782 215.535,44.660 216.017,27.413 216.499,24.957 216.981,43.233 217.463,70.222 217.945,86.809 218.427,86.516 218.909,89.088 219.391,102.329 219.874,129.711 220.356,151.929 220.838,167.498 221.320,178.593 221.802,189.661 222.284,203.587 222.766,212.076 223.248,211.871 223.731,202.280 224.213,186.138 224.695,161.371 225.177,131.104 225.659,100.162 226.141,61.975 226.623,34.376 227.105,29.408 227.587,64.635 228.070,77.349 228.552,57.199 229.034,15.093 229.516,14.060 229.998,28.429 230.480,33.799 230.962,31.102 231.444,14.459 231.926,3.531 232.409,1.138 232.891,5.377 233.373,8.447 233.855,9.891 234.337,10.729 234.819,11.963 235.301,15.761 235.783,14.879 236.266,16.562 236.748,8.269 237.230,16.406 237.712,12.514 238.194,9.423 238.676,16.941 239.158,43.774 239.640,63.347 240.122,71.315 240.605,68.867 241.087,67.253 241.569,70.951 242.051,70.423 242.533,56.383 243.015,46.805 243.497,11.893 243.980,18.484 244.462,5.281 244.944,4.179 245.426,4.770 245.908,6.958 246.390,21.000 246.872,55.499 247.354,83.615 247.836,98.271 248.318,99.963 248.801,107.694 249.283,123.188 249.765,142.656 250.247,164.185 250.729,192.441 251.211,212.547 251.693,220.355 252.176,216.116 252.658,211.473 253.140,207.174 253.622,202.117 254.104,195.217 254.586,186.414 255.068,176.628 255.550,166.897 256.032,157.343 256.514,142.602 256.997,119.482 257.479,94.910 257.961,74.721 258.443,56.822 258.925,48.137 259.407,52.219 259.889,69.315 260.371,83.545 260.854,94.688 261.336,102.906 261.818,106.662 262.300,100.945 262.782,103.652 263.264,120.679 263.746,152.552 264.228,182.701 264.711,211.598 265.193,238.351 265.675,262.174 266.157,282.079 266.639,301.531 267.121,322.243 267.603,344.289 268.085,357.368 268.567,355.908 269.050,354.335 269.532,374.333 270.014,424.849 270.496,462.349 270.978,471.280 271.460,452.664 271.942,440.144 272.424,440.419 272.906,434.699 273.389,392.910 273.871,305.070 274.353,231.137 274.835,192.351 275.317,186.188 275.799,175.458 276.281,158.881 276.763,140.601 277.246,126.674 277.728,118.072 278.210,105.448 278.692,83.076 279.174,52.818 279.656,32.317 280.138,22.674 280.620,19.274 281.103,18.529 281.585,20.618 282.067,20.757 282.549,16.608 283.031,9.059 283.513,2.962 283.995,1.806 284.477,4.628 284.959,3.161 285.441,2.448 285.924,5.011 286.406,0.464 286.888,10.631 287.370,10.354 287.852,1.452 288.334,15.863 288.816,20.927 289.298,18.696 289.781,24.101 290.263,46.525 290.745,78.239 291.227,95.337 291.709,97.222 292.191,94.005 292.673,93.287 293.155,95.118 293.638,100.419 294.120,109.543 294.602,122.314 295.084,140.753 295.566,164.941 296.048,187.369 296.530,204.259 297.012,214.811 297.494,214.823 297.977,193.705 298.459,168.900 298.941,175.045 299.423,210.497 299.905,243.459 300.387,245.091 300.869,225.962 301.351,207.528 301.833,196.026 302.316,188.894 302.798,179.856 303.280,169.451 303.762,164.365 304.244,175.813 304.726,194.102 305.208,203.712 305.690,195.715 306.172,184.278 306.655,185.767 307.137,196.712 307.619,201.135 308.101,177.668 308.583,146.042 309.065,129.928 309.547,141.936 310.030,161.129 310.512,179.202 310.994,194.107 311.476,198.633 311.958,178.535 312.440,150.758 312.922,127.833 313.404,110.809 313.886,103.999 314.369,117.166 314.851,144.166 315.333,167.069 315.815,179.788 316.297,184.781 316.779,181.907 317.261,166.465 317.743,154.077 318.225,151.324 318.708,155.513 319.190,161.254 319.672,167.875 320.154,176.006 320.636,185.553 321.118,195.710 321.600,209.783 322.082,234.487 322.565,262.566 323.047,281.646 323.529,283.099 324.011,281.067 324.493,280.597 324.975,283.560 325.457,283.075 325.939,269.962 326.422,255.291 326.904,253.661 327.386,279.488 327.868,305.035 328.350,324.792 328.832,338.014 329.314,348.618 329.796,354.040 330.278,358.328 330.760,366.285 331.243,385.563 331.725,397.100 332.207,393.168 332.689,372.317 333.171,365.791 333.653,381.330 334.135,403.333 334.617,417.426 335.100,420.859 335.582,423.182 336.064,425.503 336.546,427.910 337.028,432.669 337.510,443.375 337.992,449.438 338.474,440.983 338.957,415.065 339.439,387.565 339.921,358.797 340.403,330.425 340.885,310.063 341.367,298.563 341.849,290.393 342.331,283.366 342.813,277.627 343.296,267.701 343.778,251.881 344.260,233.222 344.742,217.023 345.224,203.610 345.706,194.860 346.188,193.817 346.670,198.904 347.152,202.050 347.635,202.708 348.117,201.246 348.599,195.306 349.081,186.210 349.563,181.827 350.045,193.012 350.527,210.417 351.009,212.577 351.491,197.104 351.974,176.755 352.456,162.955 352.938,153.839 353.420,144.840 353.902,130.100 354.384,116.395 