mixture.gro

PEG-ethanol-water SYSTEM
5838
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    3  PEG    H 1764  35.747   0.767   0.467
    3  PEG    C 1765  36.285   0.787   4.282
    3  PEG    H 1766  36.120   1.945   4.250
    3  PEG    H 1767  41.490   3.778   0.903
    3  PEG    H 1768  43.812   2.325   1.610
    3  PEG    C 1769  42.675   2.330   1.788
    3  PEG    H 1770  39.086   0.857   0.711
    3  PEG    H 1771  43.013   1.825   4.225
    3  PEG    C 1772  40.924   2.275   4.321
    3  PEG    O 1773  41.002   2.489   5.463
    3  PEG    H 1774  42.557   3.606   4.264
    3  PEG    C 1775  42.342   2.610   3.778
    3  PEG    O 1776  42.376   3.029   2.697
    3  PEG    H 1777  40.888   1.212   3.942
    3  PEG    H 1778  40.205   2.969   3.825
    3  PEG    C 1779  39.956   2.702   6.041
    3  PEG    H 1780  39.447   3.675   5.776
    3  PEG    H 1781  40.459   2.906   6.999
    3  PEG    C 1782  37.399   0.496   5.314
    3  PEG    O 1783  37.952   1.513   5.662
    3  PEG    C 1784  38.993   1.418   6.263
    3  PEG    H 1785  39.622   0.542   6.045
    3  PEG    H 1786  38.752   1.441   7.390
   12  PEG    H 1787  34.782  -1.598  16.145
   12  PEG    H 1788  36.135  -0.844  16.975
   12  PEG    C 1789  35.397  -0.658  16.066
   12  PEG    H 1790  35.646  -0.282  13.982
   12  PEG    C 1791  36.278  -0.699  14.835
   12  PEG    O 1792  36.758  -1.747  14.723
   12  PEG    H 1793  37.043   0.103  15.131
   12  PEG    C 1794  37.126  -2.076  13.682
   12  PEG    H 1795  36.899  -1.539  12.767
   12  PEG    H 1796  33.808  -5.635  15.201
   12  PEG    C 1797  34.819  -5.478  14.680
   12  PEG    H 1798  35.606  -5.946  13.155
   12  PEG    O 1799  34.968  -6.181  13.835
   12  PEG    O 1800  37.127  -3.291  16.892
   12  PEG    H 1801  36.835  -2.391  16.629
   12  PEG    H 1802  37.434  -4.068  14.412
   12  PEG    H 1803  37.346  -4.086  12.655
   12  PEG    C 1804  36.864  -3.579  13.555
   12  PEG    H 1805  34.957  -3.282  15.094
   12  PEG    H 1806  35.590  -5.661  15.496
   12  PEG    H 1807  33.944  -3.741  13.615
   12  PEG    C 1808  34.936  -3.974  14.186
   12  PEG    O 1809  35.681  -3.699  13.281
   12  PEG    H 1810  38.264  -2.004  13.850
   12  PEG    C 1811  40.424  -0.693  18.574
   12  PEG    H 1812  40.901  -0.920  17.535
   12  PEG    O 1813  39.661  -0.045  17.998
   12  PEG    O 1814  34.770   0.324  16.109
   12  PEG    H 1815  32.494   2.244  17.032
   12  PEG    H 1816  33.921   0.179  17.986
   12  PEG    H 1817  34.203   2.618  16.203
   12  PEG    C 1818  33.650   2.082  17.107
   12  PEG    H 1819  32.978   0.274  16.339
   12  PEG    C 1820  33.907   0.563  16.929
   12  PEG    O 1821  33.981   2.385  18.244
   12  PEG    C 1822  34.898   3.103  18.268
   12  PEG    H 1823  38.337   1.393  18.184
   12  PEG    H 1824  35.876   2.844  17.687
   12  PEG    H 1825  34.546   4.109  17.906
   12  PEG    H 1826  42.693   2.900  18.556
   12  PEG    C 1827  41.988   2.824  19.434
   12  PEG    C 1828  40.404   2.160  18.322
   12  PEG    O 1829  41.101   2.087  19.248
   12  PEG    H 1830  41.012   2.009  17.306
   12  PEG    H 1831  42.440   1.234  20.879
   12  PEG    H 1832  39.857   3.143  18.244
   12  PEG    C 1833  39.363   0.995  18.543
   12  PEG    H 1834  38.770  -2.566  16.433
   12  PEG    C 1835  38.431  -2.961  18.621
   12  PEG    H 1836  38.205  -4.023  19.048
   12  PEG    C 1837  38.268  -3.279  17.156
   12  PEG    H 1838  38.709  -4.329  16.993
   12  PEG    H 1839  39.558  -1.476  20.471
   12  PEG    H 1840  37.583  -2.294  19.027
   12  PEG    H 1841  35.298   0.397  23.683
   12  PEG    C 1842  39.979  -1.860  19.463
   12  PEG    O 1843  39.547  -2.917  18.982
   12  PEG    H 1844  41.398  -0.212  19.115
   12  PEG    H 1845  40.939  -2.454  19.663
   12  PEG    H 1846  38.086  -0.270  23.663
   12  PEG    H 1847  36.863  -0.068  25.040
   12  PEG    H 1848  34.408   3.382  20.362
   12  PEG    H 1849  35.730   4.391  19.814
   12  PEG    C 1850  35.369   3.268  19.762
   12  PEG    O 1851  36.247   2.490  20.054
   12  PEG    C 1852  35.859   1.403  20.297
   12  PEG    O 1853  36.345   0.130  22.166
   12  PEG    C 1854  36.813   0.620  21.196
   12  PEG    H 1855  37.196  -0.290  20.536
   12  PEG    H 1856  37.798   1.223  21.241
   12  PEG    H 1857  34.895   1.282  20.824
   12  PEG    H 1858  35.747   0.767  19.349
   12  PEG    C 1859  36.285   0.787  23.164
   12  PEG    H 1860  36.120   1.945  23.132
   12  PEG    H 1861  41.490   3.778  19.785
   12  PEG    H 1862  43.812   2.325  20.492
   12  PEG    C 1863  42.675   2.330  20.670
   12  PEG    H 1864  39.086   0.857  19.592
   12  PEG    H 1865  43.013   1.825  23.107
   12  PEG    C 1866  40.924   2.275  23.203
   12  PEG    O 1867  41.002   2.489  24.345
   12  PEG    H 1868  42.557   3.606  23.146
   12  PEG    C 1869  42.342   2.610  22.660
   12  PEG    O 1870  42.376   3.029  21.579
   12  PEG    H 1871  40.888   1.212  22.824
   12  PEG    H 1872  40.205   2.969  22.707
   12  PEG    C 1873  39.956   2.702  24.923
   12  PEG    H 1874  39.447   3.675  24.658
   12  PEG    H 1875  40.459   2.906  25.881
   12  PEG    C 1876  37.399   0.496  24.196
   12  PEG    O 1877  37.952   1.513  24.543
   12  PEG    C 1878  38.993   1.418  25.145
   12  PEG    H 1879  39.622   0.542  24.926
   12  PEG    H 1880  38.752   1.441  26.271
   21  PEG    H 1881  34.782  -1.598  35.027
   21  PEG    H 1882  36.135  -0.844  35.857
   21  PEG    C 1883  35.397  -0.658  34.948
   21  PEG    H 1884  35.646  -0.282  32.864
   21  PEG    C 1885  36.278  -0.699  33.716
   21  PEG    O 1886  36.758  -1.747  33.604
   21  PEG    H 1887  37.043   0.103  34.013
   21  PEG    C 1888  37.126  -2.076  32.564
   21  PEG    H 1889  36.899  -1.539  31.648
   21  PEG    H 1890  33.808  -5.635  34.083
   21  PEG    C 1891  34.819  -5.478  33.562
   21  PEG    H 1892  35.606  -5.946  32.037
   21  PEG    O 1893  34.968  -6.181  32.717
   21  PEG    O 1894  37.127  -3.291  35.774
   21  PEG    H 1895  36.835  -2.391  35.511
   21  PEG    H 1896  37.434  -4.068  33.294
   21  PEG    H 1897  37.346  -4.086  31.537
   21  PEG    C 1898  36.864  -3.579  32.437
   21  PEG    H 1899  34.957  -3.282  33.976
   21  PEG    H 1900  35.590  -5.661  34.377
   21  PEG    H 1901  33.944  -3.741  32.497
   21  PEG    C 1902  34.936  -3.974  33.067
   21  PEG    O 1903  35.681  -3.699  32.163
   21  PEG    H 1904  38.264  -2.004  32.732
   21  PEG    C 1905  40.424  -0.693  37.455
   21  PEG    H 1906  40.901  -0.920  36.417
   21  PEG    O 1907  39.661  -0.045  36.880
   21  PEG    O 1908  34.770   0.324  34.991
   21  PEG    H 1909  32.494   2.244  35.914
   21  PEG    H 1910  33.921   0.179  36.868
   21  PEG    H 1911  34.203   2.618  35.085
   21  PEG    C 1912  33.650   2.082  35.989
   21  PEG    H 1913  32.978   0.274  35.221
   21  PEG    C 1914  33.907   0.563  35.811
   21  PEG    O 1915  33.981   2.385  37.125
   21  PEG    C 1916  34.898   3.103  37.150
   21  PEG    H 1917  38.337   1.393  37.066
   21  PEG    H 1918  35.876   2.844  36.568
   21  PEG    H 1919  34.546   4.109  36.788
   21  PEG    H 1920  42.693   2.900  37.438
   21  PEG    C 1921  41.988   2.824  38.316
   21  PEG    C 1922  40.404   2.160  37.204
   21  PEG    O 1923  41.101   2.087  38.130
   21  PEG    H 1924  41.012   2.009  36.187
   21  PEG    H 1925  42.440   1.234  39.761
   21  PEG    H 1926  39.857   3.143  37.125
   21  PEG    C 1927  39.363   0.995  37.425
   21  PEG    H 1928  38.770  -2.566  35.315
   21  PEG    C 1929  38.431  -2.961  37.502
   21  PEG    H 1930  38.205  -4.023  37.929
   21  PEG    C 1931  38.268  -3.279  36.038
   21  PEG    H 1932  38.709  -4.329  35.875
   21  PEG    H 1933  39.558  -1.476  39.353
   21  PEG    H 1934  37.583  -2.294  37.908
   21  PEG    H 1935  35.298   0.397  42.565
   21  PEG    C 1936  39.979  -1.860  38.345
   21  PEG    O 1937  39.547  -2.917  37.864
   21  PEG    H 1938  41.398  -0.212  37.997
   21  PEG    H 1939  40.939  -2.454  38.545
   21  PEG    H 1940  38.086  -0.270  42.545
   21  PEG    H 1941  36.863  -0.068  43.922
   21  PEG    H 1942  34.408   3.382  39.244
   21  PEG    H 1943  35.730   4.391  38.696
   21  PEG    C 1944  35.369   3.268  38.644
   21  PEG    O 1945  36.247   2.490  38.936
   21  PEG    C 1946  35.859   1.403  39.179
   21  PEG    O 1947  36.345   0.130  41.048
   21  PEG    C 1948  36.813   0.620  40.078
   21  PEG    H 1949  37.196  -0.290  39.418
   21  PEG    H 1950  37.798   1.223  40.123
   21  PEG    H 1951  34.895   1.282  39.706
   21  PEG    H 1952  35.747   0.767  38.230
   21  PEG    C 1953  36.285   0.787  42.045
   21  PEG    H 1954  36.120   1.945  42.013
   21  PEG    H 1955  41.490   3.778  38.667
   21  PEG    H 1956  43.812   2.325  39.374
   21  PEG    C 1957  42.675   2.330  39.552
   21  PEG    H 1958  39.086   0.857  38.474
   21  PEG    H 1959  43.013   1.825  41.988
   21  PEG    C 1960  40.924   2.275  42.085
   21  PEG    O 1961  41.002   2.489  43.227
   21  PEG    H 1962  42.557   3.606  42.028
   21  PEG    C 1963  42.342   2.610  41.542
   21  PEG    O 1964  42.376   3.029  40.461
   21  PEG    H 1965  40.888   1.212  41.706
   21  PEG    H 1966  40.205   2.969  41.589
