##TITLE=3500279
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##SOURCE REFERENCE=http://solsa.crystallography.net/rod/3500279.rod
##OWNER=PUBLIC DOMAIN
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1492.21,1.7584462 1493.175,1.6838356 1494.139,1.6007222 1495.103,1.5167923 
1496.067,1.4318169 1497.031,1.3196958 1497.996,1.2859186 1498.96,1.4247122 
1499.924,1.7999476 1500.8879,2.0385478 1501.853,1.9453177 1502.817,1.5523244 
1503.781,1.2257212 1504.745,1.11834 1505.71,1.1605074 1506.674,1.1910329 
1507.6379,1.080772 1508.6021,0.94095147 1509.567,0.90214312 1510.531,1.1671375 
1511.495,1.4885575 1512.459,1.6815271 1513.423,1.5560443 1514.3879,1.3879555 
1515.3521,1.3315816 1516.316,1.4655002 1517.28,1.6056195 1518.245,1.6501007 
1519.209,1.5793165 1520.173,1.4901354 1521.137,1.4258468 1522.1021,1.3847456 
1523.066,1.3781761 1524.03,1.4744254 1524.994,1.6460505 1525.958,1.7389222 
1526.923,1.5514629 1527.887,1.1865196 1528.851,0.91504866 1529.8149,0.95916456 
1530.78,1.1808405 1531.744,1.3312199 1532.708,1.2452834 1533.672,1.074802 
1534.637,1.0314294 1535.601,1.2139075 1536.5649,1.4661071 1537.5291,1.6095212 
1538.494,1.6331507 1539.458,1.5943083 1540.422,1.527279 1541.386,1.4110286 
1542.35,1.2700168 1543.3149,1.1233462 1544.2791,0.98180526 1545.243,0.88538235 
1546.207,0.84905183 1547.172,0.86770076 1548.136,0.9357239 1549.1,1.0957682 
1550.064,1.3300571 1551.0291,1.4507594 1551.993,1.3917726 1552.957,1.2170659 
1553.921,1.1588018 1554.885,1.264412 1555.85,1.4523144 1556.814,1.5331188 
1557.778,1.4724081 1558.7419,1.3431648 1559.707,1.2443542 1560.671,1.1781418 
1561.635,1.1720741 1562.599,1.2275776 1563.564,1.3200997 1564.528,1.478024 
1565.4919,1.7676792 1566.4561,2.3079445 1567.421,2.7413018 1568.385,2.9068012 
1569.349,2.6204512 1570.313,2.7533531 1571.277,3.5080521 1572.2419,4.9197493 
1573.2061,5.8696237 1574.17,6.2895641 1575.134,6.2492924 1576.099,5.9821534 
1577.063,5.303494 1578.027,4.4736977 1578.991,3.8034551 1579.9561,3.4185576 
1580.92,3.0873668 1581.884,2.6999481 1582.848,2.1400292 1583.813,1.6679547 
1584.777,1.3495222 1585.741,1.2068406 1586.705,1.1378365 1587.6689,1.1398391 
1588.634,1.2412957 1589.598,1.2940873 1590.562,1.2766349 1591.526,1.2128034 
1592.491,1.198661 1593.455,1.2902396 1594.4189,1.4261218 1595.3831,1.5189793 
1596.348,1.5029356 1597.312,1.4516978 1598.276,1.4079894 1599.24,1.3813549 
1600.204,1.3480592 1601.1689,1.3070713 1602.1331,1.299643 1603.097,1.2948632 
1604.061,1.2832997 1605.026,1.2355787 1605.99,1.2055343 1606.954,1.2125065 
1607.918,1.2456539 1608.8831,1.2513924 1609.847,1.1890091 1610.811,1.1127158 
1611.775,1.0870801 1612.74,1.1731288 1613.704,1.2869778 1614.668,1.3693461 
1615.632,1.4361256 1616.5959,1.4672967 1617.561,1.433804 1618.525,1.2689794 
1619.489,1.1131401 1620.453,1.049576 1621.418,1.0848325 1622.382,1.1119847 
1623.3459,1.1092197 1624.3101,1.0863924 1625.275,1.0330464 1626.239,0.84874719 
1627.203,0.61908096 1628.167,0.51103967 1629.131,0.68969285 
1630.0959,0.98409575 1631.0601,1.1605513 1632.024,1.1562197 1632.988,1.0793903 