354.866,114.817 355.349,125.592 355.831,133.517 356.313,124.634 356.795,107.112 357.277,92.003 357.759,88.129 358.241,84.250 358.723,70.681 359.205,49.014 359.688,30.688 360.170,20.760 360.652,17.016 361.134,18.011 361.616,31.585 362.098,39.860 362.580,32.409 363.062,13.213 363.544,2.961 364.027,13.306 364.509,18.553 364.991,18.388 365.473,7.575 365.955,0.388 366.437,1.910 366.919,0.784 367.401,8.740 367.884,33.001 368.366,52.490 368.848,59.980 369.330,52.487 369.812,40.808 370.294,17.067 370.776,7.610 371.258,15.892 371.741,7.611 372.223,22.690 372.705,15.650 373.187,15.811 373.669,33.584 374.151,32.963 374.633,24.362 375.115,15.637 375.597,3.541 376.079,3.760 376.562,24.963 377.044,61.174 377.526,75.867 378.008,64.635 378.490,48.420 378.972,43.222 379.454,49.006 379.936,56.698 380.419,66.791 380.901,75.962 381.383,75.955 381.865,67.027 382.347,55.286 382.829,40.925 383.311,26.472 383.793,21.243 384.276,27.348 384.758,37.544 385.240,42.984 385.722,44.812 386.204,47.160 386.686,53.200 387.168,60.053 387.650,63.117 388.132,61.816 388.615,61.836 389.097,69.853 389.579,81.466 390.061,90.154 390.543,93.432 391.025,92.810 391.507,87.833 391.989,79.064 392.471,70.595 392.954,60.171 393.436,53.358 393.918,55.239 394.400,75.101 394.882,93.145 395.364,103.929 395.846,108.429 396.328,109.086 396.810,102.797 397.293,95.665 397.775,90.329 398.257,87.635 398.739,85.196 399.221,81.638 399.703,78.382 400.185,77.907 400.668,87.065 401.150,89.846 401.632,78.577 402.114,50.205 402.596,36.351 403.078,40.509 403.560,55.356 404.042,77.556 404.524,112.871 405.007,134.781 405.489,133.226 405.971,115.186 406.453,117.437 406.935,145.993 407.417,171.966 407.899,169.034 408.381,138.716 408.863,122.266 409.346,125.708 409.828,141.522 410.310,158.024 410.792,175.467 411.274,195.713 411.756,225.973 412.238,259.084 412.720,273.702 413.203,266.558 413.685,260.333 414.167,281.684 414.649,320.706 415.131,355.938 415.613,373.316 416.095,387.320 416.577,412.299 417.060,446.840 417.542,482.587 418.024,516.215 418.506,547.865 418.988,575.141 419.470,587.781 419.952,612.366 420.434,669.985 420.916,748.287 421.398,816.918 421.881,847.522 422.363,882.165 422.845,943.815 423.327,1051.098 423.809,1145.687 424.291,1217.031 424.773,1271.157 425.255,1316.597 425.738,1367.215 426.220,1390.005 426.702,1375.958 427.184,1326.262 427.666,1264.231 428.148,1191.169 428.630,1105.984 429.112,1001.515 429.595,864.556 430.077,745.250 430.559,647.979 431.041,576.252 431.523,537.369 432.005,534.826 432.487,539.747 432.969,538.939 433.451,532.515 433.934,518.269 434.416,493.341 434.898,475.163 435.380,491.707 435.862,535.904 436.344,577.364 436.826,597.402 437.308,611.569 437.790,647.423 438.273,704.128 438.755,759.834 439.237,793.950 439.719,819.898 440.201,853.803 440.683,899.338 441.165,954.626 441.647,1018.220 442.129,1091.314 442.612,1173.126 443.094,1253.830 443.576,1349.719 444.058,1475.082 444.540,1641.030 445.022,1797.612 445.504,1931.167 445.987,2050.024 446.469,2166.370 446.951,2324.500 447.433,2430.757 447.915,2464.972 448.397,2430.068 448.879,2364.285 449.361,2258.859 449.843,2132.952 450.326,1993.753 450.808,1836.113 451.290,1684.073 451.772,1539.663 452.254,1399.004 452.736,1251.423 453.218,1092.248 453.700,949.297 454.182,838.348 454.665,755.503 455.147,681.462 455.629,615.534 456.111,557.615 456.593,510.070 457.075,471.140 457.557,436.302 458.039,406.069 458.522,376.953 459.004,339.929 459.486,297.562 459.968,262.026 460.450,243.497 460.932,234.419 461.414,229.107 461.896,229.468 462.379,222.809 462.861,187.342 463.343,143.631 463.825,121.670 464.307,161.387 464.789,196.637 465.271,200.891 465.753,172.852 466.235,143.697 466.717,113.568 467.200,87.241 467.682,67.965 468.164,57.082 468.646,51.258 469.128,52.357 469.610,57.930 470.092,62.327 470.574,65.639 471.057,67.174 471.539,65.126 472.021,59.064 472.503,60.626 472.985,71.727 473.467,84.795 473.949,93.539 474.431,97.804 474.914,93.791 475.396,78.733 475.878,57.422 476.360,37.245 476.842,18.544 477.324,3.296 477.806,8.185 478.288,14.767 478.770,11.281 479.253,5.627 479.735,17.118 480.217,2.269 480.699,34.462 481.181,51.747 481.663,28.284 482.145,0.719 482.627,11.898 483.109,10.958 483.592,11.405 484.074,16.394 484.556,24.356 485.038,35.119 485.520,56.883 486.002,66.824 486.484,55.687 486.966,34.866 487.448,23.820 487.931,29.483 488.413,32.832 488.895,28.613 489.377,17.133 489.859,5.681 490.341,5.843 490.823,16.337 491.306,24.692 491.788,30.772 492.270,35.799 492.752,39.831 493.234,42.676 493.716,42.251 494.198,39.362 