   21  PEG    C 1967  39.956   2.702  43.805
   21  PEG    H 1968  39.447   3.675  43.540
   21  PEG    H 1969  40.459   2.906  44.762
   21  PEG    C 1970  37.399   0.496  43.078
   21  PEG    O 1971  37.952   1.513  43.425
   21  PEG    C 1972  38.993   1.418  44.026
   21  PEG    H 1973  39.622   0.542  43.808
   21  PEG    H 1974  38.752   1.441  45.153
    6  PEG    H 1975  34.782  17.284  -2.737
    6  PEG    H 1976  36.135  18.037  -1.907
    6  PEG    C 1977  35.397  18.224  -2.815
    6  PEG    H 1978  35.646  18.600  -4.900
    6  PEG    C 1979  36.278  18.183  -4.047
    6  PEG    O 1980  36.758  17.134  -4.159
    6  PEG    H 1981  37.043  18.985  -3.751
    6  PEG    C 1982  37.126  16.806  -5.200
    6  PEG    H 1983  36.899  17.343  -6.115
    6  PEG    H 1984  33.808  13.247  -3.680
    6  PEG    C 1985  34.819  13.404  -4.201
    6  PEG    H 1986  35.606  12.935  -5.727
    6  PEG    O 1987  34.968  12.701  -5.047
    6  PEG    O 1988  37.127  15.590  -1.990
    6  PEG    H 1989  36.835  16.491  -2.252
    6  PEG    H 1990  37.434  14.814  -4.469
    6  PEG    H 1991  37.346  14.795  -6.227
    6  PEG    C 1992  36.864  15.302  -5.327
    6  PEG    H 1993  34.957  15.600  -3.788
    6  PEG    H 1994  35.590  13.220  -3.386
    6  PEG    H 1995  33.944  15.141  -5.266
    6  PEG    C 1996  34.936  14.907  -4.696
    6  PEG    O 1997  35.681  15.182  -5.600
    6  PEG    H 1998  38.264  16.878  -5.032
    6  PEG    C 1999  40.424  18.189  -0.308
    6  PEG    H 2000  40.901  17.962  -1.346
    6  PEG    O 2001  39.661  18.837  -0.884
    6  PEG    O 2002  34.770  19.206  -2.773
    6  PEG    H 2003  32.494  21.125  -1.850
    6  PEG    H 2004  33.921  19.061  -0.896
    6  PEG    H 2005  34.203  21.499  -2.679
    6  PEG    C 2006  33.650  20.964  -1.775
    6  PEG    H 2007  32.978  19.156  -2.543
    6  PEG    C 2008  33.907  19.445  -1.953
    6  PEG    O 2009  33.981  21.266  -0.638
    6  PEG    C 2010  34.898  21.985  -0.613
    6  PEG    H 2011  38.337  20.274  -0.698
    6  PEG    H 2012  35.876  21.726  -1.195
    6  PEG    H 2013  34.546  22.990  -0.976
    6  PEG    H 2014  42.693  21.782  -0.325
    6  PEG    C 2015  41.988  21.706   0.552
    6  PEG    C 2016  40.404  21.041  -0.560
    6  PEG    O 2017  41.101  20.968   0.366
    6  PEG    H 2018  41.012  20.890  -1.576
    6  PEG    H 2019  42.440  20.116   1.998
    6  PEG    H 2020  39.857  22.024  -0.638
    6  PEG    C 2021  39.363  19.877  -0.338
    6  PEG    H 2022  38.770  16.315  -2.449
    6  PEG    C 2023  38.431  15.921  -0.261
    6  PEG    H 2024  38.205  14.859   0.166
    6  PEG    C 2025  38.268  15.603  -1.726
    6  PEG    H 2026  38.709  14.552  -1.889
    6  PEG    H 2027  39.558  17.405   1.589
    6  PEG    H 2028  37.583  16.588   0.145
    6  PEG    H 2029  35.298  19.279   4.801
    6  PEG    C 2030  39.979  17.022   0.582
    6  PEG    O 2031  39.547  15.965   0.100
    6  PEG    H 2032  41.398  18.670   0.233
    6  PEG    H 2033  40.939  16.427   0.781
    6  PEG    H 2034  38.086  18.612   4.781
    6  PEG    H 2035  36.863  18.814   6.158
    6  PEG    H 2036  34.408  22.264   1.480
    6  PEG    H 2037  35.730  23.273   0.933
    6  PEG    C 2038  35.369  22.150   0.881
    6  PEG    O 2039  36.247  21.372   1.172
    6  PEG    C 2040  35.859  20.285   1.415
    6  PEG    O 2041  36.345  19.012   3.284
    6  PEG    C 2042  36.813  19.502   2.315
    6  PEG    H 2043  37.196  18.592   1.654
    6  PEG    H 2044  37.798  20.105   2.359
    6  PEG    H 2045  34.895  20.164   1.943
    6  PEG    H 2046  35.747  19.648   0.467
    6  PEG    C 2047  36.285  19.668   4.282
    6  PEG    H 2048  36.120  20.827   4.250
    6  PEG    H 2049  41.490  22.660   0.903
    6  PEG    H 2050  43.812  21.206   1.610
    6  PEG    C 2051  42.675  21.211   1.788
    6  PEG    H 2052  39.086  19.739   0.711
    6  PEG    H 2053  43.013  20.707   4.225
    6  PEG    C 2054  40.924  21.157   4.321
    6  PEG    O 2055  41.002  21.371   5.463
    6  PEG    H 2056  42.557  22.488   4.264
    6  PEG    C 2057  42.342  21.491   3.778
    6  PEG    O 2058  42.376  21.911   2.697
    6  PEG    H 2059  40.888  20.094   3.942
    6  PEG    H 2060  40.205  21.851   3.825
    6  PEG    C 2061  39.956  21.584   6.041
    6  PEG    H 2062  39.447  22.557   5.776
    6  PEG    H 2063  40.459  21.788   6.999
    6  PEG    C 2064  37.399  19.378   5.314
    6  PEG    O 2065  37.952  20.395   5.662
    6  PEG    C 2066  38.993  20.300   6.263
    6  PEG    H 2067  39.622  19.424   6.045
    6  PEG    H 2068  38.752  20.323   7.390
   15  PEG    H 2069  34.782  17.284  16.145
   15  PEG    H 2070  36.135  18.037  16.975
   15  PEG    C 2071  35.397  18.224  16.066
   15  PEG    H 2072  35.646  18.600  13.982
   15  PEG    C 2073  36.278  18.183  14.835
   15  PEG    O 2074  36.758  17.134  14.723
   15  PEG    H 2075  37.043  18.985  15.131
   15  PEG    C 2076  37.126  16.806  13.682
   15  PEG    H 2077  36.899  17.343  12.767
   15  PEG    H 2078  33.808  13.247  15.201
   15  PEG    C 2079  34.819  13.404  14.680
   15  PEG    H 2080  35.606  12.935  13.155
   15  PEG    O 2081  34.968  12.701  13.835
   15  PEG    O 2082  37.127  15.590  16.892
   15  PEG    H 2083  36.835  16.491  16.629
   15  PEG    H 2084  37.434  14.814  14.412
   15  PEG    H 2085  37.346  14.795  12.655
   15  PEG    C 2086  36.864  15.302  13.555
   15  PEG    H 2087  34.957  15.600  15.094
   15  PEG    H 2088  35.590  13.220  15.496
   15  PEG    H 2089  33.944  15.141  13.615
   15  PEG    C 2090  34.936  14.907  14.186
   15  PEG    O 2091  35.681  15.182  13.281
   15  PEG    H 2092  38.264  16.878  13.850
   15  PEG    C 2093  40.424  18.189  18.574
   15  PEG    H 2094  40.901  17.962  17.535
   15  PEG    O 2095  39.661  18.837  17.998
   15  PEG    O 2096  34.770  19.206  16.109
   15  PEG    H 2097  32.494  21.125  17.032
   15  PEG    H 2098  33.921  19.061  17.986
   15  PEG    H 2099  34.203  21.499  16.203
   15  PEG    C 2100  33.650  20.964  17.107
   15  PEG    H 2101  32.978  19.156  16.339
   15  PEG    C 2102  33.907  19.445  16.929
   15  PEG    O 2103  33.981  21.266  18.244
   15  PEG    C 2104  34.898  21.985  18.268
   15  PEG    H 2105  38.337  20.274  18.184
   15  PEG    H 2106  35.876  21.726  17.687
   15  PEG    H 2107  34.546  22.990  17.906
   15  PEG    H 2108  42.693  21.782  18.556
   15  PEG    C 2109  41.988  21.706  19.434
   15  PEG    C 2110  40.404  21.041  18.322
   15  PEG    O 2111  41.101  20.968  19.248
   15  PEG    H 2112  41.012  20.890  17.306
   15  PEG    H 2113  42.440  20.116  20.879
   15  PEG    H 2114  39.857  22.024  18.244
   15  PEG    C 2115  39.363  19.877  18.543
   15  PEG    H 2116  38.770  16.315  16.433
   15  PEG    C 2117  38.431  15.921  18.621
   15  PEG    H 2118  38.205  14.859  19.048
   15  PEG    C 2119  38.268  15.603  17.156
   15  PEG    H 2120  38.709  14.552  16.993
   15  PEG    H 2121  39.558  17.405  20.471
   15  PEG    H 2122  37.583  16.588  19.027
   15  PEG    H 2123  35.298  19.279  23.683
   15  PEG    C 2124  39.979  17.022  19.463
   15  PEG    O 2125  39.547  15.965  18.982
   15  PEG    H 2126  41.398  18.670  19.115
   15  PEG    H 2127  40.939  16.427  19.663
   15  PEG    H 2128  38.086  18.612  23.663
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   27  PEG    H 2488  41.012  39.772  36.187
   27  PEG    H 2489  42.440  38.997  39.761
   27  PEG    H 2490  39.857  40.906  37.125
   27  PEG    C 2491  39.363  38.759  37.425
   27  PEG    H 2492  38.770  35.197  35.315
   27  PEG    C 2493  38.431  34.803  37.502
   27  PEG    H 2494  38.205  33.741  37.929
   27  PEG    C 2495  38.268  34.485  36.038
   27  PEG    H 2496  38.709  33.434  35.875
   27  PEG    H 2497  39.558  36.287  39.353
   27  PEG    H 2498  37.583  35.469  37.908
   27  PEG    H 2499  35.298  38.161  42.565
   27  PEG    C 2500  39.979  35.904  38.345
   27  PEG    O 2501  39.547  34.847  37.864
   27  PEG    H 2502  41.398  37.551  37.997
   27  PEG    H 2503  40.939  35.309  38.545
   27  PEG    H 2504  38.086  37.493  42.545
   27  PEG    H 2505  36.863  37.696  43.922
   27  PEG    H 2506  34.408  41.146  39.244
   27  PEG    H 2507  35.730  42.155  38.696
   27  PEG    C 2508  35.369  41.031  38.644
   27  PEG    O 2509  36.247  40.253  38.936
   27  PEG    C 2510  35.859  39.167  39.179
   27  PEG    O 2511  36.345  37.893  41.048
   27  PEG    C 2512  36.813  38.384  40.078
   27  PEG    H 2513  37.196  37.474  39.418
   27  PEG    H 2514  37.798  38.986  40.123
   27  PEG    H 2515  34.895  39.046  39.706
   27  PEG    H 2516  35.747  38.530  38.230
   27  PEG    C 2517  36.285  38.550  42.045
   27  PEG    H 2518  36.120  39.709  42.013
   27  PEG    H 2519  41.490  41.541  38.667
   27  PEG    H 2520  43.812  40.088  39.374
   27  PEG    C 2521  42.675  40.093  39.552
   27  PEG    H 2522  39.086  38.620  38.474
   27  PEG    H 2523  43.013  39.588  41.988
   27  PEG    C 2524  40.924  40.039  42.085
   27  PEG    O 2525  41.002  40.252  43.227
   27  PEG    H 2526  42.557  41.369  42.028
   27  PEG    C 2527  42.342  40.373  41.542
   27  PEG    O 2528  42.376  40.792  40.461
   27  PEG    H 2529  40.888  38.976  41.706