1633.953,1.0321441 1634.917,1.0264369 1635.881,1.0320333 1636.845,1.0173321 
1637.8101,0.98376489 1638.774,0.9676069 1639.738,1.0223224 1640.702,1.1283418 
1641.667,1.169881 1642.631,1.0523744 1643.595,0.81488395 1644.559,0.64387214 
1645.5229,0.58925796 1646.488,0.60083747 1647.452,0.56624973 
1648.416,0.45277745 1649.38,0.33116788 1650.345,0.31412959 1651.309,0.42156848 
1652.2729,0.59737748 1653.2371,0.82193941 1654.202,1.1147889 
1655.166,1.3270371 1656.13,1.3624847 1657.094,1.190011 1658.058,1.0090486 
1659.0229,0.84663546 1659.9871,0.70983517 1660.951,0.55895555 
1661.915,0.35532868 1662.88,0.13817686 1663.844,0.077216707 
1664.808,0.24081476 1665.772,0.4958075 1666.7371,0.67984658 
1667.701,0.77644199 1668.665,0.83900464 1669.629,0.87672782 1670.594,0.8356027 
1671.558,0.85252416 1672.522,0.96646273 1673.486,1.2249799 1674.45,1.4028178 
1675.415,1.4779786 1676.379,1.4528165 1677.343,1.3923622 1678.307,1.2404253 
1679.272,1.0805165 1680.236,1.0353323 1681.2,1.2655629 1682.1639,1.5013105 
1683.129,1.6097146 1684.093,1.4238867 1685.057,1.2460476 1686.021,1.1158701 
1686.986,1.0622387 1687.95,1.0392098 1688.9139,1.0935742 1689.8781,1.211139 
1690.843,1.2301035 1691.807,0.96343184 1692.771,0.59861606 1693.735,0.41494524 
1694.699,0.63659382 1695.6639,0.95103091 1696.6281,1.1825655 
1697.592,1.3273559 1698.556,1.3788691 1699.521,1.2927018 1700.485,0.97531074 
1701.449,0.79028934 1702.413,0.91184729 1703.3781,1.2978449 1704.342,1.6522206 
1705.306,1.9114649 1706.27,2.0857096 1707.234,2.1846437 1708.199,2.1453171 
1709.163,2.0450237 1710.127,1.9338802 1711.0909,1.7804157 1712.056,1.6603646 
1713.02,1.6295712 1713.984,1.7094487 1714.948,1.8079026 1715.913,1.8698864 
1716.877,1.8951873 1717.8409,1.9131397 1718.8051,2.0201771 1719.77,2.1347604 
1720.734,2.1154692 1721.698,1.7049642 1722.662,1.2246485 1723.626,1.0195005 
1724.5909,1.2416422 1725.5551,1.5092137 1726.519,1.4446776 1727.483,1.0156833 
1728.448,0.60754544 1729.412,0.48350161 1730.376,0.61122572 1731.34,0.80569714 
1732.3051,1.1137428 1733.269,1.4771626 1734.233,1.6568184 1735.197,1.5272295 
1736.161,1.2658403 1737.126,1.1693499 1738.09,1.2669719 1739.054,1.4195839 
1740.0179,1.4919319 1740.983,1.4901704 1741.947,1.4674047 1742.911,1.4428355 
1743.875,1.408551 1744.84,1.4032624 1745.804,1.425124 1746.7679,1.4633553 
1747.7321,1.4775487 1748.697,1.4768553 1749.661,1.4844979 1750.625,1.5475875 
1751.589,1.7034318 1752.553,1.8095518 1753.5179,1.7088883 1754.4821,1.3104213 
1755.446,0.9760167 1756.41,0.8444128 1757.375,0.93916869 1758.339,1.0709237 
1759.303,1.270851 1760.267,1.5108973 1761.2321,1.5459427 1762.196,1.244469 
1763.16,0.84012413 1764.124,0.63294137 1765.089,0.76985466 1766.053,0.94509417 
1767.017,1.0483229 1767.981,0.96823579 1768.9449,0.93508762 1769.91,0.97740996 
1770.874,1.1268239 1771.838,1.2302126 1772.802,1.2237178 1773.767,1.1710446 
1774.731,1.204724 1775.6949,1.4495572 1776.6591,1.7063463 1777.624,1.8787352 
1778.588,1.8698756 1779.552,1.8317978 1780.516,1.7639067 1781.48,1.6695668 