494.680,40.170 495.162,58.741 495.645,43.409 496.127,67.955 496.609,25.461 497.091,12.020 497.573,5.271 498.055,18.668 498.537,26.065 499.019,6.438 499.501,37.806 499.984,44.030 500.466,34.144 500.948,31.644 501.430,57.849 501.912,80.314 502.394,81.922 502.876,53.997 503.358,38.050 503.841,35.494 504.323,44.641 504.805,66.344 505.287,110.270 505.769,144.434 506.251,161.351 506.733,166.547 507.215,177.438 507.698,194.594 508.180,213.817 508.662,231.369 509.144,248.178 509.626,273.724 510.108,309.738 510.590,348.079 511.072,376.785 511.554,400.976 512.036,435.917 512.519,491.369 513.001,553.333 513.483,604.420 513.965,648.140 514.447,699.075 514.929,764.211 515.411,839.984 515.893,922.583 516.375,1010.143 516.858,1111.974 517.340,1257.276 517.822,1406.614 518.304,1520.971 518.786,1626.169 519.268,1656.457 519.750,1578.965 520.232,1416.887 520.715,1268.457 521.197,1137.748 521.679,1013.499 522.161,886.202 522.643,751.541 523.125,655.681 523.607,602.473 524.089,578.936 524.571,577.494 525.054,596.720 525.536,613.707 526.018,617.488 526.500,622.300 526.982,656.666 527.464,717.077 527.946,781.856 528.429,830.596 528.911,880.912 529.393,954.451 529.875,1054.135 530.357,1164.252 530.839,1288.771 531.321,1413.801 531.803,1526.153 532.286,1640.046 532.768,1721.056 533.250,1759.744 533.732,1758.658 534.214,1730.023 534.696,1674.017 535.178,1591.897 535.660,1480.980 536.142,1338.844 536.625,1184.774 537.107,1004.279 537.589,836.267 538.071,723.720 538.553,670.416 539.035,622.316 539.517,574.356 539.999,527.566 540.481,474.352 540.964,417.375 541.446,382.936 541.928,405.707 542.410,452.297 542.892,463.177 543.374,437.597 543.856,410.629 544.338,411.241 544.820,423.039 545.303,427.145 545.785,414.932 546.267,401.964 546.749,389.679 547.231,381.438 547.713,383.711 548.195,413.519 548.677,437.615 549.159,445.106 549.642,436.087 550.124,429.223 550.606,428.713 551.088,424.879 551.570,408.138 552.052,373.425 552.534,353.929 553.016,353.417 553.499,362.522 553.981,373.438 554.463,386.601 554.945,388.048 555.427,364.491 555.909,330.890 556.391,318.439 556.873,325.282 557.356,329.719 557.838,305.753 558.320,279.091 558.802,282.076 559.284,325.699 559.766,361.783 560.248,357.441 560.730,337.020 561.213,328.164 561.695,344.117 562.177,363.433 562.659,385.631 563.141,408.635 563.623,424.543 564.105,422.404 564.587,430.224 565.069,462.067 565.552,519.949 566.034,565.194 566.516,595.229 566.998,621.375 567.480,648.061 567.962,677.619 568.444,729.893 568.926,814.770 569.408,910.016 569.891,984.079 570.373,1044.615 570.855,1117.009 571.337,1226.490 571.819,1342.952 572.301,1435.807 572.783,1507.672 573.265,1588.500 573.747,1683.225 574.230,1796.784 574.712,1936.884 575.194,2120.439 575.676,2293.622 576.158,2455.454 576.640,2606.780 577.122,2745.715 577.604,2881.033 578.086,2989.202 578.569,3057.411 579.051,3099.409 579.533,3165.366 580.015,3259.105 580.497,3347.417 580.979,3404.812 581.461,3441.548 581.943,3489.157 582.426,3547.600 582.908,3629.837 583.390,3766.656 583.872,3929.604 584.354,4072.980 584.836,4186.331 585.318,4277.624 585.800,4347.511 586.282,4398.734 586.765,4434.651 587.247,4479.121 587.729,4487.166 588.211,4441.593 588.693,4341.750 589.175,4211.497 589.657,4032.602 590.140,3848.272 590.622,3675.620 591.104,3509.808 591.586,3383.266 592.068,3301.718 592.550,3242.759 593.032,3174.396 593.514,3102.120 593.996,3060.814 594.479,3066.534 594.961,3092.197 595.443,3122.894 595.925,3148.226 596.407,3129.590 596.889,3028.666 597.371,2888.177 597.853,2739.268 598.335,2584.221 598.818,2409.944 599.300,2181.062 599.782,1952.410 600.264,1763.069 600.746,1638.360 601.228,1515.537 601.710,1387.897 602.192,1267.155 602.674,1170.241 603.157,1108.418 603.639,1039.197 604.121,946.497 604.603,845.230 605.085,787.355 605.567,771.559 606.049,763.813 606.531,750.061 607.013,731.707 607.496,709.965 607.978,684.943 608.460,658.861 608.942,631.525 609.424,604.771 609.906,581.902 610.388,566.695 610.870,547.469 611.353,514.102 611.835,476.039 612.317,445.657 612.799,429.430 613.281,415.171 613.763,401.902 614.245,389.555 614.727,377.923 615.209,367.818 615.692,355.944 616.174,336.620 616.656,312.633 617.138,312.627 617.620,338.591 618.102,360.099 618.584,341.810 619.067,301.829 619.549,279.114 620.031,284.687 620.513,289.825 620.995,271.209 621.477,239.119 621.959,208.459 622.441,179.032 622.923,156.669 623.406,145.481 623.888,143.346 624.370,141.614 624.852,138.673 625.334,138.155 625.816,143.879 626.298,155.812 626.780,152.578 627.263,130.032 627.745,107.427 