   27  PEG    H 2530  40.205  40.733  41.589
   27  PEG    C 2531  39.956  40.466  43.805
   27  PEG    H 2532  39.447  41.438  43.540
   27  PEG    H 2533  40.459  40.669  44.762
   27  PEG    C 2534  37.399  38.260  43.078
   27  PEG    O 2535  37.952  39.277  43.425
   27  PEG    C 2536  38.993  39.181  44.026
   27  PEG    H 2537  39.622  38.306  43.808
   27  PEG    H 2538  38.752  39.205  45.153
   28  eth    H 2539 -16.823  27.699  -1.292
   28  eth    O 2540 -16.244  28.355  -1.712
   28  eth    C 2541 -15.736  27.771  -2.916
   28  eth    H 2542 -16.561  27.516  -3.600
   28  eth    H 2543 -15.192  26.839  -2.698
   28  eth    C 2544 -14.806  28.776  -3.576
   28  eth    H 2545 -14.411  28.371  -4.514
   28  eth    H 2546 -13.963  29.014  -2.918
   28  eth    H 2547 -15.342  29.706  -3.800
   29  eth    H 2548 -14.780 -19.550  12.517
   29  eth    O 2549 -14.930 -18.617  12.294
   29  eth    C 2550 -14.031 -18.280  11.233
   29  eth    H 2551 -14.224 -18.906  10.348
   29  eth    H 2552 -12.987 -18.454  11.536
   29  eth    C 2553 -14.236 -16.814  10.886
   29  eth    H 2554 -13.576 -16.521  10.062
   29  eth    H 2555 -14.015 -16.178  11.750
   29  eth    H 2556 -15.272 -16.632  10.580
   30  eth    H 2557 -28.060 -14.631 -21.092
   30  eth    O 2558 -27.262 -14.079 -21.114
   30  eth    C 2559 -26.134 -14.959 -21.161
   30  eth    H 2560 -26.172 -15.589 -22.064
   30  eth    H 2561 -26.129 -15.634 -20.292
   30  eth    C 2562 -24.871 -14.113 -21.172
   30  eth    H 2563 -23.983 -14.752 -21.227
   30  eth    H 2564 -24.805 -13.505 -20.262
   30  eth    H 2565 -24.867 -13.440 -22.037
   31  eth    H 2566  -9.516  20.314  19.081
   31  eth    O 2567  -9.193  21.012  19.673
   31  eth    C 2568  -7.864  21.343  19.259
   31  eth    H 2569  -7.861  21.709  18.220
   31  eth    H 2570  -7.212  20.456  19.294
   31  eth    C 2571  -7.330  22.419  20.190
   31  eth    H 2572  -6.317  22.714  19.893
   31  eth    H 2573  -7.297  22.055  21.223
   31  eth    H 2574  -7.971  23.307  20.158
   32  eth    H 2575  -8.283  24.391   6.349
   32  eth    O 2576  -8.592  25.198   6.790
   32  eth    C 2577  -7.522  26.148   6.743
   32  eth    H 2578  -7.252  26.377   5.700
   32  eth    H 2579  -6.622  25.746   7.233
   32  eth    C 2580  -7.979  27.413   7.450
   32  eth    H 2581  -7.191  28.174   7.420
   32  eth    H 2582  -8.220  27.205   8.499
   32  eth    H 2583  -8.873  27.823   6.966
   33  eth    H 2584  -8.725 -24.702  18.806
   33  eth    O 2585  -8.129 -23.949  18.665
   33  eth    C 2586  -6.989 -24.434  17.950
   33  eth    H 2587  -7.291 -24.853  16.977
   33  eth    H 2588  -6.489 -25.239  18.511
   33  eth    C 2589  -6.031 -23.273  17.740
   33  eth    H 2590  -5.150 -23.601  17.178
   33  eth    H 2591  -5.697 -22.868  18.702
   33  eth    H 2592  -6.519 -22.468  17.179
   34  eth    H 2593  -4.864   5.601 -23.712
   34  eth    O 2594  -4.082   6.173 -23.655
   34  eth    C 2595  -2.960   5.412 -24.115
   34  eth    H 2596  -3.110   5.093 -25.159
   34  eth    H 2597  -2.833   4.501 -23.510
   34  eth    C 2598  -1.720   6.284 -24.012
   34  eth    H 2599  -0.839   5.741 -24.373
   34  eth    H 2600  -1.541   6.581 -22.972
   34  eth    H 2601  -1.837   7.192 -24.614
   35  eth    H 2602   5.593  -8.575 -10.109
   35  eth    O 2603   6.027  -7.719  -9.966
   35  eth    C 2604   7.294  -7.764 -10.630
   35  eth    H 2605   7.160  -7.935 -11.710
   35  eth    H 2606   7.908  -8.592 -10.242
   35  eth    C 2607   7.999  -6.438 -10.398
   35  eth    H 2608   8.969  -6.427 -10.908
   35  eth    H 2609   8.169  -6.272  -9.328
   35  eth    H 2610   7.396  -5.609 -10.784
   36  eth    H 2611  10.429 -13.155 -26.861
   36  eth    O 2612  10.708 -12.243 -27.043
   36  eth    C 2613  11.953 -12.308 -27.745
   36  eth    H 2614  11.835 -12.854 -28.694
   36  eth    H 2615  12.709 -12.845 -27.150
   36  eth    C 2616  12.419 -10.887 -28.017
   36  eth    H 2617  13.364 -10.895 -28.572
   36  eth    H 2618  12.572 -10.343 -27.078
   36  eth    H 2619  11.674 -10.346 -28.612
   37  eth    H 2620  28.327 -17.016 -27.491
   37  eth    O 2621  27.901 -16.145 -27.448
   37  eth    C 2622  28.854 -15.178 -27.901
   37  eth    H 2623  29.158 -15.390 -28.938
   37  eth    H 2624  29.764 -15.208 -27.282
   37  eth    C 2625  28.212 -13.803 -27.819
   37  eth    H 2626  28.907 -13.035 -28.176
   37  eth    H 2627  27.935 -13.567 -26.785
   37  eth    H 2628  27.307 -13.764 -28.435
   38  eth    H 2629  11.699  18.136   9.682
   38  eth    O 2630  11.915  18.994  10.081
   38  eth    C 2631  13.298  19.251   9.820
   38  eth    H 2632  13.488  19.290   8.736
   38  eth    H 2633  13.929  18.449  10.234
   38  eth    C 2634  13.663  20.582  10.459
   38  eth    H 2635  14.714  20.823  10.265
   38  eth    H 2636  13.509  20.545  11.544
   38  eth    H 2637  13.042  21.387  10.050
   39  eth    H 2638   5.318   4.228  28.288
   39  eth    O 2639   5.859   5.033  28.252
   39  eth    C 2640   7.173   4.647  27.837
   39  eth    H 2641   7.143   4.179  26.840
   39  eth    H 2642   7.602   3.909  28.532
   39  eth    C 2643   8.044   5.893  27.798
   39  eth    H 2644   9.057   5.641  27.465
   39  eth    H 2645   8.109   6.350  28.792
   39  eth    H 2646   7.626   6.632  27.105
   40  eth    H 2647   6.766  19.109  15.556
   40  eth    O 2648   7.307  19.905  15.429
   40  eth    C 2649   8.567  19.486  14.897
   40  eth    H 2650   8.430  18.975  13.931
   40  eth    H 2651   9.061  18.774  15.576
   40  eth    C 2652   9.438  20.718  14.712
   40  eth    H 2653  10.409  20.440  14.287
   40  eth    H 2654   9.610  21.218  15.672
   40  eth    H 2655   8.956  21.431  14.034
   41  eth    H 2656  13.988 -23.028 -16.133
   41  eth    O 2657  14.401 -22.150 -16.146
   41  eth    C 2658  15.587 -22.246 -16.941
   41  eth    H 2659  15.342 -22.554 -17.969
   41  eth    H 2660  16.273 -23.002 -16.528
   41  eth    C 2661  16.261 -20.883 -16.954
   41  eth    H 2662  17.167 -20.912 -17.569
   41  eth    H 2663  16.541 -20.580 -15.939
   41  eth    H 2664  15.587 -20.125 -17.367
   42  eth    H 2665  26.325  -2.693 -10.883
   42  eth    O 2666  27.027  -2.035 -11.011
   42  eth    C 2667  27.947  -2.571 -11.967
   42  eth    H 2668  27.441  -2.762 -12.927
   42  eth    H 2669  28.358  -3.531 -11.617
   42  eth    C 2670  29.068  -1.564 -12.164
   42  eth    H 2671  29.786  -1.931 -12.906
   42  eth    H 2672  29.601  -1.389 -11.222
   42  eth    H 2673  28.668  -0.606 -12.516
   43  eth    H 2674  26.050   9.754  10.361
   43  eth    O 2675  26.790  10.091  10.891
   43  eth    C 2676  27.978   9.952  10.105
   43  eth    H 2677  27.897  10.534   9.174
   43  eth    H 2678  28.137   8.900   9.821
   43  eth    C 2679  29.153  10.452  10.929
   43  eth    H 2680  30.082  10.379  10.353
   43  eth    H 2681  29.265   9.859  11.844
   43  eth    H 2682  29.005  11.500  11.214
   44  eth    H 2683   6.016 -20.214 -12.759
   44  eth    O 2684   6.403 -19.360 -12.510
   44  eth    C 2685   7.661 -19.248 -13.183
   44  eth    H 2686   7.522 -19.286 -14.275
   44  eth    H 2687   8.326 -20.082 -12.909
   44  eth    C 2688   8.295 -17.924 -12.787
   44  eth    H 2689   9.256 -17.793 -13.298
   44  eth    H 2690   8.470 -17.888 -11.705
   44  eth    H 2691   7.642 -17.088 -13.059
   45  eth    H 2692 -27.930 -26.707  23.373
   45  eth    O 2693 -27.200 -26.095  23.561
   45  eth    C 2694 -26.024 -26.628  22.943
   45  eth    H 2695 -26.164 -26.713  21.854
   45  eth    H 2696 -25.806 -27.638  23.324
   45  eth    C 2697 -24.864 -25.695  23.246
   45  eth    H 2698 -23.946 -26.061  22.773
   45  eth    H 2699 -24.694 -25.628  24.327
   45  eth    H 2700 -25.071 -24.688  22.867
   46  eth    H 2701  22.515 -20.930  10.091
   46  eth    O 2702  22.902 -20.049   9.964
   46  eth    C 2703  24.036 -20.199   9.104
   46  eth    H 2704  23.732 -20.612   8.129
   46  eth    H 2705  24.768 -20.897   9.540
   46  eth    C 2706  24.671 -18.832   8.912
   46  eth    H 2707  25.535 -18.902   8.242
   46  eth    H 2708  25.009 -18.424   9.871
   46  eth    H 2709  23.951 -18.131   8.474
   47  eth    H 2710  16.294   8.155  15.724
   47  eth    O 2711  16.551   8.849  16.351
   47  eth    C 2712  17.669   9.543  15.786
   47  eth    H 2713  17.394  10.000  14.822
   47  eth    H 2714  18.502   8.850  15.594
   47  eth    C 2715  18.103  10.621  16.766
   47  eth    H 2716  18.948  11.188  16.360
   47  eth    H 2717  18.410  10.176  17.719
   47  eth    H 2718  17.280  11.318  16.960
   48  eth    H 2719 -26.683 -19.843   2.108
   48  eth    O 2720 -26.214 -19.004   1.972
   48  eth    C 2721 -25.039 -19.289   1.207
   48  eth    H 2722 -25.307 -19.724   0.231
   48  eth    H 2723 -24.403 -20.021   1.728
   48  eth    C 2724 -24.278 -17.989   1.004
   48  eth    H 2725 -23.377 -18.163   0.404
   48  eth    H 2726 -23.976 -17.562   1.967
   48  eth    H 2727 -24.903 -17.255   0.482
   49  eth    H 2728   8.625 -22.336 -20.798
   49  eth    O 2729   8.820 -21.391 -20.909
   49  eth    C 2730   9.997 -21.289 -21.717
   49  eth    H 2731   9.831 -21.750 -22.704
   49  eth    H 2732  10.841 -21.819 -21.247
   49  eth    C 2733  10.333 -19.816 -21.882
   49  eth    H 2734  11.221 -19.695 -22.513
   49  eth    H 2735  10.534 -19.354 -20.909