1782.4449,1.5913798 1783.4091,1.5790277 1784.373,1.6129442 1785.337,1.6181763 
1786.302,1.4932065 1787.266,1.3535221 1788.23,1.2937422 1789.194,1.323495 
1790.1591,1.4447844 1791.123,1.7176055 1792.087,2.2434952 1793.051,2.6069872 
1794.016,2.5690289 1794.98,2.2169323 1795.944,1.9194561 1796.908,1.8822122 
1797.8719,1.9482714 1798.837,1.9343426 1799.801,1.6224364 1800.765,1.3459469 
1801.729,1.3144841 1802.694,1.599443 1803.658,1.9083446 1804.6219,2.0499039 
1805.5861,2.0398736 1806.551,2.045867 1807.515,2.1803942 1808.479,2.3980517 
1809.443,2.6065547 1810.407,2.8031411 1811.3719,2.9822481 1812.3361,3.1366732 
1813.3,3.2626584 1814.264,3.3335748 1815.229,3.3742781 1816.193,3.3846252 
1817.157,3.244246 1818.121,2.7408831 1819.0861,1.9820012 1820.05,1.4288716 
1821.014,1.2235889 1821.978,1.2254899 1822.943,1.2403063 1823.907,1.2832375 
1824.871,1.2920879 1825.835,1.1536524 1826.799,0.84440202 1827.764,0.59954011 
1828.728,0.62489849 1829.692,0.9377929 1830.656,1.1056365 1831.621,1.0410413 
1832.585,0.81677818 1833.549,0.65764636 1834.5129,0.54696029 
1835.478,0.50166935 1836.442,0.57322454 1837.406,0.81663841 1838.37,1.0122987 
1839.334,1.0515171 1840.299,0.87730086 1841.2629,0.77270252 
1842.2271,0.78761524 1843.191,0.89810961 1844.156,0.92887425 
1845.12,0.83818609 1846.084,0.68933743 1847.048,0.54160863 
1848.0129,0.33727449 1848.9771,0.21867678 1849.941,0.24713588 
1850.905,0.45667678 1851.87,0.63824522 1852.834,0.81751633 1853.798,0.9787724 
1854.762,0.99451095 1855.726,0.79426682 1856.691,0.53463757 
1857.655,0.33071914 1858.619,0.15059449 1859.583,0.04232109 
1860.548,-0.022941489 1861.512,-0.078454942 1862.476,-0.017554021 
1863.4399,0.34420183 1864.405,0.85528946 1865.369,1.123145 1866.333,0.82051736 
1867.297,0.4276922 1868.261,0.24856354 1869.226,0.55449986 
1870.1899,0.77436733 1871.1541,0.72392786 1872.118,0.38481393 
1873.083,0.094508357 1874.047,-0.034506023 1875.011,-0.049815163 
1875.975,-0.031497251 1876.9399,-0.0090261381 1877.9041,0.046834756 
1878.868,0.16629289 1879.832,0.40465161 1880.797,0.57913196 
1881.761,0.57470846 1882.725,0.41862416 1883.689,0.28056437 
1884.653,0.24185076 1885.618,0.2568711 1886.582,0.25557187 1887.546,0.2181893 
1888.51,0.16100441 1889.475,0.061173175 1890.439,-0.10236605 
1891.403,-0.16449955 1892.3669,0.13384399 1893.332,0.69445521 
1894.296,1.0710753 1895.26,0.8436566 1896.224,0.32302818 1897.188,0.1062893 
1898.153,0.3192088 1899.1169,0.64649761 1900.0811,0.80618477 
1901.045,0.80583513 1902.01,0.73345745 1902.974,0.56371039 1903.938,0.31198829 
1904.902,0.17107818 1905.8669,0.21403734 1906.8311,0.36027023 
1907.795,0.45448297 1908.759,0.48132303 1909.724,0.49247763 
1910.688,0.57941163 1911.652,0.77851528 1912.616,0.8667509 1913.58,0.64570069 
1914.545,0.15528524 1915.509,-0.062029868 1916.473,0.090903983 
1917.437,0.43157637 1918.402,0.63794088 1919.366,0.69549036 1920.33,0.67265075 
1921.2939,0.5718329 1922.259,0.2961469 1923.223,0.20632648 1924.187,0.39770433 
1925.151,0.81428826 1926.115,1.0381399 1927.08,0.99697644 1928.0439,0.83414286 