628.227,106.872 628.709,121.766 629.191,112.230 629.673,69.926 630.155,26.904 630.637,20.410 631.119,37.198 631.602,53.933 632.084,70.007 632.566,75.150 633.048,52.393 633.530,14.208 634.012,9.289 634.494,3.452 634.976,18.237 635.458,22.547 635.941,16.999 636.423,19.673 636.905,35.384 637.387,50.583 637.869,58.217 638.351,58.132 638.833,51.012 639.315,35.960 639.797,17.807 640.280,0.516 640.762,15.658 641.244,30.214 641.726,44.007 642.208,53.579 642.690,54.862 643.172,49.561 643.654,40.754 644.137,21.139 644.619,6.444 645.101,7.452 645.583,21.131 646.065,24.777 646.547,5.815 647.029,8.995 647.511,8.373 647.994,8.911 648.476,24.284 648.958,39.948 649.440,47.625 649.922,32.726 650.404,1.119 650.886,11.002 651.368,4.032 651.851,21.316 652.333,5.605 652.815,25.032 653.297,37.713 653.779,1.766 654.261,29.742 654.743,22.981 655.225,8.243 655.707,30.446 656.190,25.815 656.672,24.015 657.154,39.051 657.636,26.829 658.118,65.087 658.600,17.255 659.082,25.881 659.564,29.124 660.046,3.680 660.529,8.932 661.011,16.685 661.493,43.815 661.975,44.455 662.457,27.004 662.939,4.065 663.421,25.899 663.903,48.777 664.385,48.833 664.868,38.419 665.350,34.201 665.832,41.342 666.314,54.710 666.796,86.096 667.278,122.308 667.760,125.503 668.242,73.234 668.724,36.395 669.207,39.702 669.689,76.354 670.171,114.642 670.653,155.128 671.135,179.562 671.617,161.131 672.099,121.516 672.581,100.277 673.064,99.911 673.546,115.378 674.028,162.787 674.510,213.799 674.992,240.370 675.474,225.947 675.956,211.874 676.438,209.055 676.920,210.920 677.403,209.084 677.885,198.021 678.367,195.985 678.849,209.389 679.331,230.116 679.813,237.396 680.295,230.647 680.778,229.296 681.260,247.633 681.742,270.998 682.224,265.695 682.706,238.480 683.188,224.532 683.670,262.442 684.152,307.878 684.634,325.228 685.117,310.456 685.599,302.288 686.081,326.214 686.563,347.069 687.045,341.022 687.527,291.685 688.009,269.675 688.491,283.307 688.973,311.805 689.456,334.580 689.938,351.889 690.420,366.975 690.902,380.220 691.384,390.700 691.866,399.458 692.348,405.828 692.830,403.286 693.312,374.008 693.795,350.597 694.277,360.023 694.759,390.557 695.241,409.508 695.723,389.145 696.205,378.200 696.687,394.739 697.169,434.390 697.652,460.045 698.134,470.573 698.616,469.310 699.098,449.331 699.580,416.378 700.062,414.959 700.544,446.853 701.026,478.676 701.508,481.476 701.991,469.468 702.473,460.104 702.955,455.630 703.437,448.575 703.919,433.156 704.401,417.071 704.883,405.970 705.365,393.099 705.847,393.991 706.330,419.773 706.812,450.842 707.294,454.210 707.776,424.732 708.258,414.871 708.740,444.231 709.222,481.192 709.705,455.808 710.187,384.889 710.669,329.849 711.151,330.559 711.633,348.238 712.115,355.186 712.597,353.751 713.079,346.023 713.561,324.115 714.044,300.268 714.526,281.509 715.008,268.441 715.490,245.828 715.972,203.989 716.454,169.441 716.936,158.626 717.418,172.999 717.901,191.626 718.383,213.178 718.865,226.829 719.347,214.437 719.829,192.104 720.311,190.013 720.793,218.515 721.275,242.668 721.757,240.405 722.240,222.119 722.722,198.723 723.204,159.817 723.686,133.030 724.168,123.463 724.650,123.949 725.132,125.351 725.614,128.677 726.096,124.888 726.579,107.622 727.061,88.587 727.543,93.664 728.025,118.290 728.507,142.731 728.989,167.491 729.471,180.297 729.953,158.925 730.435,114.206 730.918,85.509 731.400,105.433 731.882,126.167 732.364,132.185 732.846,123.808 733.328,97.728 733.810,42.386 734.292,5.362 734.775,21.526 735.257,9.863 735.739,12.545 736.221,30.155 736.703,44.654 737.185,40.016 737.667,23.808 738.149,4.489 738.631,17.662 739.114,36.153 739.596,47.458 740.078,53.823 740.560,56.374 741.042,48.674 741.524,51.062 742.006,68.422 742.489,90.785 742.971,105.453 743.453,111.329 743.935,124.660 744.417,148.113 744.899,178.110 745.381,216.572 745.863,257.614 746.345,286.642 746.828,290.651 747.310,291.581 747.792,306.374 748.274,326.949 748.756,337.596 749.238,326.338 749.720,315.351 750.202,308.314 750.684,304.723 751.167,303.269 751.649,305.119 752.131,304.706 752.613,293.387 753.095,283.474 753.577,314.974 754.059,380.698 754.541,435.127 755.023,443.781 755.506,438.443 755.988,440.928 756.470,451.669 756.952,467.453 757.434,481.991 757.916,506.305 758.398,552.146 758.880,621.713 759.362,648.765 759.845,620.894 760.327,592.177 760.809,611.327 761.291,663.166 761.773,684.266 762.255,671.851 762.737,646.547 763.219,613.627 763.702,582.711 764.184,563.028 764.666,556.111 765.148,560.871 765.630,593.596 766.112,626.523 766.594,636.855 767.076,614.494 