   49  eth    H 2736   9.500 -19.282 -22.353
   50  eth    H 2737  12.822  13.077 -19.083
   50  eth    O 2738  13.051  13.918 -18.655
   50  eth    C 2739  14.439  14.162 -18.908
   50  eth    H 2740  14.628  14.235 -19.990
   50  eth    H 2741  15.057  13.336 -18.523
   50  eth    C 2742  14.824  15.464 -18.224
   50  eth    H 2743  15.878  15.695 -18.411
   50  eth    H 2744  14.671  15.392 -17.141
   50  eth    H 2745  14.216  16.292 -18.604
   51  eth    H 2746 -13.941 -11.145 -15.426
   51  eth    O 2747 -13.528 -10.400 -14.960
   51  eth    C 2748 -12.208 -10.242 -15.490
   51  eth    H 2749 -12.248 -10.025 -16.570
   51  eth    H 2750 -11.623 -11.166 -15.363
   51  eth    C 2751 -11.536  -9.094 -14.755
   51  eth    H 2752 -10.526  -8.929 -15.147
   51  eth    H 2753 -11.461  -9.312 -13.684
   51  eth    H 2754 -12.110  -8.169 -14.879
   52  eth    H 2755 -27.571 -18.403  19.818
   52  eth    O 2756 -26.958 -17.657  19.922
   52  eth    C 2757 -25.714 -18.038  19.326
   52  eth    H 2758 -25.848 -18.258  18.255
   52  eth    H 2759 -25.318 -18.950  19.800
   52  eth    C 2760 -24.732 -16.891  19.501
   52  eth    H 2761 -23.770 -17.138  19.040
   52  eth    H 2762 -24.565 -16.684  20.564
   52  eth    H 2763 -25.117 -15.980  19.029
   53  eth    H 2764 -29.187  -8.829   8.880
   53  eth    O 2765 -28.943  -7.942   9.190
   53  eth    C 2766 -27.578  -7.720   8.819
   53  eth    H 2767 -27.460  -7.774   7.725
   53  eth    H 2768 -26.924  -8.490   9.257
   53  eth    C 2769 -27.169  -6.343   9.317
   53  eth    H 2770 -26.132  -6.128   9.035
   53  eth    H 2771 -27.251  -6.287  10.408
   53  eth    H 2772 -27.813  -5.570   8.883
   54  eth    H 2773 -16.168 -27.392  13.014
   54  eth    O 2774 -15.518 -26.714  13.258
   54  eth    C 2775 -14.301 -27.020  12.569
   54  eth    H 2776 -14.458 -27.007  11.479
   54  eth    H 2777 -13.945 -28.027  12.836
   54  eth    C 2778 -13.262 -25.980  12.956
   54  eth    H 2779 -12.318 -26.170  12.434
   54  eth    H 2780 -13.073 -26.006  14.035
   54  eth    H 2781 -13.608 -24.974  12.691
   55  eth    H 2782   8.397  25.336   8.378
   55  eth    O 2783   8.887  26.111   8.060
   55  eth    C 2784   9.648  25.696   6.921
   55  eth    H 2785   8.984  25.327   6.124
   55  eth    H 2786  10.330  24.873   7.185
   55  eth    C 2787  10.444  26.891   6.420
   55  eth    H 2788  11.027  26.617   5.534
   55  eth    H 2789  11.133  27.247   7.194
   55  eth    H 2790   9.772  27.714   6.151
   56  eth    H 2791  16.878  -5.198  21.607
   56  eth    O 2792  17.643  -4.601  21.574
   56  eth    C 2793  18.810  -5.411  21.405
   56  eth    H 2794  18.751  -5.986  20.468
   56  eth    H 2795  18.905  -6.136  22.228
   56  eth    C 2796  20.023  -4.495  21.376
   56  eth    H 2797  20.939  -5.079  21.229
   56  eth    H 2798  20.113  -3.941  22.317
   56  eth    H 2799  19.940  -3.772  20.557
   57  eth    H 2800 -11.716 -20.499  20.314
   57  eth    O 2801 -11.499 -19.616  19.975
   57  eth    C 2802 -11.281 -19.741  18.566
   57  eth    H 2803 -12.187 -20.117  18.065
   57  eth    H 2804 -10.471 -20.457  18.358
   57  eth    C 2805 -10.918 -18.370  18.019
   57  eth    H 2806 -10.760 -18.420  16.936
   57  eth    H 2807  -9.999 -17.998  18.486
   57  eth    H 2808 -11.721 -17.651  18.218
   58  eth    H 2809 -21.971 -14.874 -11.022
   58  eth    O 2810 -21.202 -14.282 -11.057
   58  eth    C 2811 -20.035 -15.103 -11.167
   58  eth    H 2812 -20.074 -15.712 -12.084
   58  eth    H 2813 -19.964 -15.797 -10.316
   58  eth    C 2814 -18.817 -14.193 -11.200
   58  eth    H 2815 -17.901 -14.786 -11.302
   58  eth    H 2816 -18.748 -13.605 -10.278
   58  eth    H 2817 -18.877 -13.501 -12.047
   59  eth    H 2818 -10.239   0.658  -7.922
   59  eth    O 2819  -9.604   1.375  -8.082
   59  eth    C 2820  -8.406   0.780  -8.590
   59  eth    H 2821  -8.607   0.248  -9.534
   59  eth    H 2822  -8.004   0.042  -7.878
   59  eth    C 2823  -7.390   1.886  -8.825
   59  eth    H 2824  -6.461   1.471  -9.233
   59  eth    H 2825  -7.156   2.401  -7.887
   59  eth    H 2826  -7.780   2.623  -9.535
   60  eth    H 2827 -22.606  -4.587   5.075
   60  eth    O 2828 -22.010  -3.901   5.416
   60  eth    C 2829 -20.708  -4.162   4.881
   60  eth    H 2830 -20.726  -4.122   3.780
   60  eth    H 2831 -20.364  -5.169   5.166
   60  eth    C 2832 -19.753  -3.112   5.423
   60  eth    H 2833 -18.746  -3.267   5.020
   60  eth    H 2834 -19.701  -3.163   6.516
   60  eth    H 2835 -20.086  -2.106   5.140
   61  eth    H 2836   4.786  -0.092 -27.050
   61  eth    O 2837   5.621   0.344 -26.815
   61  eth    C 2838   6.537   0.121 -27.892
   61  eth    H 2839   6.147   0.550 -28.828
   61  eth    H 2840   6.684  -0.957 -28.062
   61  eth    C 2841   7.861   0.777 -27.532
   61  eth    H 2842   8.586   0.644 -28.343
   61  eth    H 2843   8.276   0.335 -26.619
   61  eth    H 2844   7.724   1.851 -27.364
   62  eth    H 2845 -10.701  20.508 -15.615
   62  eth    O 2846 -10.591  21.375 -15.193
   62  eth    C 2847  -9.249  21.805 -15.444
   62  eth    H 2848  -9.067  21.895 -16.526
   62  eth    H 2849  -8.525  21.074 -15.050
   62  eth    C 2850  -9.049  23.153 -14.770
   62  eth    H 2851  -8.035  23.525 -14.955
   62  eth    H 2852  -9.195  23.069 -13.687
   62  eth    H 2853  -9.763  23.887 -15.159
   63  eth    H 2854 -17.080 -13.091  -8.956
   63  eth    O 2855 -16.309 -12.798  -8.445
   63  eth    C 2856 -15.232 -12.606  -9.368
   63  eth    H 2857 -15.493 -11.839 -10.114
   63  eth    H 2858 -15.017 -13.537  -9.917
   63  eth    C 2859 -14.006 -12.170  -8.582
   63  eth    H 2860 -13.161 -11.995  -9.258
   63  eth    H 2861 -13.716 -12.941  -7.858
   63  eth    H 2862 -14.209 -11.243  -8.035
   64  eth    H 2863   9.188 -19.845  -8.311
   64  eth    O 2864   9.312 -18.883  -8.266
   64  eth    C 2865  10.141 -18.506  -9.369
   64  eth    H 2866   9.661 -18.772 -10.324
   64  eth    H 2867  11.106 -19.035  -9.330
   64  eth    C 2868  10.367 -17.005  -9.302
   64  eth    H 2869  10.985 -16.673 -10.144
   64  eth    H 2870  10.875 -16.731  -8.370
   64  eth    H 2871   9.411 -16.470  -9.344
   65  eth    H 2872 -12.911 -12.454  -2.083
   65  eth    O 2873 -12.369 -11.658  -2.207
   65  eth    C 2874 -11.304 -12.002  -3.100
   65  eth    H 2875 -11.704 -12.332  -4.072
   65  eth    H 2876 -10.706 -12.832  -2.694
   65  eth    C 2877 -10.429 -10.773  -3.290
   65  eth    H 2878  -9.610 -10.991  -3.984
   65  eth    H 2879  -9.998 -10.454  -2.334
   65  eth    H 2880 -11.016  -9.942  -3.698
   66  eth    H 2881  19.782  -5.884 -12.139
   66  eth    O 2882  20.396  -5.133 -12.181
   66  eth    C 2883  21.636  -5.622 -12.703
   66  eth    H 2884  21.493  -6.039 -13.713
   66  eth    H 2885  22.035  -6.430 -12.070
   66  eth    C 2886  22.619  -4.464 -12.754
   66  eth    H 2887  23.578  -4.796 -13.167
   66  eth    H 2888  22.794  -4.062 -11.750
   66  eth    H 2889  22.231  -3.658 -13.386
   67  eth    H 2890  -7.355 -25.803  -0.330
   67  eth    O 2891  -6.836 -24.998  -0.174
   67  eth    C 2892  -5.488 -25.275  -0.566
   67  eth    H 2893  -5.441 -25.543  -1.633
   67  eth    H 2894  -5.083 -26.127   0.003
   67  eth    C 2895  -4.653 -24.031  -0.307
   67  eth    H 2896  -3.614 -24.199  -0.612
   67  eth    H 2897  -4.664 -23.773   0.758
   67  eth    H 2898  -5.046 -23.179  -0.872
   68  eth    H 2899   1.724  11.855 -17.194
   68  eth    O 2900   2.267  12.283 -16.513
   68  eth    C 2901   3.524  12.611 -17.113
   68  eth    H 2902   3.382  13.301 -17.960
   68  eth    H 2903   4.016  11.708 -17.507
   68  eth    C 2904   4.400  13.263 -16.055
   68  eth    H 2905   5.368  13.546 -16.482
   68  eth    H 2906   4.577  12.574 -15.221
   68  eth    H 2907   3.919  14.165 -15.660
   69  eth    H 2908   8.891 -27.744  -5.902
   69  eth    O 2909   9.181 -26.865  -6.191
   69  eth    C 2910  10.244 -27.053  -7.132
   69  eth    H 2911   9.893 -27.631  -8.002
   69  eth    H 2912  11.072 -27.618  -6.677
   69  eth    C 2913  10.729 -25.684  -7.580
   69  eth    H 2914  11.533 -25.787  -8.318
   69  eth    H 2915  11.111 -25.111  -6.728
   69  eth    H 2916   9.911 -25.117  -8.038
   70  eth    H 2917 -20.871  27.888   0.787
   70  eth    O 2918 -20.077  28.444   0.739
   70  eth    C 2919 -18.944  27.569   0.705
   70  eth    H 2920 -18.989  26.912  -0.178
   70  eth    H 2921 -18.925  26.920   1.594
   70  eth    C 2922 -17.687  28.421   0.654
   70  eth    H 2923 -16.796  27.785   0.608
   70  eth    H 2924 -17.614  29.056   1.544
   70  eth    H 2925 -17.696  29.068  -0.231
   71  eth    H 2926 -29.016  13.539   1.103
   71  eth    O 2927 -28.343  14.185   0.837
   71  eth    C 2928 -27.208  13.450   0.367
   71  eth    H 2929 -27.482  12.826  -0.498
   71  eth    H 2930 -26.828  12.776   1.149
   71  eth    C 2931 -26.131  14.445  -0.033
   71  eth    H 2932 -25.249  13.920  -0.418
   71  eth    H 2933 -25.825  15.051   0.827
   71  eth    H 2934 -26.500  15.119  -0.815
   72  eth    H 2935  -0.572 -10.165  18.778
   72  eth    O 2936   0.135  -9.511  18.899
   72  eth    C 2937   1.074  -9.693  17.835
   72  eth    H 2938   0.588  -9.535  16.859
   72  eth    H 2939   1.475 -10.718  17.839
   72  eth    C 2940   2.202  -8.692  18.020