1929.0081,0.6721707 1929.972,0.37980801 1930.937,0.23417301 
1931.901,0.30253831 1932.865,0.68499935 1933.829,0.89184046 
1934.7939,0.81089973 1935.7581,0.58984625 1936.722,0.48219928 
1937.686,0.62794828 1938.651,0.7695303 1939.615,0.79149413 1940.579,0.63062036 
1941.543,0.51222777 1942.507,0.47511181 1943.472,0.50484067 
1944.436,0.55001658 1945.4,0.60634726 1946.364,0.67249739 1947.329,0.76238066 
1948.293,0.95797193 1949.257,1.0699072 1950.2209,1.0004463 1951.186,0.75416219 
1952.15,0.53596669 1953.114,0.40856114 1954.078,0.35715204 1955.042,0.36237603 
1956.007,0.52970684 1956.9709,0.67193937 1957.9351,0.67832822 
1958.899,0.5138436 1959.864,0.36542368 1960.828,0.30217302 1961.792,0.3147735 
1962.756,0.38618863 1963.7209,0.63220698 1964.6851,0.88731956 
1965.649,1.0041893 1966.613,0.94641393 1967.578,0.83621371 1968.542,0.68903589 
1969.506,0.52893317 1970.47,0.47171974 1971.434,0.7516942 1972.399,1.1379708 
1973.363,1.1949821 1974.327,0.73680997 1975.291,0.2594184 1976.256,0.32034537 
1977.22,0.91991705 1978.184,1.4215261 1979.1479,1.4235156 1980.113,1.0273738 
1981.077,0.73543817 1982.041,0.5471161 1983.005,0.46509299 1983.969,0.57087368 
1984.934,0.92366672 1985.8979,1.1776377 1986.8621,1.0233561 
1987.826,0.43197933 1988.791,0.069350012 1989.755,0.039340794 
1990.719,0.23193267 1991.683,0.4166263 1992.6479,0.63084072 
1993.6121,0.76324403 1994.576,0.69047809 1995.54,0.29944992 
1996.505,0.034843206 1997.469,-0.04842693 1998.433,0.028479945 
1999.397,0.13319379 2000.361,0.31068221 2001.326,0.4760167 2002.29,0.55189222 
2003.254,0.43184257 2004.218,0.3742981 2005.183,0.44323552 2006.147,0.64062995 
2007.111,0.71650845 2008.075,0.53638768 2009.04,0.29217914 2010.004,0.14752205 
2010.968,0.21428801 2011.932,0.30070454 2012.896,0.42237365 
2013.861,0.57973427 2014.825,0.64339894 2015.7889,0.44048959 
2016.7531,0.1849397 2017.718,0.09900979 2018.682,0.45716459 
2019.646,0.76341343 2020.61,0.8975476 2021.575,0.85645056 2022.5389,0.82025957 
2023.5031,0.85838848 2024.467,0.90053713 2025.432,0.85805327 
2026.396,0.55874908 2027.36,0.31636426 2028.324,0.3014158 2029.288,0.53610516 
2030.2531,0.70750642 2031.217,0.58816165 2032.181,0.33188838 
2033.145,0.17835644 2034.11,0.31273481 2035.074,0.4791567 2036.038,0.58755314 
2037.002,0.64584345 2037.967,0.62706637 2038.931,0.33432779 
2039.895,-0.069140278 2040.859,-0.19897661 2041.823,0.27471378 
2042.788,0.83253282 2043.752,1.0751508 2044.7159,0.99386632 
2045.6801,0.82729363 2046.645,0.61187136 2047.609,0.38646966 
2048.573,0.34228447 2049.5371,0.63497591 2050.501,0.99034309 
2051.4661,1.0521555 2052.4299,0.78262031 2053.394,0.50339377 
2054.3579,0.42092189 2055.323,0.52442533 2056.2871,0.62995768 
2057.251,0.70758182 2058.2151,0.78582174 2059.1799,0.93591082 
2060.144,1.1898609 2061.1079,1.3983399 2062.072,1.4555408 2063.0371,1.338057 
2064.001,1.2387356 2064.9651,1.1490475 2065.929,1.0730233 2066.894,1.0358561 
2067.8579,1.0741861 2068.822,1.1035182 2069.7859,1.0762703 2070.75,0.96260154 