767.558,598.114 768.041,589.610 768.523,583.229 769.005,571.696 769.487,555.729 769.969,539.947 770.451,524.226 770.933,511.320 771.416,502.476 771.898,498.492 772.380,501.270 772.862,524.080 773.344,535.749 773.826,527.809 774.308,504.170 774.790,467.927 775.272,410.458 775.755,364.396 776.237,334.259 776.719,318.443 777.201,322.045 777.683,340.876 778.165,346.722 778.647,323.105 779.129,292.552 779.612,276.060 780.094,270.149 780.576,266.859 781.058,263.922 781.540,263.305 782.022,262.491 782.504,262.319 782.986,268.317 783.468,286.044 783.951,291.844 784.433,272.703 784.915,239.966 785.397,230.979 785.879,242.271 786.361,250.113 786.843,238.417 787.325,219.859 787.807,200.523 788.290,183.208 788.772,178.961 789.254,223.096 789.736,247.971 790.218,213.694 790.700,129.179 791.182,100.394 791.664,143.369 792.146,185.866 792.629,182.720 793.111,149.436 793.593,136.600 794.075,142.836 794.557,157.749 795.039,183.020 795.521,210.302 796.003,231.687 796.485,245.342 796.968,242.754 797.450,192.325 797.932,156.207 798.414,174.258 798.896,253.958 799.378,273.444 799.860,219.248 800.343,153.483 800.825,116.757 801.307,105.341 801.789,119.119 802.271,157.584 802.753,188.333 803.235,182.587 803.717,164.869 804.199,154.010 804.682,153.691 805.164,153.194 805.646,155.587 806.128,152.851 806.610,137.342 807.092,107.152 807.574,84.316 808.056,68.496 808.539,62.782 809.021,79.617 809.503,106.207 809.985,119.468 810.467,115.706 810.949,108.732 811.431,102.189 811.913,98.084 812.395,98.277 812.878,104.219 813.360,111.074 813.842,121.614 814.324,129.154 814.806,125.986 815.288,113.427 815.770,102.564 816.252,94.627 816.734,84.839 817.217,59.562 817.699,33.820 818.181,31.995 818.663,68.438 819.145,90.229 819.627,57.356 820.109,17.266 820.591,10.844 821.073,57.035 821.556,78.399 822.038,69.067 822.520,49.131 823.002,38.067 823.484,34.042 823.966,28.077 824.448,17.260 824.930,16.068 825.413,48.869 825.895,89.982 826.377,111.617 826.859,94.301 827.341,89.983 827.823,116.245 828.305,142.938 828.787,138.985 829.269,100.045 829.752,78.760 830.234,80.544 830.716,90.112 831.198,95.538 831.680,95.905 832.162,86.535 832.644,62.578 833.127,47.506 833.609,63.207 834.091,87.448 834.573,98.571 835.055,88.465 835.537,83.899 836.019,88.029 836.501,91.942 836.983,88.620 837.466,77.587 837.948,49.372 838.430,0.501 838.912,38.196 839.394,21.696 839.876,17.062 840.358,41.812 840.840,38.957 841.322,42.224 841.805,66.216 842.287,91.787 842.769,106.882 843.251,112.529 843.733,94.969 844.215,47.797 844.697,6.438 845.179,17.371 845.661,57.024 846.144,76.118 846.626,64.991 847.108,58.584 847.590,89.538 848.072,123.751 848.554,130.684 849.036,95.306 849.518,76.905 850.000,81.765 850.483,91.646 850.965,97.581 851.447,97.199 851.929,66.896 852.411,71.571 852.893,48.850 853.375,50.448 853.857,28.947 854.340,5.680 854.822,20.521 855.304,21.410 855.786,44.196 856.268,34.091 856.750,98.415 857.232,35.101 857.714,14.135 858.196,50.168 858.679,67.073 859.161,40.089 859.643,0.497 860.125,2.159 860.607,50.288 861.089,87.364 861.571,70.938 862.054,47.491 862.536,49.351 863.018,78.028 863.500,80.748 863.982,49.451 864.464,16.438 864.946,2.264 865.428,7.109 865.910,4.422 866.393,30.843 866.875,57.357 867.357,81.399 867.839,96.959 868.321,96.860 868.803,81.486 869.285,65.770 869.767,52.181 870.250,36.995 870.732,26.609 871.214,7.565 871.696,9.562 872.178,8.658 872.660,6.623 873.142,19.960 873.624,12.463 874.106,22.070 874.589,39.346 875.071,46.660 875.553,26.341 876.035,11.547 876.517,8.291 876.999,12.365 877.481,29.400 877.963,62.984 878.445,85.282 878.928,80.688 879.410,68.729 879.892,85.937 880.374,118.018 880.856,136.666 881.338,115.373 881.820,97.735 882.302,102.079 882.784,119.758 883.267,135.438 883.749,152.730 884.231,153.270 884.713,127.609 885.195,97.322 885.677,99.699 886.159,127.702 886.641,159.784 887.123,193.969 887.606,220.491 888.088,225.983 888.570,220.579 889.052,217.572 889.534,218.761 890.016,225.051 890.498,240.117 890.981,258.383 891.463,266.203 891.945,265.769 892.427,275.937 892.909,303.035 893.391,335.939 893.873,364.017 894.355,386.515 894.837,404.943 895.320,420.705 895.802,427.972 896.284,417.993 896.766,410.168 897.248,425.127 897.730,462.158 898.212,481.508 898.694,482.917 899.177,471.049 899.659,430.426 900.141,391.213 900.623,395.938 901.105,446.632 901.587,471.774 902.069,426.725 902.551,381.703 903.033,365.680 903.516,373.865 903.998,358.518 904.480,318.430 904.962,288.487 905.444,301.423 905.926,326.227 906.408,316.658 906.890,282.365 907.372,255.960 