   72  eth    H 2941   2.935  -8.787  17.211
   72  eth    H 2942   2.715  -8.859  18.974
   72  eth    H 2943   1.813  -7.667  18.014
   73  eth    H 2944   5.811 -21.763  -3.245
   73  eth    O 2945   6.322 -20.938  -3.242
   73  eth    C 2946   7.678 -21.275  -3.555
   73  eth    H 2947   7.741 -21.745  -4.549
   73  eth    H 2948   8.079 -21.996  -2.826
   73  eth    C 2949   8.502 -19.997  -3.531
   73  eth    H 2950   9.546 -20.212  -3.785
   73  eth    H 2951   8.474 -19.537  -2.537
   73  eth    H 2952   8.111 -19.275  -4.257
   74  eth    H 2953   3.106   6.641  10.188
   74  eth    O 2954   3.777   7.342  10.204
   74  eth    C 2955   5.015   6.758   9.787
   74  eth    H 2956   4.929   6.352   8.767
   74  eth    H 2957   5.295   5.923  10.449
   74  eth    C 2958   6.086   7.837   9.828
   74  eth    H 2959   7.049   7.432   9.497
   74  eth    H 2960   6.204   8.226  10.846
   74  eth    H 2961   5.817   8.670   9.170
   75  eth    H 2962  11.853   4.838  -9.246
   75  eth    O 2963  11.926   5.800  -9.142
   75  eth    C 2964  12.545   6.313 -10.326
   75  eth    H 2965  11.934   6.083 -11.213
   75  eth    H 2966  13.533   5.853 -10.481
   75  eth    C 2967  12.689   7.819 -10.172
   75  eth    H 2968  13.144   8.253 -11.069
   75  eth    H 2969  13.323   8.060  -9.310
   75  eth    H 2970  11.710   8.286 -10.021
   76  eth    H 2971 -24.726  -8.527 -17.767
   76  eth    O 2972 -24.315  -7.682 -17.520
   76  eth    C 2973 -23.042  -7.620 -18.172
   76  eth    H 2974 -23.164  -7.666 -19.266
   76  eth    H 2975 -22.411  -8.473 -17.877
   76  eth    C 2976 -22.372  -6.314 -17.779
   76  eth    H 2977 -21.399  -6.220 -18.274
   76  eth    H 2978 -22.215  -6.270 -16.695
   76  eth    H 2979 -22.992  -5.460 -18.073
   77  eth    H 2980 -22.570 -28.885  11.567
   77  eth    O 2981 -22.630 -27.963  11.269
   77  eth    C 2982 -21.724 -27.808  10.172
   77  eth    H 2983 -21.997 -28.481   9.345
   77  eth    H 2984 -20.696 -28.063  10.476
   77  eth    C 2985 -21.785 -26.362   9.707
   77  eth    H 2986 -21.116 -26.207   8.853
   77  eth    H 2987 -21.483 -25.683  10.512
   77  eth    H 2988 -22.804 -26.100   9.399
   78  eth    H 2989 -22.187 -14.666  -3.289
   78  eth    O 2990 -22.073 -14.072  -2.530
   78  eth    C 2991 -20.883 -13.310  -2.759
   78  eth    H 2992 -20.975 -12.717  -3.683
   78  eth    H 2993 -20.013 -13.973  -2.881
   78  eth    C 2994 -20.673 -12.388  -1.569
   78  eth    H 2995 -19.779 -11.772  -1.716
   78  eth    H 2996 -20.548 -12.968  -0.648
   78  eth    H 2997 -21.534 -11.721  -1.442
   79  eth    H 2998 -20.766   6.998  26.302
   79  eth    O 2999 -20.337   7.857  26.161
   79  eth    C 3000 -20.158   8.021  24.751
   79  eth    H 3001 -21.130   8.005  24.233
   79  eth    H 3002 -19.554   7.199  24.336
   79  eth    C 3003 -19.464   9.352  24.511
   79  eth    H 3004 -19.326   9.523  23.438
   79  eth    H 3005 -18.480   9.367  24.995
   79  eth    H 3006 -20.061  10.176  24.918
   80  eth    H 3007  25.438 -11.752  18.022
   80  eth    O 3008  26.124 -11.076  17.904
   80  eth    C 3009  27.295 -11.736  17.412
   80  eth    H 3010  27.088 -12.224  16.446
   80  eth    H 3011  27.624 -12.521  18.111
   80  eth    C 3012  28.391 -10.696  17.243
   80  eth    H 3013  29.301 -11.161  16.849
   80  eth    H 3014  28.629 -10.226  18.204
   80  eth    H 3015  28.073  -9.912  16.546
   81  eth    H 3016  18.046  12.367  27.975
   81  eth    O 3017  18.830  12.940  27.957
   81  eth    C 3018  19.918  12.160  27.450
   81  eth    H 3019  19.698  11.804  26.431
   81  eth    H 3020  20.087  11.271  28.078
   81  eth    C 3021  21.162  13.034  27.438
   81  eth    H 3022  22.016  12.476  27.037
   81  eth    H 3023  21.411  13.367  28.451
   81  eth    H 3024  21.004  13.919  26.812
   82  eth    H 3025  -4.001 -16.707  14.770
   82  eth    O 3026  -3.291 -16.045  14.741
   82  eth    C 3027  -2.061 -16.745  14.530
   82  eth    H 3028  -2.088 -17.298  13.578
   82  eth    H 3029  -1.889 -17.481  15.331
   82  eth    C 3030  -0.933 -15.727  14.507
   82  eth    H 3031   0.027 -16.224  14.329
   82  eth    H 3032  -0.875 -15.192  15.462
   82  eth    H 3033  -1.095 -14.992  13.710
   83  eth    H 3034  -3.961 -15.403  -9.661
   83  eth    O 3035  -3.516 -14.559  -9.841
   83  eth    C 3036  -2.217 -14.863 -10.362
   83  eth    H 3037  -2.300 -15.442 -11.295
   83  eth    H 3038  -1.643 -15.473  -9.648
   83  eth    C 3039  -1.494 -13.552 -10.628
   83  eth    H 3040  -0.500 -13.743 -11.046
   83  eth    H 3041  -1.376 -12.981  -9.700
   83  eth    H 3042  -2.058 -12.940 -11.341
   84  eth    H 3043  26.516  17.237  18.916
   84  eth    O 3044  26.881  18.128  18.797
   84  eth    C 3045  27.640  18.120  17.584
   84  eth    H 3046  26.997  17.868  16.726
   84  eth    H 3047  28.439  17.364  17.628
   84  eth    C 3048  28.242  19.503  17.392
   84  eth    H 3049  28.817  19.543  16.460
   84  eth    H 3050  28.910  19.753  18.223
   84  eth    H 3051  27.453  20.262  17.343
   85  eth    H 3052 -14.459   1.875 -22.329
   85  eth    O 3053 -14.157   2.796 -22.279
   85  eth    C 3054 -12.956   2.895 -23.051
   85  eth    H 3055 -13.147   2.626 -24.102
   85  eth    H 3056 -12.189   2.203 -22.671
   85  eth    C 3057 -12.453   4.327 -22.966
   85  eth    H 3058 -11.541   4.448 -23.562
   85  eth    H 3059 -12.228   4.597 -21.928
   85  eth    H 3060 -13.209   5.023 -23.347
   86  eth    H 3061  10.217 -26.977   4.296
   86  eth    O 3062  10.648 -26.314   4.859
   86  eth    C 3063  11.995 -26.171   4.398
   86  eth    H 3064  12.013 -25.833   3.350
   86  eth    H 3065  12.526 -27.135   4.440
   86  eth    C 3066  12.694 -25.153   5.284
   86  eth    H 3067  13.727 -25.002   4.950
   86  eth    H 3068  12.713 -25.493   6.325
   86  eth    H 3069  12.174 -24.189   5.245
   87  eth    H 3070 -10.742  18.421   4.844
   87  eth    O 3071 -10.517  19.364   4.900
   87  eth    C 3072  -9.634  19.658   3.812
   87  eth    H 3073 -10.126  19.454   2.848
   87  eth    H 3074  -8.732  19.029   3.860
   87  eth    C 3075  -9.250  21.127   3.898
   87  eth    H 3076  -8.587  21.397   3.068
   87  eth    H 3077  -8.730  21.337   4.839
   87  eth    H 3078 -10.142  21.761   3.847
   88  eth    H 3079  25.363  -5.269  -8.407
   88  eth    O 3080  25.899  -4.462  -8.463
   88  eth    C 3081  27.157  -4.823  -9.042
   88  eth    H 3082  27.014  -5.242 -10.050
   88  eth    H 3083  27.658  -5.595  -8.436
   88  eth    C 3084  28.022  -3.575  -9.116
   88  eth    H 3085  28.991  -3.808  -9.572
   88  eth    H 3086  28.199  -3.168  -8.114
   88  eth    H 3087  27.532  -2.803  -9.720
   89  eth    H 3088 -15.827  10.591   6.585
   89  eth    O 3089 -15.280  11.352   6.331
   89  eth    C 3090 -14.600  11.005   5.121
   89  eth    H 3091 -15.323  10.785   4.319
   89  eth    H 3092 -13.986  10.102   5.263
   89  eth    C 3093 -13.720  12.177   4.718
   89  eth    H 3094 -13.194  11.956   3.782
   89  eth    H 3095 -12.974  12.384   5.494
   89  eth    H 3096 -14.324  13.079   4.570
   90  eth    H 3097   9.019   6.820 -20.560
   90  eth    O 3098   8.952   7.675 -21.014
   90  eth    C 3099   9.295   7.457 -22.387
   90  eth    H 3100   8.601   6.738 -22.850
   90  eth    H 3101  10.309   7.037 -22.474
   90  eth    C 3102   9.220   8.791 -23.112
   90  eth    H 3103   9.458   8.663 -24.174
   90  eth    H 3104   9.929   9.506 -22.681
   90  eth    H 3105   8.212   9.216 -23.033
   91  eth    H 3106  24.915  23.969  11.797
   91  eth    O 3107  24.404  24.792  11.735
   91  eth    C 3108  25.287  25.810  11.255
   91  eth    H 3109  25.680  25.545  10.261
   91  eth    H 3110  26.151  25.926  11.928
   91  eth    C 3111  24.510  27.114  11.175
   91  eth    H 3112  25.150  27.917  10.792
   91  eth    H 3113  24.142  27.406  12.165
   91  eth    H 3114  23.650  27.009  10.504
   92  eth    H 3115  21.991  24.919  29.104
   92  eth    O 3116  22.391  25.779  28.897
   92  eth    C 3117  22.584  25.831  27.480
   92  eth    H 3118  21.621  25.735  26.954
   92  eth    H 3119  23.225  25.001  27.143
   92  eth    C 3120  23.232  27.162  27.138
   92  eth    H 3121  23.380  27.248  26.056
   92  eth    H 3122  24.207  27.256  27.630
   92  eth    H 3123  22.599  27.994  27.467
   93  eth    H 3124  10.462 -13.145  20.029
   93  eth    O 3125  11.129 -12.459  19.867
   93  eth    C 3126  12.379 -13.121  19.644
   93  eth    H 3127  12.314 -13.786  18.768
   93  eth    H 3128  12.650 -13.744  20.510
   93  eth    C 3129  13.442 -12.060  19.412
   93  eth    H 3130  14.414 -12.529  19.218
   93  eth    H 3131  13.540 -11.411  20.289
   93  eth    H 3132  13.182 -11.436  18.549
   94  eth    H 3133 -18.846  13.033  -8.670
   94  eth    O 3134 -18.142  13.701  -8.688
   94  eth    C 3135 -16.925  13.028  -9.031
   94  eth    H 3136 -17.010  12.553 -10.021
   94  eth    H 3137 -16.702  12.232  -8.304
   94  eth    C 3138 -15.803  14.054  -9.042
   94  eth    H 3139 -14.855  13.579  -9.319
   94  eth    H 3140 -15.687  14.510  -8.052
   94  eth    H 3141 -16.016  14.849  -9.765
   95  eth    H 3142   4.280   7.230 -22.504
   95  eth    O 3143   4.562   8.158 -22.461
   95  eth    C 3144   5.630   8.324 -23.401
   95  eth    H 3145   5.289   8.089 -24.421
   95  eth    H 3146   6.463   7.642 -23.169