2071.7151,0.90482301 2072.679,0.93850994 2073.6431,1.0145828 
2074.6069,1.0295055 2075.572,0.92637831 2076.5359,0.84140557 2077.5,0.81054503 
2078.4641,0.83787572 2079.429,0.84710383 2080.3931,0.8158443 
2081.3569,0.76496118 2082.321,0.72948605 2083.2859,0.75829029 
2084.25,0.76979262 2085.2141,0.74849004 2086.178,0.69441825 
2087.1431,0.67238122 2088.1069,0.64362669 2089.071,0.64764434 
2090.0349,0.72461313 2091,1.0688306 2091.9641,1.3122016 2092.928,1.3454959 
2093.8921,1.1815056 2094.856,1.0727506 2095.821,1.1056947 2096.7849,1.1755079 
2097.749,1.172815 2098.7129,1.0649264 2099.678,0.95849311 2100.6421,0.9240647 
2101.606,0.95424813 2102.5701,0.96819949 2103.5349,0.8380779 
2104.499,0.70366967 2105.4629,0.73481756 2106.427,1.0218356 
2107.3921,1.2757601 2108.355,1.3047564 2109.3201,1.1577116 2110.2839,1.0232514 
2111.249,0.97466487 2112.2119,0.96447885 2113.177,0.9589383 
2114.1411,0.96366531 2115.105,0.94372445 2116.0691,0.83296603 
2117.0339,0.66327024 2117.998,0.58569252 2118.9619,0.68149066 
2119.926,0.85508066 2120.8911,1.0162214 2121.855,1.1659673 2122.8191,1.2524756 
2123.783,1.1863022 2124.748,0.98695409 2125.7119,0.89077419 
2126.676,0.96303827 2127.6399,1.0837619 2128.604,1.0627563 
2129.5691,0.85672408 2130.533,0.67741352 2131.4971,0.64340675 
2132.4609,0.74216413 2133.426,0.84572381 2134.3899,0.9704662 
2135.354,1.0749696 2136.3181,1.0937488 2137.283,0.96894896 2138.2471,0.8934201 
2139.2109,0.93840235 2140.175,1.0832551 2141.1399,1.1489817 2142.104,1.0481741 
2143.0681,0.93914908 2144.032,0.93403345 2144.9971,1.1581761 
2145.9609,1.2770289 2146.925,1.2246336 2147.8889,1.0623263 2148.854,0.9692046 
2149.8181,1.0622152 2150.782,1.111926 2151.7461,1.0154128 2152.71,0.72124934 
2153.675,0.56987965 2154.6389,0.71416008 2155.603,0.97417939 
2156.5669,1.1460758 2157.532,1.0532417 2158.4961,1.0164815 2159.46,1.1680267 
2160.4241,1.4680711 2161.3889,1.6042182 2162.353,1.3545392 2163.3169,1.0095807 
2164.281,0.78830302 2165.2461,0.71550781 2166.209,0.71042615 
2167.1741,0.76936454 2168.1379,0.86489683 2169.103,0.94582748 
2170.0659,1.0014542 2171.031,1.0524895 2171.9951,1.1224359 2172.959,1.2138017 
2173.9231,1.2872007 2174.8879,1.246964 2175.8521,1.1751337 2176.8159,1.2589849 
2177.78,1.6496066 2178.7451,1.9604384 2179.709,1.7930403 2180.6731,1.2243741 
2181.637,0.81518871 2182.6021,0.97268444 2183.5659,1.3307755 2184.53,1.4423912 
2185.4939,1.2742863 2186.458,1.0870008 2187.4231,1.0975586 2188.387,1.2711524 
2189.3511,1.3159692 2190.3149,1.1090881 2191.28,0.84933478 
2192.2439,0.81385094 2193.208,1.0334706 2194.1721,1.2845744 2195.137,1.5230165 
2196.1011,1.7453295 2197.0649,1.883135 2198.0291,1.9428911 2198.9939,1.9005612 
2199.958,1.66729 2200.9221,1.1298244 2201.886,0.78177702 2202.8511,0.74935645 
2203.8149,0.9262746 2204.7791,1.0188488 2205.7429,0.94676852 
2206.708,0.88268995 2207.6721,0.86993194 2208.636,0.91255099 
2209.6001,0.95979995 2210.564,1.1090339 2211.5291,1.2371099 
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3562.4199,-0.077391237 3563.384,-0.17000075 3564.3479,-0.005121063 