907.855,256.191 908.337,258.851 908.819,258.846 909.301,255.499 909.783,244.776 910.265,225.012 910.747,211.215 911.229,211.613 911.711,219.396 912.194,224.137 912.676,226.833 913.158,230.116 913.640,230.875 914.122,232.729 914.604,251.973 915.086,272.374 915.568,265.089 916.050,218.780 916.533,193.547 917.015,199.051 917.497,211.564 917.979,207.018 918.461,188.580 918.943,156.097 919.425,104.609 919.907,70.624 920.390,86.733 920.872,115.473 921.354,129.914 921.836,127.169 922.318,125.467 922.800,124.401 923.282,124.242 923.764,128.107 924.247,131.774 924.729,123.477 925.211,104.291 925.693,90.814 926.175,94.417 926.657,102.570 927.139,112.713 927.621,122.788 928.104,120.306 928.586,101.054 929.068,87.310 929.550,94.689 930.032,107.107 930.514,75.815 930.996,19.240 931.478,8.659 931.960,61.213 932.443,113.509 932.925,78.388 933.407,4.093 933.889,20.703 934.371,22.743 934.853,46.725 935.335,36.530 935.817,44.205 936.299,15.818 936.782,36.693 937.264,31.960 937.746,10.503 938.228,43.919 938.710,37.557 939.192,18.075 939.674,6.599 940.156,4.494 940.638,6.181 941.121,12.688 941.603,18.608 942.085,22.416 942.567,21.942 943.049,10.107 943.531,12.004 944.013,32.553 944.495,53.318 944.978,63.071 945.460,52.158 945.942,24.911 946.424,3.555 946.906,36.642 947.388,50.021 947.870,24.129 948.352,12.822 948.834,1.008 949.317,38.062 949.799,52.726 950.281,13.076 950.763,63.767 951.245,60.376 951.727,30.901 952.209,11.593 952.692,6.042 953.174,14.851 953.656,56.258 954.138,103.758 954.620,155.558 955.102,197.096 955.584,194.723 956.066,132.713 956.548,94.603 957.031,137.323 957.513,186.334 957.995,196.788 958.477,167.845 958.959,169.512 959.441,203.599 959.923,239.870 960.405,253.752 960.888,262.696 961.370,295.483 961.852,344.202 962.334,376.004 962.816,348.029 963.298,342.348 963.780,384.648 964.262,455.912 964.744,507.080 965.227,539.762 965.709,589.869 966.191,675.890 966.673,758.215 967.155,773.744 967.637,770.189 968.119,810.920 968.601,936.112 969.083,1056.911 969.566,1169.218 970.048,1276.144 970.530,1382.865 971.012,1487.113 971.494,1577.075 971.976,1652.085 972.458,1754.741 972.940,1937.651 973.422,2141.710 973.905,2313.613 974.387,2452.724 974.869,2648.813 975.351,2938.614 975.833,3212.385 976.315,3426.602 976.797,3607.340 977.279,3812.205 977.761,4035.232 978.244,4264.105 978.726,4514.930 979.208,4743.082 979.690,4906.762 980.172,5039.814 980.654,5196.293 981.136,5387.682 981.619,5573.555 982.101,5758.109 982.583,5906.926 983.065,5965.830 983.547,5967.352 984.029,5982.102 984.511,6019.400 984.993,6012.371 985.475,5865.699 985.958,5730.625 986.440,5700.858 986.922,5762.396 987.404,5735.337 987.886,5612.971 988.368,5499.716 988.850,5451.364 989.332,5433.221 989.815,5412.689 990.297,5389.104 990.779,5363.875 991.261,5301.446 991.743,5286.318 992.225,5343.320 992.707,5441.490 993.189,5547.285 993.671,5659.362 994.154,5738.381 994.636,5771.578 995.118,5851.961 995.600,6098.757 996.082,6402.678 996.564,6666.596 997.046,6873.020 997.528,7062.629 998.010,7210.774 998.493,7403.254 998.975,7697.326 999.457,8062.115 999.939,8392.797 1000.421,8700.604 1000.903,9039.317 1001.385,9450.791 1001.867,9876.049 1002.349,10283.312 1002.832,10686.899 1003.314,11105.792 1003.796,11554.638 1004.278,11993.174 1004.760,12433.033 1005.242,12807.352 1005.724,13046.988 1006.206,13170.979 1006.689,13229.176 1007.171,13238.473 1007.653,13104.962 1008.135,12774.964 1008.617,12300.902 1009.099,11671.135 1009.581,10909.407 1010.063,10175.333 1010.545,9461.192 1011.028,8738.514 1011.510,7949.084 1011.992,7196.111 1012.474,6578.494 1012.956,6066.841 1013.438,5605.659 1013.920,5183.428 1014.402,4805.749 1014.885,4478.952 1015.367,4184.393 1015.849,3899.551 1016.331,3628.710 1016.813,3398.767 1017.295,3214.604 1017.777,3041.878 1018.259,2840.747 1018.741,2664.382 1019.224,2560.240 1019.706,2520.396 1020.188,2438.694 1020.670,2308.984 1021.152,2198.686 1021.634,2144.028 1022.116,2118.552 1022.598,2096.979 1023.081,2075.259 1023.563,2045.301 1024.045,1988.996 1024.527,1947.064 1025.009,1932.547 1025.491,1920.674 1025.973,1877.064 1026.455,1806.999 1026.938,1759.719 1027.420,1738.825 1027.902,1717.235 1028.384,1686.432 1028.866,1638.095 1029.348,1552.834 1029.830,1434.639 1030.312,1358.382 1030.794,1334.830 1031.276,1312.716 1031.759,1274.679 1032.241,1229.110 1032.723,1190.670 1033.205,1156.195 1033.687,1118.762 1034.169,1085.665 1034.651,1032.620 1035.133,933.905 1035.616,831.665 1036.098,763.788 1036.580,729.821 1037.062,674.277 1037.544,594.754 1038.026,529.114 