   95  eth    C 3147   6.102   9.767 -23.332
   95  eth    H 3148   6.910   9.939 -24.052
   95  eth    H 3149   6.476  10.004 -22.329
   95  eth    H 3150   5.280  10.453 -23.565
   96  eth    H 3151  18.908 -11.176   9.826
   96  eth    O 3152  19.395 -10.349   9.683
   96  eth    C 3153  20.283 -10.561   8.581
   96  eth    H 3154  19.719 -10.819   7.671
   96  eth    H 3155  20.969 -11.397   8.788
   96  eth    C 3156  21.073  -9.282   8.356
   96  eth    H 3157  21.755  -9.399   7.506
   96  eth    H 3158  21.666  -9.032   9.243
   96  eth    H 3159  20.398  -8.445   8.145
   97  eth    H 3160 -15.349   1.157   8.065
   97  eth    O 3161 -14.691   1.859   7.941
   97  eth    C 3162 -13.439   1.226   7.657
   97  eth    H 3163 -13.510   0.621   6.740
   97  eth    H 3164 -13.150   0.548   8.475
   97  eth    C 3165 -12.388   2.311   7.483
   97  eth    H 3166 -11.416   1.866   7.245
   97  eth    H 3167 -12.285   2.900   8.401
   97  eth    H 3168 -12.666   2.989   6.668
   98  eth    H 3169   6.722  25.330 -20.879
   98  eth    O 3170   7.035  26.238 -20.742
   98  eth    C 3171   7.826  26.596 -21.880
   98  eth    H 3172   7.224  26.549 -22.801
   98  eth    H 3173   8.669  25.898 -22.004
   98  eth    C 3174   8.346  28.009 -21.672
   98  eth    H 3175   8.943  28.327 -22.534
   98  eth    H 3176   8.975  28.062 -20.776
   98  eth    H 3177   7.513  28.711 -21.551
   99  eth    H 3178 -25.123  27.195  23.761
   99  eth    O 3179 -24.355  27.788  23.761
   99  eth    C 3180 -23.182  26.970  23.698
   99  eth    H 3181 -23.181  26.365  22.777
   99  eth    H 3182 -23.148  26.271  24.548
   99  eth    C 3183 -21.966  27.880  23.722
   99  eth    H 3184 -21.045  27.290  23.656
   99  eth    H 3185 -21.938  28.464  24.649
   99  eth    H 3186 -21.990  28.577  22.876
  100  eth    H 3187  -0.873 -12.442  -7.512
  100  eth    O 3188  -0.125 -11.933  -7.161
  100  eth    C 3189   1.043 -12.335  -7.884
  100  eth    H 3190   0.925 -12.124  -8.958
  100  eth    H 3191   1.213 -13.418  -7.780
  100  eth    C 3192   2.231 -11.565  -7.331
  100  eth    H 3193   3.145 -11.833  -7.874
  100  eth    H 3194   2.380 -11.792  -6.269
  100  eth    H 3195   2.072 -10.486  -7.434
  101  eth    H 3196   4.087  23.535  -9.528
  101  eth    O 3197   4.847  24.138  -9.504
  101  eth    C 3198   6.030  23.341  -9.616
  101  eth    H 3199   6.033  22.782 -10.565
  101  eth    H 3200   6.081  22.602  -8.801
  101  eth    C 3201   7.234  24.267  -9.556
  101  eth    H 3202   8.162  23.694  -9.656
  101  eth    H 3203   7.261  24.805  -8.601
  101  eth    H 3204   7.193  25.004 -10.366
  102  eth    H 3205 -29.045   1.776 -18.462
  102  eth    O 3206 -28.297   2.393 -18.508
  102  eth    C 3207 -27.101   1.611 -18.588
  102  eth    H 3208 -27.112   0.976 -19.488
  102  eth    H 3209 -27.013   0.942 -17.717
  102  eth    C 3210 -25.915   2.560 -18.638
  102  eth    H 3211 -24.978   1.997 -18.717
  102  eth    H 3212 -25.874   3.175 -17.732
  102  eth    H 3213 -25.992   3.227 -19.504
  103  eth    H 3214 -10.686 -26.218 -15.057
  103  eth    O 3215 -10.518 -25.265 -14.982
  103  eth    C 3216  -9.918 -24.838 -16.209
  103  eth    H 3217 -10.594 -25.028 -17.058
  103  eth    H 3218  -8.987 -25.393 -16.402
  103  eth    C 3219  -9.625 -23.350 -16.102
  103  eth    H 3220  -9.180 -22.981 -17.032
  103  eth    H 3221  -8.927 -23.152 -15.281
  103  eth    H 3222 -10.548 -22.789 -15.913
  104  eth    H 3223  17.305 -15.070  -2.515
  104  eth    O 3224  17.401 -14.105  -2.547
  104  eth    C 3225  18.518 -13.813  -3.394
  104  eth    H 3226  18.345 -14.201  -4.410
  104  eth    H 3227  19.432 -14.293  -3.012
  104  eth    C 3228  18.699 -12.305  -3.438
  104  eth    H 3229  19.537 -12.040  -4.093
  104  eth    H 3230  18.905 -11.911  -2.436
  104  eth    H 3231  17.794 -11.819  -3.820
  105  eth    H 3232 -25.186   4.448  -7.349
  105  eth    O 3233 -24.695   5.265  -7.533
  105  eth    C 3234 -23.480   4.894  -8.192
  105  eth    H 3235 -23.695   4.372  -9.138
  105  eth    H 3236 -22.891   4.206  -7.566
  105  eth    C 3237 -22.683   6.159  -8.467
  105  eth    H 3238 -21.751   5.917  -8.990
  105  eth    H 3239 -22.434   6.671  -7.531
  105  eth    H 3240 -23.261   6.848  -9.093
  106  eth    H 3241 -17.125   8.792  26.096
  106  eth    O 3242 -16.878   9.696  25.844
  106  eth    C 3243 -16.496   9.666  24.465
  106  eth    H 3244 -17.335   9.324  23.838
  106  eth    H 3245 -15.662   8.966  24.306
  106  eth    C 3246 -16.083  11.071  24.057
  106  eth    H 3247 -15.800  11.093  22.998
  106  eth    H 3248 -15.227  11.410  24.651
  106  eth    H 3249 -16.909  11.775  24.209
  107  eth    H 3250 -21.980 -14.406 -25.191
  107  eth    O 3251 -21.424 -13.612 -25.239
  107  eth    C 3252 -20.143 -14.016 -25.735
  107  eth    H 3253 -20.239 -14.461 -26.738
  107  eth    H 3254 -19.694 -14.778 -25.080
  107  eth    C 3255 -19.249 -12.788 -25.797
  107  eth    H 3256 -18.262 -13.054 -26.190
  107  eth    H 3257 -19.119 -12.354 -24.799
  107  eth    H 3258 -19.688 -12.025 -26.450
  108  eth    H 3259  19.670  -6.806  13.567
  108  eth    O 3260  19.970  -5.935  13.262
  108  eth    C 3261  20.301  -6.057  11.875
  108  eth    H 3262  19.419  -6.369  11.293
  108  eth    H 3263  21.078  -6.822  11.725
  108  eth    C 3264  20.796  -4.707  11.385
  108  eth    H 3265  21.043  -4.755  10.318
  108  eth    H 3266  21.693  -4.401  11.935
  108  eth    H 3267  20.026  -3.940  11.527
  109  eth    H 3268  17.172 -28.514   3.769
  109  eth    O 3269  17.319 -27.567   3.617
  109  eth    C 3270  18.292 -27.448   2.574
  109  eth    H 3271  17.928 -27.919   1.648
  109  eth    H 3272  19.228 -27.957   2.854
  109  eth    C 3273  18.555 -25.970   2.337
  109  eth    H 3274  19.284 -25.836   1.530
  109  eth    H 3275  18.949 -25.496   3.243
  109  eth    H 3276  17.629 -25.455   2.054
  110  eth    H 3277 -12.038  25.484  -5.365
  110  eth    O 3278 -11.441  26.245  -5.442
  110  eth    C 3279 -10.157  25.745  -5.829
  110  eth    H 3280 -10.220  25.225  -6.798
  110  eth    H 3281  -9.784  25.017  -5.092
  110  eth    C 3282  -9.201  26.922  -5.932
  110  eth    H 3283  -8.208  26.580  -6.245
  110  eth    H 3284  -9.104  27.427  -4.964
  110  eth    H 3285  -9.564  27.649  -6.667
  111  eth    H 3286 -18.645 -29.024  18.697
  111  eth    O 3287 -18.045 -28.297  18.465
  111  eth    C 3288 -16.975 -28.854  17.696
  111  eth    H 3289 -17.361 -29.322  16.776
  111  eth    H 3290 -16.451 -29.637  18.266
  111  eth    C 3291 -16.011 -27.733  17.343
  111  eth    H 3292 -15.183 -28.118  16.736
  111  eth    H 3293 -15.594 -27.281  18.250
  111  eth    H 3294 -16.523 -26.951  16.772
  112  eth    H 3295  -7.003   4.263  23.951
  112  eth    O 3296  -7.193   5.213  24.014
  112  eth    C 3297  -6.528   5.855  22.921
  112  eth    H 3298  -6.899   5.468  21.959
  112  eth    H 3299  -5.444   5.662  22.956
  112  eth    C 3300  -6.794   7.349  23.016
  112  eth    H 3301  -6.314   7.876  22.183
  112  eth    H 3302  -6.399   7.753  23.955
  112  eth    H 3303  -7.870   7.551  22.979
  113  eth    H 3304 -13.963 -21.568  -2.960
  113  eth    O 3305 -13.975 -20.599  -3.013
  113  eth    C 3306 -12.617 -20.160  -3.126
  113  eth    H 3307 -12.150 -20.574  -4.033
  113  eth    H 3308 -12.023 -20.506  -2.266
  113  eth    C 3309 -12.612 -18.641  -3.186
  113  eth    H 3310 -11.588 -18.267  -3.291
  113  eth    H 3311 -13.045 -18.217  -2.273
  113  eth    H 3312 -13.199 -18.289  -4.042
  114  eth    H 3313 -18.449 -17.618  -5.777
  114  eth    O 3314 -18.112 -16.708  -5.751
  114  eth    C 3315 -17.458 -16.458  -6.999
  114  eth    H 3316 -18.167 -16.566  -7.836
  114  eth    H 3317 -16.644 -17.181  -7.165
  114  eth    C 3318 -16.902 -15.044  -6.969
  114  eth    H 3319 -16.408 -14.807  -7.918
  114  eth    H 3320 -16.171 -14.933  -6.160
  114  eth    H 3321 -17.707 -14.317  -6.808
  115  eth    H 3322   7.808   4.551  16.223
  115  eth    O 3323   7.786   5.405  16.684
  115  eth    C 3324   9.077   6.004  16.537
  115  eth    H 3325   9.311   6.166  15.473
  115  eth    H 3326   9.861   5.349  16.948
  115  eth    C 3327   9.070   7.333  17.275
  115  eth    H 3328  10.040   7.833  17.170
  115  eth    H 3329   8.872   7.183  18.342
  115  eth    H 3330   8.295   7.994  16.870
  116  eth    H 3331   3.931  -7.685 -20.646
  116  eth    O 3332   3.904  -6.715 -20.642
  116  eth    C 3333   5.124  -6.250 -21.226
  116  eth    H 3334   5.221  -6.612 -22.262
  116  eth    H 3335   5.994  -6.627 -20.666
  116  eth    C 3336   5.111  -4.730 -21.207
  116  eth    H 3337   6.024  -4.334 -21.665
  116  eth    H 3338   5.048  -4.357 -20.179
  116  eth    H 3339   4.250  -4.346 -21.767
  117  eth    H 3340 -10.225   7.068  19.191
  117  eth    O 3341  -9.699   7.829  18.897
  117  eth    C 3342  -9.303   7.578  17.544
  117  eth    H 3343 -10.187   7.466  16.896
  117  eth    H 3344  -8.726   6.642  17.474
  117  eth    C 3345  -8.458   8.749  17.072
  117  eth    H 3346  -8.150   8.602  16.030
  117  eth    H 3347  -7.558   8.850  17.689
  117  eth    H 3348  -9.026   9.684  17.135
  118  eth    H 3349  26.668 -17.270  15.721
  118  eth    O 3350  27.166 -16.459  15.913
  118  eth    C 3351  27.739 -16.008  14.681