3565.313,0.19612159 3566.2771,0.18237138 3567.241,0.11518751 
3568.2051,0.29371351 3569.1689,0.65856516 3570.134,0.91689801 
3571.0979,1.0531651 3572.062,1.0549195 3573.0259,0.88995838 
3573.991,0.75471252 3574.9551,0.68606251 3575.9189,0.64103878 
3576.8831,0.61110282 3577.8479,0.59013677 3578.812,0.51745361 
3579.7759,0.51389432 3580.74,0.8056044 3581.7051,1.1709912 3582.6689,1.1211458 
3583.6331,0.81308937 3584.5969,0.85693789 3585.562,1.2169483 
3586.5259,1.2523575 3587.49,0.85536486 3588.4541,0.64831281 
3589.418,0.82125473 3590.3831,0.97783864 3591.3469,1.0067203 
3592.311,0.95967919 3593.2749,0.72903299 3594.24,0.58163786 
3595.2041,0.87953663 3596.168,1.2527792 3597.1321,1.0922588 
3598.0969,0.62956619 3599.061,0.61304301 3600.0249,1.0359056 3600.989,1.314863 
3601.9541,1.420503 3602.917,1.3505077 3603.8821,1.0228468 3604.8459,0.85880297 
3605.811,1.0415912 3606.7739,1.1726906 3607.739,1.0959556 3608.7029,0.94394737 
3609.667,0.6802327 3610.6311,0.53461784 3611.5959,0.89541948 
3612.5601,1.4491197 3613.5239,1.5595518 3614.488,1.3502578 3615.4529,1.2508515 
3616.417,1.2649633 3617.3811,1.2822716 3618.345,1.2945037 3619.3101,1.2015419 
3620.2739,0.94398624 3621.238,0.723454 3622.2019,0.58504325 
3623.167,0.57774919 3624.1311,0.85212737 3625.095,1.154065 3626.0591,1.3323162 
3627.0229,1.4282671 3627.988,1.5239255 3628.9519,1.570719 3629.916,1.3460155 
3630.8799,0.92029023 3631.845,0.86100167 3632.8091,1.2680632 
3633.7729,1.5530038 3634.7371,1.6995759 3635.7019,1.6958442 3636.666,1.3991451 
3637.6299,1.2375363 3638.594,1.4833101 3639.5591,1.6056508 3640.5229,1.1794263 
3641.4871,0.88282055 3642.4509,1.2776742 3643.416,1.786184 3644.3799,1.8690432 
3645.344,1.6680455 3646.3081,1.3144388 3647.272,0.94574207 
3648.2371,0.99878722 3649.2009,1.3789067 3650.165,1.4821037 
3651.1289,1.2817179 3652.094,1.2138755 3653.0581,1.3709803 3654.022,1.3849519 
3654.9861,1.1256623 3655.9509,0.85496306 3656.915,0.60284728 
3657.8789,0.57618707 3658.843,1.1186056 3659.8081,1.6894894 3660.771,1.6469488 
3661.7361,1.3706441 3662.7,1.3956301 3663.665,1.5976789 3664.6279,1.6963621 
3665.593,1.690721 3666.5569,1.5269811 3667.521,1.1544865 3668.4851,0.90253061 
3669.45,0.79900432 3670.4141,0.83377975 3671.3779,1.1627588 3672.342,1.3695418 
3673.3069,1.2589047 3674.271,1.1507158 3675.2351,1.1156975 3676.199,1.1511805 
3677.1641,1.3329128 3678.1279,1.4933336 3679.092,1.4685286 3680.0559,1.3621954 
3681.021,1.2714 3681.9851,1.2489194 3682.949,1.4027185 3683.9131,1.6844015 
3684.877,1.8456452 3685.842,1.8801874 3686.8059,1.8481456 3687.77,1.7410563 
3688.7339,1.6646179 3689.699,1.6185663 3690.6631,1.5870844 3691.627,1.5873247 
3692.5911,1.5730655 3693.5559,1.5641592 3694.52,1.5007116 3695.4839,1.2538326 
3696.448,1.089854 3697.4131,1.2484545 3698.377,1.4518695 3699.3411,1.405205 
3700.3049,1.2522376 3701.27,1.1242874 3702.2339,1.1019782 3703.198,1.5213078 
3704.1621,2.1855419 3705.126,2.1941423 3706.0911,1.6161373 3707.0549,1.4166145 