1038.508,516.847 1038.990,517.271 1039.473,498.238 1039.955,460.908 1040.437,424.652 1040.919,389.859 1041.401,359.612 1041.883,338.511 1042.365,315.545 1042.847,267.664 1043.329,204.676 1043.812,144.574 1044.294,85.678 1044.776,51.300 1045.258,80.438 1045.740,110.993 1046.222,98.065 1046.704,42.874 1047.186,31.334 1047.668,62.703 1048.151,83.630 1048.633,44.627 1049.115,4.897 1049.597,22.718 1050.079,17.599 1050.561,14.413 1051.043,24.267 1051.525,14.770 1052.008,25.398 1052.490,27.736 1052.972,33.583 1053.454,51.226 1053.936,58.159 1054.418,99.687 1054.900,129.313 1055.382,105.312 1055.865,85.671 1056.347,102.311 1056.829,146.300 1057.311,171.579 1057.793,177.815 1058.275,161.711 1058.757,107.469 1059.239,54.251 1059.721,50.057 1060.203,65.239 1060.686,54.242 1061.168,18.408 1061.650,41.033 1062.132,1.403 1062.614,50.004 1063.096,55.321 1063.578,30.027 1064.060,10.599 1064.543,61.064 1065.025,94.142 1065.507,88.232 1065.989,74.376 1066.471,61.292 1066.953,46.807 1067.435,20.273 1067.917,15.262 1068.400,23.530 1068.882,8.290 1069.364,42.077 1069.846,51.956 1070.328,46.426 1070.810,26.987 1071.292,7.567 1071.774,17.952 1072.256,3.100 1072.739,15.398 1073.221,6.959 1073.703,44.142 1074.185,68.896 1074.667,81.864 1075.149,84.874 1075.631,57.406 1076.113,51.212 1076.596,74.890 1077.078,114.591 1077.560,169.276 1078.042,230.455 1078.524,238.556 1079.006,194.230 1079.488,152.970 1079.970,140.391 1080.453,149.966 1080.935,186.614 1081.417,242.405 1081.899,297.883 1082.381,351.896 1082.863,413.596 1083.345,488.085 1083.827,558.133 1084.309,594.228 1084.792,620.093 1085.274,668.140 1085.756,752.649 1086.238,811.134 1086.720,837.618 1087.202,848.541 1087.684,855.691 1088.166,850.975 1088.648,805.080 1089.131,730.689 1089.613,665.305 1090.095,626.830 1090.577,596.133 1091.059,580.557 1091.541,560.225 1092.023,507.502 1092.505,426.402 1092.988,362.789 1093.470,319.961 1093.952,305.857 1094.434,364.344 1094.916,417.258 1095.398,396.314 1095.880,325.084 1096.362,297.355 1096.844,321.184 1097.327,339.645 1097.809,341.789 1098.291,331.814 1098.773,302.254 1099.255,270.268 1099.737,259.676 1100.219,278.535 1100.701,292.986 1101.183,302.363 1101.666,304.592 1102.148,297.094 1102.630,283.482 1103.112,265.186 1103.594,247.941 1104.076,247.803 1104.558,281.619 1105.040,314.938 1105.523,350.826 1106.005,370.676 1106.487,347.820 1106.969,286.650 1107.451,262.145 1107.933,274.168 1108.415,287.295 1108.897,271.291 1109.380,257.291 1109.862,271.320 1110.344,299.197 1110.826,307.432 1111.308,294.174 1111.790,273.049 1112.272,242.305 1112.754,228.602 1113.236,279.135 1113.719,346.820 1114.201,381.781 1114.683,379.092 1115.165,372.525 1115.647,357.926 1116.129,356.016 1116.611,372.658 1117.093,406.201 1117.575,463.467 1118.058,532.477 1118.540,593.805 1119.022,643.801 1119.504,672.838 1119.986,658.801 1120.468,660.336 1120.950,727.891 1121.432,838.090 1121.915,876.572 1122.397,859.711 1122.879,871.104 1123.361,976.004 1123.843,1091.492 1124.325,1185.705 1124.807,1276.213 1125.289,1374.600 1125.771,1480.246 1126.254,1634.775 1126.736,1838.457 1127.218,2049.959 1127.700,2245.615 1128.182,2433.924 1128.664,2642.787 1129.146,2848.549 1129.628,2980.730 1130.110,3034.646 1130.593,3031.322 1131.075,2975.076 1131.557,2856.979 1132.039,2619.457 1132.521,2345.047 1133.003,2119.170 1133.485,1952.975 1133.967,1827.082 1134.450,1747.621 1134.932,1676.443 1135.414,1592.855 1135.896,1527.088 1136.378,1544.006 1136.860,1613.506 1137.342,1675.217 1137.824,1696.916 1138.307,1772.076 1138.789,1926.508 1139.271,2106.803 1139.753,2287.510 1140.235,2470.490 1140.717,2664.453 1141.199,2863.215 1141.681,3039.258 1142.163,3228.727 1142.646,3324.416 1143.128,3284.506 1143.610,3156.891 1144.092,2971.473 1144.574,2728.416 1145.056,2434.652 1145.538,2095.465 1146.020,1783.439 1146.502,1541.031 1146.985,1340.117 1147.467,1190.869 1147.949,1067.912 1148.431,922.992 1148.913,755.191 1149.395,633.861 1149.877,568.926 1150.359,525.061 1150.842,474.930 1151.324,431.586 1151.806,406.270 1152.288,397.111 1152.770,393.238 1153.252,396.959 1153.734,379.176 1154.216,324.924 1154.698,271.234 1155.181,272.131 1155.663,290.400 1156.145,279.131 1156.627,224.900 1157.109,205.238 1157.591,232.256 1158.073,247.992 1158.555,220.934 1159.037,180.703 1159.520,174.383 1160.002,185.830 1160.484,186.541 1160.966,162.465 1161.448,147.809 1161.930,146.424 1162.412,149.824 1162.894,149.258 1163.377,146.557 1163.859,158.773 1164.341,179.723 1164.823,188.430 1165.305,180.012 1165.787,149.582 1166.269,82.229 1166.751,22.936 