  118  eth    H 3352  26.951 -15.792  13.943
  118  eth    H 3353  28.390 -16.783  14.247
  118  eth    C 3354  28.544 -14.750  14.965
  118  eth    H 3355  28.986 -14.363  14.040
  118  eth    H 3356  29.353 -14.960  15.674
  118  eth    H 3357  27.903 -13.972  15.394
  119  eth    H 3358   8.677  -1.383   7.461
  119  eth    O 3359   9.404  -0.745   7.379
  119  eth    C 3360  10.565  -1.470   6.962
  119  eth    H 3361  10.390  -1.957   5.989
  119  eth    H 3362  10.811  -2.263   7.685
  119  eth    C 3363  11.722  -0.490   6.850
  119  eth    H 3364  12.628  -1.006   6.514
  119  eth    H 3365  11.928  -0.023   7.820
  119  eth    H 3366  11.487   0.301   6.129
  120  eth    H 3367 -12.900  18.725  22.988
  120  eth    O 3368 -12.279  19.442  22.784
  120  eth    C 3369 -11.048  18.837  22.373
  120  eth    H 3370 -11.202  18.216  21.477
  120  eth    H 3371 -10.654  18.179  23.163
  120  eth    C 3372 -10.052  19.945  22.072
  120  eth    H 3373  -9.099  19.521  21.736
  120  eth    H 3374  -9.865  20.551  22.966
  120  eth    H 3375 -10.435  20.603  21.284
  121  eth    H 3376 -29.582 -19.923  -1.555
  121  eth    O 3377 -28.820 -19.330  -1.652
  121  eth    C 3378 -27.660 -20.149  -1.833
  121  eth    H 3379 -27.762 -20.771  -2.736
  121  eth    H 3380 -27.528 -20.832  -0.979
  121  eth    C 3381 -26.451 -19.238  -1.963
  121  eth    H 3382 -25.542 -19.829  -2.122
  121  eth    H 3383 -26.319 -18.637  -1.056
  121  eth    H 3384 -26.573 -18.556  -2.813
  122  eth    H 3385   4.826  -0.219  10.023
  122  eth    O 3386   5.399   0.563   9.978
  122  eth    C 3387   6.723   0.106   9.684
  122  eth    H 3388   6.745  -0.424   8.719
  122  eth    H 3389   7.072  -0.602  10.453
  122  eth    C 3390   7.643   1.315   9.633
  122  eth    H 3391   8.666   1.006   9.392
  122  eth    H 3392   7.656   1.832  10.600
  122  eth    H 3393   7.306   2.023   8.868
  123  eth    H 3394 -11.264  -0.354  17.824
  123  eth    O 3395 -10.734   0.410  18.104
  123  eth    C 3396  -9.398   0.197  17.634
  123  eth    H 3397  -9.382   0.119  16.536
  123  eth    H 3398  -8.988  -0.742  18.036
  123  eth    C 3399  -8.545   1.373  18.083
  123  eth    H 3400  -7.516   1.256  17.726
  123  eth    H 3401  -8.527   1.442  19.177
  123  eth    H 3402  -8.944   2.312  17.685
  124  eth    H 3403   2.569  -3.036 -11.136
  124  eth    O 3404   3.263  -2.357 -11.139
  124  eth    C 3405   4.228  -2.738 -12.125
  124  eth    H 3406   3.762  -2.795 -13.122
  124  eth    H 3407   4.644  -3.732 -11.901
  124  eth    C 3408   5.337  -1.698 -12.130
  124  eth    H 3409   6.089  -1.945 -12.887
  124  eth    H 3410   5.830  -1.654 -11.152
  124  eth    H 3411   4.932  -0.705 -12.356
  125  eth    H 3412 -21.048 -28.236 -24.632
  125  eth    O 3413 -20.334 -27.588 -24.745
  125  eth    C 3414 -19.122 -28.320 -24.953
  125  eth    H 3415 -19.198 -28.947 -25.856
  125  eth    H 3416 -18.920 -28.991 -24.104
  125  eth    C 3417 -17.986 -27.321 -25.109
  125  eth    H 3418 -17.040 -27.844 -25.290
  125  eth    H 3419 -17.879 -26.713 -24.204
  125  eth    H 3420 -18.177 -26.651 -25.955
  126  eth    H 3421  15.734 -27.259  -2.439
  126  eth    O 3422  16.537 -26.715  -2.399
  126  eth    C 3423  17.659 -27.600  -2.480
  126  eth    H 3424  17.641 -28.162  -3.427
  126  eth    H 3425  17.634 -28.336  -1.661
  126  eth    C 3426  18.928 -26.767  -2.394
  126  eth    H 3427  19.812 -27.410  -2.471
  126  eth    H 3428  18.973 -26.228  -1.441
  126  eth    H 3429  18.962 -26.034  -3.208
  127  eth    H 3430  22.508   9.101 -23.182
  127  eth    O 3431  22.436  10.069 -23.189
  127  eth    C 3432  23.620  10.581 -23.809
  127  eth    H 3433  23.708  10.210 -24.842
  127  eth    H 3434  24.519  10.252 -23.265
  127  eth    C 3435  23.537  12.099 -23.808
  127  eth    H 3436  24.420  12.530 -24.293
  127  eth    H 3437  23.482  12.483 -22.783
  127  eth    H 3438  22.646  12.435 -24.351
  128  eth    H 3439   6.569  10.426  27.332
  128  eth    O 3440   6.742  11.348  27.582
  128  eth    C 3441   7.575  11.916  26.566
  128  eth    H 3442   7.069  11.887  25.588
  128  eth    H 3443   8.512  11.347  26.466
  128  eth    C 3444   7.878  13.355  26.950
  128  eth    H 3445   8.501  13.832  26.185
  128  eth    H 3446   8.412  13.396  27.907
  128  eth    H 3447   6.951  13.931  27.049
  129  eth    H 3448 -10.510 -12.007 -17.949
  129  eth    O 3449 -10.426 -11.178 -17.450
  129  eth    C 3450  -9.411 -10.396 -18.089
  129  eth    H 3451  -9.692 -10.173 -19.130
  129  eth    H 3452  -8.457 -10.944 -18.117
  129  eth    C 3453  -9.247  -9.102 -17.307
  129  eth    H 3454  -8.489  -8.466 -17.777
  129  eth    H 3455  -8.936  -9.310 -16.277
  129  eth    H 3456 -10.193  -8.549 -17.277
  130  eth    H 3457  -0.421  24.634  26.940
  130  eth    O 3458   0.291  25.290  26.879
  130  eth    C 3459   1.456  24.614  26.395
  130  eth    H 3460   1.268  24.180  25.401
  130  eth    H 3461   1.734  23.786  27.066
  130  eth    C 3462   2.591  25.622  26.315
  130  eth    H 3463   3.500  25.144  25.930
  130  eth    H 3464   2.811  26.037  27.305
  130  eth    H 3465   2.325  26.448  25.646
  131  eth    H 3466 -16.820  10.784 -18.769
  131  eth    O 3467 -16.952  11.721 -18.553
  131  eth    C 3468 -15.921  12.461 -19.215
  131  eth    H 3469 -15.984  12.321 -20.306
  131  eth    H 3470 -14.926  12.114 -18.898
  131  eth    C 3471 -16.096  13.931 -18.870
  131  eth    H 3472 -15.334  14.535 -19.375
  131  eth    H 3473 -16.003  14.088 -17.789
  131  eth    H 3474 -17.083  14.286 -19.186
  132  eth    H 3475  13.607 -10.138  19.233
  132  eth    O 3476  13.894  -9.222  19.378
  132  eth    C 3477  15.313  -9.184  19.198
  132  eth    H 3478  15.582  -9.498  18.177
  132  eth    H 3479  15.813  -9.875  19.894
  132  eth    C 3480  15.785  -7.761  19.445
  132  eth    H 3481  16.869  -7.687  19.298
  132  eth    H 3482  15.553  -7.448  20.469
  132  eth    H 3483  15.295  -7.067  18.753
  133  eth    H 3484  -6.717   9.736   7.868
  133  eth    O 3485  -6.321  10.622   7.895
  133  eth    C 3486  -5.464  10.743   6.754
  133  eth    H 3487  -6.040  10.624   5.823
  133  eth    H 3488  -4.691   9.959   6.763
  133  eth    C 3489  -4.816  12.117   6.792
  133  eth    H 3490  -4.164  12.255   5.922
  133  eth    H 3491  -4.213  12.236   7.699
  133  eth    H 3492  -5.579  12.903   6.779
  134  eth    H 3493  -6.260  27.316  21.321
  134  eth    O 3494  -5.689  28.101  21.341
  134  eth    C 3495  -4.454  27.747  20.711
  134  eth    H 3496  -4.625  27.441  19.667
  134  eth    H 3497  -3.981  26.897  21.227
  134  eth    C 3498  -3.536  28.958  20.753
  134  eth    H 3499  -2.583  28.732  20.262
  134  eth    H 3500  -3.331  29.252  21.788
  134  eth    H 3501  -3.997  29.808  20.237
  135  eth    H 3502  -6.660 -12.455  -0.690
  135  eth    O 3503  -6.048 -11.711  -0.573
  135  eth    C 3504  -4.725 -12.203  -0.810
  135  eth    H 3505  -4.635 -12.596  -1.835
  135  eth    H 3506  -4.486 -13.028  -0.121
  135  eth    C 3507  -3.748 -11.056  -0.607
  135  eth    H 3508  -2.722 -11.389  -0.798
  135  eth    H 3509  -3.804 -10.677   0.420
  135  eth    H 3510  -3.977 -10.231  -1.292
  136  eth    H 3511  -8.635  -0.662  28.151
  136  eth    O 3512  -7.987   0.005  28.429
  136  eth    C 3513  -6.715  -0.390  27.905
  136  eth    H 3514  -6.747  -0.436  26.805
  136  eth    H 3515  -6.438  -1.392  28.266
  136  eth    C 3516  -5.681   0.631  28.351
  136  eth    H 3517  -4.693   0.372  27.953
  136  eth    H 3518  -5.616   0.663  29.445
  136  eth    H 3519  -5.947   1.631  27.992
  137  eth    H 3520   1.834  -5.757 -17.758
  137  eth    O 3521   2.388  -4.962 -17.693
  137  eth    C 3522   3.748  -5.374 -17.863
  137  eth    H 3523   3.891  -5.844 -18.849
  137  eth    H 3524   4.029  -6.119 -17.102
  137  eth    C 3525   4.635  -4.146 -17.741
  137  eth    H 3526   5.687  -4.418 -17.884
  137  eth    H 3527   4.527  -3.687 -16.751
  137  eth    H 3528   4.365  -3.400 -18.498
  138  eth    H 3529  21.233 -13.277 -22.339
  138  eth    O 3530  21.017 -12.368 -22.601
  138  eth    C 3531  21.771 -12.072 -23.781
  138  eth    H 3532  21.503 -12.764 -24.595
  138  eth    H 3533  22.850 -12.188 -23.595
  138  eth    C 3534  21.464 -10.642 -24.194
  138  eth    H 3535  22.010 -10.382 -25.108
  138  eth    H 3536  21.757  -9.940 -23.404
  138  eth    H 3537  20.392 -10.518 -24.385
  139  eth    H 3538  -7.582 -22.683  11.837
  139  eth    O 3539  -8.005 -21.815  11.738
  139  eth    C 3540  -7.030 -20.923  11.188
  139  eth    H 3541  -6.689 -21.281  10.204
  139  eth    H 3542  -6.145 -20.864  11.840
  139  eth    C 3543  -7.668 -19.550  11.048
  139  eth    H 3544  -6.956 -18.841  10.612
  139  eth    H 3545  -7.982 -19.168  12.026
  139  eth    H 3546  -8.549 -19.600  10.398
  140  eth    H 3547  18.397  19.984  13.820
  140  eth    O 3548  19.038  20.682  13.612
  140  eth    C 3549  20.050  20.101  12.784
  140  eth    H 3550  19.612  19.713  11.851
  140  eth    H 3551  20.534  19.255  13.294
  140  eth    C 3552  21.078  21.176  12.466
  140  eth    H 3553  21.862  20.773  11.816
  140  eth    H 3554  21.545  21.547  13.385
  140  eth    H 3555  20.604  22.021  11.954
  141  eth    H 3556  26.171  -7.753  -4.209