3708.019,1.6833706 3708.9829,1.7156519 3709.948,1.3810457 3710.9121,1.1924293 
3711.876,1.3002155 3712.8401,1.4367701 3713.8049,1.4861554 3714.769,1.5393736 
3715.7329,1.6664251 3716.697,1.7938151 3717.6621,1.8901001 3718.625,1.9223182 
3719.5901,1.7589724 3720.554,1.547976 3721.519,1.6247219 3722.4819,1.8609185 
3723.447,1.8780516 3724.4109,1.7341529 3725.375,1.5077182 3726.3391,1.2136011 
3727.304,1.3563138 3728.2681,1.9830925 3729.2319,2.208375 3730.196,1.8641324 
3731.1609,1.6710531 3732.125,1.8333747 3733.0891,1.8575819 3734.053,1.4896796 
3735.0181,1.254775 3735.9819,1.491145 3736.946,1.7461572 3737.9099,1.6923797 
3738.875,1.6147082 3739.8391,1.8400577 3740.803,2.0851672 3741.7671,1.9831361 
3742.731,1.740443 3743.696,1.6001552 3744.6599,1.5634719 3745.624,1.7532285 
3746.5879,2.120472 3747.553,2.3293793 3748.5171,2.3766739 3749.481,2.3225772 
3750.4451,2.1424086 3751.4099,1.9505221 3752.374,1.7121363 3753.3379,1.6272982 
3754.302,1.8332289 3755.2671,1.9280223 3756.231,1.683279 3757.1951,1.5904908 
3758.1589,1.9816477 3759.124,2.3147461 3760.0879,2.3496544 3761.052,2.2838769 
3762.0161,2.0616286 3762.98,1.9132557 3763.9451,2.1646514 3764.9089,2.4894149 
3765.873,2.560272 3766.8369,2.4488523 3767.802,2.0862312 3768.7661,1.6694924 
3769.73,1.8207771 3770.6941,2.3956232 3771.6589,2.6005337 3772.623,2.4319136 
3773.5869,2.3515339 3774.551,2.3863952 3775.5161,2.3338957 3776.479,2.1066201 
3777.4441,2.0922811 3778.408,2.482928 3779.373,2.6983509 3780.3359,2.5155013 
3781.301,2.4334826 3782.2649,2.6505048 3783.229,2.8101888 3784.1931,2.8088236 
3785.158,2.7421606 3786.1221,2.5282431 3787.0859,2.3890696 3788.05,2.5779054 
3789.0149,2.7539608 3789.979,2.5781386 3790.9431,2.3370788 3791.907,2.3022332 
3792.8721,2.3891985 3793.8359,2.5869424 3794.8,2.7845247 3795.7639,2.6988788 
3796.729,2.4246519 3797.6931,2.2205095 3798.657,2.0922806 3799.6211,2.1719267 
3800.585,2.4737334 3801.55,2.6489177 3802.5139,2.6907012 3803.478,2.6003966 
3804.4419,2.318702 3805.407,2.1449852 3806.3711,2.1433096 3807.335,2.0942233 
3808.2991,1.8986388 3809.2639,1.8574672 3810.228,2.1560829 3811.1919,2.3621778 
3812.156,2.3017421 3813.1211,2.2009125 3814.085,2.0720484 3815.0491,2.0420647 
3816.0129,2.3195255 3816.978,2.5402486 3817.9419,2.3434041 3818.906,2.1096294 
3819.8701,2.1998043 3820.834,2.3673348 3821.7991,2.3625042 3822.7629,2.293088 
3823.7271,2.3031054 3824.6909,2.3332965 3825.656,2.2304471 3826.6201,2.0661616 
3827.584,2.0272717 3828.5481,2.0835054 3829.5129,2.2678816 3830.4771,2.5412111 
3831.4409,2.6366322 3832.405,2.5865843 3833.3701,2.446137 3834.333,2.2274945 
3835.2981,2.2405789 3836.262,2.4899311 3837.2271,2.5867751 3838.1899,2.4860954 
3839.155,2.5096576 3840.1189,2.7358773 3841.083,2.7039363 3842.0471,2.2814591 
3843.012,2.0304215 3843.9761,2.0896497 3844.9399,2.3161242 3845.9041,2.7351255 
3846.8689,2.9353061 3847.833,2.6949005 3848.7971,2.4429862 3849.761,2.388025 
3850.7261,2.3902225 3851.6899,2.3657014 3852.6541,2.3589664 
3853.6179,2.3929541 3854.583,2.4679661 3855.5471,2.6332145 3856.511,2.7567468 