1167.234,27.502 1167.716,72.912 1168.198,87.580 1168.680,72.561 1169.162,51.238 1169.644,23.879 1170.126,8.172 1170.608,12.703 1171.090,23.896 1171.573,14.795 1172.055,5.779 1172.537,6.234 1173.019,54.830 1173.501,106.744 1173.983,161.781 1174.465,184.316 1174.947,147.305 1175.430,83.391 1175.912,69.582 1176.394,100.875 1176.876,158.148 1177.358,247.279 1177.840,290.627 1178.322,190.594 1178.804,76.928 1179.286,28.051 1179.769,32.877 1180.251,38.910 1180.733,46.910 1181.215,70.477 1181.697,121.432 1182.179,164.742 1182.661,173.059 1183.143,164.969 1183.625,152.922 1184.108,138.105 1184.590,148.020 1185.072,180.312 1185.554,194.168 1186.036,159.330 1186.518,122.039 1187.000,122.266 1187.482,105.590 1187.965,137.506 1188.447,117.104 1188.929,125.045 1189.411,162.820 1189.893,182.223 1190.375,132.248 1190.857,73.061 1191.339,53.859 1191.822,59.924 1192.304,64.668 1192.786,66.434 1193.268,69.887 1193.750,75.232 1194.232,81.178 1194.714,96.104 1195.196,102.275 1195.678,76.283 1196.161,29.443 1196.643,6.600 1197.125,30.074 1197.607,44.037 1198.089,48.404 1198.571,51.930 1199.053,75.539 1199.535,91.266 1200.017,56.104 1200.500,15.533 1200.982,39.510 1201.464,3.154 1201.946,17.947 1202.428,14.539 1202.910,59.326 1203.392,86.916 1203.874,103.387 1204.357,117.338 1204.839,112.508 1205.321,117.697 1205.803,79.916 1206.285,40.199 1206.767,0.580 1207.249,24.668 1207.731,17.850 1208.214,14.199 1208.696,69.893 1209.178,146.883 1209.660,181.242 1210.142,165.602 1210.624,137.818 1211.106,105.512 1211.588,77.824 1212.070,63.094 1212.552,62.186 1213.035,80.330 1213.517,123.113 1213.999,153.607 1214.481,172.012 1214.963,173.654 1215.445,152.904 1215.927,120.701 1216.409,79.832 1216.892,42.131 1217.374,29.363 1217.856,15.335 1218.338,6.940 1218.820,23.752 1219.302,9.023 1219.784,33.283 1220.266,40.820 1220.749,3.615 1221.231,50.512 1221.713,74.832 1222.195,48.994 1222.677,45.715 1223.159,69.857 1223.641,85.998 1224.123,61.008 1224.605,25.236 1225.088,8.646 1225.570,7.555 1226.052,18.053 1226.534,46.867 1227.016,60.354 1227.498,56.814 1227.980,47.301 1228.462,37.416 1228.944,27.674 1229.427,19.186 1229.909,11.119 1230.391,0.814 1230.873,26.168 1231.355,16.031 1231.837,34.941 1232.319,95.934 1232.801,166.209 1233.284,215.451 1233.766,197.496 1234.248,138.059 1234.730,108.432 1235.212,117.830 1235.694,112.494 1236.176,86.479 1236.658,66.475 1237.141,62.023 1237.623,81.340 1238.105,163.439 1238.587,268.961 1239.069,281.293 1239.551,182.582 1240.033,126.662 1240.515,132.941 1240.997,140.773 1241.479,84.246 1241.962,25.658 1242.444,19.164 1242.926,47.842 1243.408,61.000 1243.890,58.756 1244.372,58.895 1244.854,63.061 1245.336,83.084 1245.819,153.562 1246.301,217.482 1246.783,217.527 1247.265,245.258 1247.747,249.619 1248.229,221.445 1248.711,237.783 1249.193,202.359 1249.676,166.613 1250.158,155.979 1250.640,153.359 1251.122,147.051 1251.604,141.838 1252.086,158.260 1252.568,200.777 1253.050,225.818 1253.532,226.025 1254.015,206.479 1254.497,133.029 1254.979,85.977 1255.461,110.547 1255.943,173.943 1256.425,189.686 1256.907,168.736 1257.389,157.086 1257.871,156.199 1258.354,163.945 1258.836,228.836 1259.318,271.689 1259.800,253.160 1260.282,204.756 1260.764,204.385 1261.246,228.215 1261.728,204.834 1262.211,104.701 1262.693,36.518 1263.175,43.168 1263.657,52.084 1264.139,54.266 1264.621,51.367 1265.103,12.201 1265.585,38.363 1266.068,48.115 1266.550,1.076 1267.032,34.027 1267.514,40.938 1267.996,46.031 1268.478,55.514 1268.960,72.473 1269.442,97.832 1269.924,135.889 1270.407,179.377 1270.889,231.016 1271.371,255.684 1271.853,241.660 1272.335,232.980 1272.817,251.299 1273.299,268.400 1273.781,238.041 1274.264,196.205 1274.746,190.508 1275.228,223.826 1275.710,256.672 1276.192,294.719 1276.674,303.775 1277.156,257.049 1277.638,210.551 1278.120,215.010 1278.603,238.180 1279.085,252.918 1279.567,252.523 1280.049,241.873 1280.531,223.662 1281.013,177.496 1281.495,101.512 1281.977,64.857 1282.459,99.064 1282.942,148.184 1283.424,175.180 1283.906,181.311 1284.388,188.723 1284.870,195.156 1285.352,190.664 1285.834,167.967 1286.316,143.680 1286.799,107.090 1287.281,93.773 1287.763,139.188 1288.245,111.231 1288.727,193.092 1289.209,122.953 1289.691,87.291 1290.173,116.639 1290.656,153.799 1291.138,201.523 1291.620,235.525 1292.102,249.143 1292.584,236.586 1293.066,149.701 1293.548,37.033 1294.030,3.074 1294.512,73.078 1294.995,111.516 1295.477,54.018 1295.959,0.000 ##MOLFORM=Be Ca F0.48 H0.52 O4.52 P ##RESOLUTION=4 ##PRESSURE=100 ##TEMPERATURE=26.85 ##END=