3857.4751,2.7125392 3858.439,2.5863357 3859.4041,2.4547541 3860.3679,2.3332112 
3861.332,2.2321498 3862.2959,2.1641002 3863.261,2.1535985 3864.2251,2.1751611 
3865.189,2.1373038 3866.1531,2.088634 3867.1179,2.1931129 3868.082,2.4116201 
3869.0459,2.4878137 3870.01,2.4428146 3870.9751,2.6013978 3871.939,2.9800494 
3872.9031,3.1741009 3873.8669,3.1312907 3874.832,3.0447855 3875.7959,2.9034848 
3876.76,2.6985676 3877.7241,2.2880085 3878.688,2.1768935 3879.6531,2.7221296 
3880.6169,3.0312903 3881.5811,2.8397529 3882.5449,2.7768664 3883.51,3.0316813 
3884.4741,3.1963592 3885.438,3.1675105 3886.4021,3.0923998 3887.3669,2.9308271 
3888.3311,2.8767848 3889.2949,3.1335728 3890.259,3.235517 3891.2241,2.8346314 
3892.188,2.5198956 3893.1521,2.6294866 3894.116,2.8170226 3895.0811,2.9100733 
3896.0439,3.0091648 3897.009,3.2297249 3897.9729,3.3970721 3898.938,3.3879104 
3899.9009,3.2255776 3900.866,2.7995119 3901.8301,2.3876665 3902.7939,2.2708135 
3903.7581,2.3398321 3904.7229,2.5671182 3905.687,2.8162787 3906.6509,2.9486601 
3907.615,2.9645193 3908.5801,2.7741907 3909.5439,2.567384 3910.5081,2.6822958 
3911.4719,2.9245453 3912.437,2.9245176 3913.4009,2.7899816 3914.365,2.7660708 
3915.3291,2.8353112 3916.293,2.9443381 3917.2581,3.0519845 3918.2219,3.005441 
3919.186,2.8397789 3920.1499,2.8303325 3921.115,2.965394 3922.0791,3.0033963 
3923.043,2.9396415 3924.0071,2.8697674 3924.9719,2.7873414 3925.936,2.6761179 
3926.8999,2.5222764 3927.864,2.4862523 3928.8291,2.6041186 3929.793,2.6885481 
3930.7571,2.718365 3931.7209,2.8865604 3932.686,3.2419956 3933.6499,3.3577642 
3934.614,3.1721578 3935.5779,3.1056366 3936.542,3.21807 3937.5071,3.2434664 
3938.4709,3.1463137 3939.4351,3.0240133 3940.3989,2.8868864 3941.364,2.7769244 
3942.3279,2.6863909 3943.292,2.7598982 3944.2561,3.0315199 3945.2209,3.1667778 
3946.1851,3.0780187 3947.1489,3.0065014 3948.113,3.0315096 3949.0779,3.0272217 
3950.042,2.920135 3951.0061,2.9093609 3951.97,3.0991845 3952.9351,3.2658043 
3953.8979,3.3301754 3954.863,3.3979857 3955.8269,3.5685487 3956.792,3.6377554 
3957.7549,3.4277222 3958.72,3.2565134 3959.6841,3.3002098 3960.6479,3.3191886 
3961.6121,3.2135067 3962.5769,3.0683489 3963.541,2.8025463 3964.5049,2.6828136 
3965.469,2.9509685 3966.4341,3.1806974 3967.3979,3.1273735 3968.3621,3.0864649 
3969.3259,3.2484636 3970.291,3.3675668 3971.2549,3.2865162 3972.219,3.159507 
3973.1831,3.0395267 3974.147,2.9968119 3975.1121,3.1371574 3976.0759,3.2466168 
3977.04,3.173595 3978.0039,3.0623264 3978.969,2.9412663 3979.9331,2.8848796 
3980.897,2.9532743 3981.8611,3.0836244 3982.8259,3.288275 3983.79,3.4453101 
3984.7539,3.4588842 3985.718,3.4022312 3986.6831,3.2496278 3987.647,3.1422427 
3988.6111,3.3008778 3989.575,3.4378102 3990.54,3.1913517 3991.5039,2.9568276 
3992.468,3.1853726 3993.4319,3.4199221 3994.396,3.1967182 3995.3611,2.9687073 
3996.325,3.2206602 3997.2891,3.4966276 3998.2529,3.3739166 3999.218,3.0981865 
4000.1819,2.7628784 
##MOLFORM=C Ca O3
##MW=100.09
##RESOLUTION=1
##PRESSURE=100
##TEMPERATURE=26.85
##END=