  141  eth    O 3557  26.320  -6.802  -4.086
  141  eth    C 3558  27.440  -6.436  -4.899
  141  eth    H 3559  27.232  -6.642  -5.961
  141  eth    H 3560  28.332  -7.020  -4.621
  141  eth    C 3561  27.706  -4.952  -4.702
  141  eth    H 3562  28.548  -4.629  -5.324
  141  eth    H 3563  27.947  -4.739  -3.654
  141  eth    H 3564  26.824  -4.363  -4.980
  142  eth    H 3565  -1.928 -14.351   8.504
  142  eth    O 3566  -1.192 -13.723   8.430
  142  eth    C 3567  -0.245 -14.279   7.511
  142  eth    H 3568  -0.706 -14.426   6.522
  142  eth    H 3569   0.104 -15.264   7.859
  142  eth    C 3570   0.928 -13.320   7.400
  142  eth    H 3571   1.669 -13.703   6.689
  142  eth    H 3572   1.416 -13.190   8.373
  142  eth    H 3573   0.590 -12.337   7.050
  143  eth    H 3574   9.402 -27.489  18.679
  143  eth    O 3575   9.945 -26.705  18.857
  143  eth    C 3576  11.268 -26.985  18.386
  143  eth    H 3577  11.259 -27.191  17.305
  143  eth    H 3578  11.679 -27.876  18.886
  143  eth    C 3579  12.141 -25.775  18.677
  143  eth    H 3580  13.161 -25.944  18.314
  143  eth    H 3581  12.185 -25.580  19.755
  143  eth    H 3582  11.741 -24.884  18.181
  144  eth    H 3583 -22.680  23.370  15.066
  144  eth    O 3584 -21.921  23.975  15.052
  144  eth    C 3585 -20.737  23.174  14.991
  144  eth    H 3586 -20.733  22.556  14.079
  144  eth    H 3587 -20.684  22.489  15.851
  144  eth    C 3588 -19.534  24.104  14.992
  144  eth    H 3589 -18.605  23.527  14.928
  144  eth    H 3590 -19.508  24.702  15.910
  144  eth    H 3591 -19.576  24.788  14.137
  145  eth    H 3592 -11.847   7.985   0.148
  145  eth    O 3593 -11.197   8.636  -0.162
  145  eth    C 3594 -10.184   7.922  -0.877
  145  eth    H 3595 -10.618   7.394  -1.741
  145  eth    H 3596  -9.713   7.163  -0.233
  145  eth    C 3597  -9.143   8.923  -1.351
  145  eth    H 3598  -8.356   8.415  -1.921
  145  eth    H 3599  -8.679   9.432  -0.498
  145  eth    H 3600  -9.603   9.680  -1.996
  146  eth    H 3601  25.413   9.285  24.855
  146  eth    O 3602  26.209   9.836  24.789
  146  eth    C 3603  27.328   8.957  24.637
  146  eth    H 3604  27.222   8.349  23.725
  146  eth    H 3605  27.395   8.260  25.488
  146  eth    C 3606  28.588   9.802  24.555
  146  eth    H 3607  29.468   9.163  24.419
  146  eth    H 3608  28.722  10.387  25.472
  146  eth    H 3609  28.532  10.496  23.708
  147  eth    H 3610   6.527 -20.592 -27.809
  147  eth    O 3611   6.146 -19.717 -27.635
  147  eth    C 3612   7.210 -18.763 -27.719
  147  eth    H 3613   7.664 -18.776 -28.722
  147  eth    H 3614   8.006 -19.003 -26.997
  147  eth    C 3615   6.638 -17.386 -27.426
  147  eth    H 3616   7.421 -16.623 -27.498
  147  eth    H 3617   6.212 -17.351 -26.416
  147  eth    H 3618   5.846 -17.138 -28.142
  148  eth    H 3619  18.503 -10.579   0.727
  148  eth    O 3620  19.180  -9.904   0.559
  148  eth    C 3621  19.716 -10.150  -0.745
  148  eth    H 3622  18.926 -10.077  -1.509
  148  eth    H 3623  20.140 -11.164  -0.807
  148  eth    C 3624  20.797  -9.116  -1.016
  148  eth    H 3625  21.221  -9.260  -2.016
  148  eth    H 3626  21.605  -9.199  -0.281
  148  eth    H 3627  20.383  -8.102  -0.959
  149  eth    H 3628 -24.835  12.124   1.825
  149  eth    O 3629 -24.117  12.737   2.051
  149  eth    C 3630 -22.959  12.328   1.316
  149  eth    H 3631 -23.152  12.369   0.232
  149  eth    H 3632 -22.688  11.290   1.561
  149  eth    C 3633 -21.815  13.263   1.674
  149  eth    H 3634 -20.912  12.993   1.115
  149  eth    H 3635 -21.590  13.207   2.745
  149  eth    H 3636 -22.074  14.300   1.430
  150  eth    H 3637 -12.671  15.436 -23.243
  150  eth    O 3638 -11.880  15.997 -23.262
  150  eth    C 3639 -10.741  15.130 -23.296
  150  eth    H 3640 -10.764  14.495 -24.195
  150  eth    H 3641 -10.734  14.460 -22.422
  150  eth    C 3642  -9.489  15.992 -23.302
  150  eth    H 3643  -8.593  15.363 -23.346
  150  eth    H 3644  -9.437  16.606 -22.395
  150  eth    H 3645  -9.485  16.659 -24.171
  151  eth    H 3646   6.689  -6.391   0.582
  151  eth    O 3647   6.943  -5.454   0.565
  151  eth    C 3648   7.607  -5.213  -0.680
  151  eth    H 3649   6.935  -5.429  -1.525
  151  eth    H 3650   8.486  -5.866  -0.786
  151  eth    C 3651   8.033  -3.754  -0.715
  151  eth    H 3652   8.531  -3.525  -1.664
  151  eth    H 3653   8.729  -3.535   0.103
  151  eth    H 3654   7.163  -3.096  -0.614
  152  eth    H 3655 -10.242  -1.395  14.976
  152  eth    O 3656  -9.529  -0.752  15.119
  152  eth    C 3657  -8.302  -1.383  14.736
  152  eth    H 3658  -8.330  -1.672  13.673
  152  eth    H 3659  -8.136  -2.301  15.320
  152  eth    C 3660  -7.168  -0.399  14.976
  152  eth    H 3661  -6.211  -0.840  14.676
  152  eth    H 3662  -7.109  -0.129  16.036
  152  eth    H 3663  -7.324   0.517  14.395
  153  eth    H 3664 -14.741 -19.127 -15.487
  153  eth    O 3665 -13.997 -18.507 -15.555
  153  eth    C 3666 -12.804 -19.286 -15.695
  153  eth    H 3667 -12.851 -19.908 -16.602
  153  eth    H 3668 -12.679 -19.966 -14.838
  153  eth    C 3669 -11.623 -18.332 -15.780
  153  eth    H 3670 -10.689 -18.892 -15.906
  153  eth    H 3671 -11.546 -17.730 -14.868
  153  eth    H 3672 -11.737 -17.654 -16.633
  154  eth    H 3673  -3.315 -20.364  11.434
  154  eth    O 3674  -2.949 -19.468  11.507
  154  eth    C 3675  -2.293 -19.172  10.270
  154  eth    H 3676  -3.008 -19.212   9.433
  154  eth    H 3677  -1.503 -19.911  10.060
  154  eth    C 3678  -1.691 -17.780  10.373
  154  eth    H 3679  -1.193 -17.509   9.435
  154  eth    H 3680  -0.952 -17.737  11.182
  154  eth    H 3681  -2.470 -17.038  10.578
  155  eth    H 3682  -0.131   6.907 -19.904
  155  eth    O 3683  -0.016   7.858 -20.060
  155  eth    C 3684   0.772   8.005 -21.246
  155  eth    H 3685   0.263   7.548 -22.109
  155  eth    H 3686   1.744   7.499 -21.134
  155  eth    C 3687   0.984   9.490 -21.494
  155  eth    H 3688   1.570   9.645 -22.407
  155  eth    H 3689   1.519   9.949 -20.656
  155  eth    H 3690   0.021  10.001 -21.610
  156  eth    H 3691  12.410  24.388  10.258
  156  eth    O 3692  13.012  25.148  10.240
  156  eth    C 3693  14.247  24.702   9.670
  156  eth    H 3694  14.089  24.330   8.645
  156  eth    H 3695  14.670  23.872  10.257
  156  eth    C 3696  15.214  25.875   9.654
  156  eth    H 3697  16.168  25.577   9.206
  156  eth    H 3698  15.405  26.233  10.671
  156  eth    H 3699  14.802  26.705   9.068
  157  eth    H 3700  -6.453  14.120 -26.962
  157  eth    O 3701  -6.318  15.069 -26.808
  157  eth    C 3702  -5.041  15.414 -27.353
  157  eth    H 3703  -5.012  15.208 -28.434
  157  eth    H 3704  -4.243  14.817 -26.885
  157  eth    C 3705  -4.801  16.894 -27.100
  157  eth    H 3706  -3.837  17.201 -27.520
  157  eth    H 3707  -4.794  17.106 -26.025
  157  eth    H 3708  -5.589  17.496 -27.566
  158  eth    H 3709  27.027  21.840  -7.561
  158  eth    O 3710  27.276  22.690  -7.959
  158  eth    C 3711  28.154  22.407  -9.054
  158  eth    H 3712  27.648  21.782  -9.806
  158  eth    H 3713  29.041  21.852  -8.710
  158  eth    C 3714  28.576  23.728  -9.677
  158  eth    H 3715  29.237  23.553 -10.533
  158  eth    H 3716  29.111  24.347  -8.947
  158  eth    H 3717  27.700  24.287 -10.025
  159  eth    H 3718  25.377  -5.925 -23.557
  159  eth    O 3719  26.074  -5.265 -23.701
  159  eth    C 3720  27.155  -5.924 -24.369
  159  eth    H 3721  26.823  -6.328 -25.338
  159  eth    H 3722  27.524  -6.771 -23.771
  159  eth    C 3723  28.268  -4.912 -24.583
  159  eth    H 3724  29.110  -5.375 -25.110
  159  eth    H 3725  28.630  -4.526 -23.623
  159  eth    H 3726  27.910  -4.066 -25.181
  160  eth    H 3727 -23.957   1.898   8.390
  160  eth    O 3728 -23.178   2.476   8.391
  160  eth    C 3729 -22.025   1.641   8.236
  160  eth    H 3730 -22.073   1.087   7.286
  160  eth    H 3731 -21.972   0.896   9.046
  160  eth    C 3732 -20.790   2.527   8.260
  160  eth    H 3733 -19.885   1.924   8.125
  160  eth    H 3734 -20.714   3.058   9.215
  160  eth    H 3735 -20.834   3.269   7.455
  161  eth    H 3736  10.761   9.488   5.293
  161  eth    O 3737  11.297  10.293   5.221
  161  eth    C 3738  12.660   9.886   5.060
  161  eth    H 3739  12.779   9.281   4.147
  161  eth    H 3740  12.985   9.265   5.909
  161  eth    C 3741  13.521  11.136   4.969
  161  eth    H 3742  14.573  10.865   4.827
  161  eth    H 3743  13.437  11.731   5.886
  161  eth    H 3744  13.207  11.759   4.124
  162  eth    H 3745 -19.708  15.526  23.906
  162  eth    O 3746 -19.132  16.306  23.865
  162  eth    C 3747 -17.918  15.908  23.219
  162  eth    H 3748 -18.122  15.545  22.199
  162  eth    H 3749 -17.436  15.084  23.768
  162  eth    C 3750 -16.991  17.111  23.166
  162  eth    H 3751 -16.055  16.851  22.661
  162  eth    H 3752 -16.754  17.461  24.177
  162  eth    H 3753 -17.462  17.935  22.618
  163  eth    H 3754   3.414  -8.699  23.384
  163  eth    O 3755   4.046  -8.023  23.089
  163  eth    C 3756   5.222  -8.705  22.641
  163  eth    H 3757   4.984  -9.379  21.803
  163  eth    H 3758   5.646  -9.323  23.448
  163  eth    C 3759   6.234  -7.663  22.196
  163  eth    H 3760   7.145  -8.148  21.828
  163  eth    H 3761   6.505  -7.005  23.030
  163  eth    H 3762   5.822  -7.045  21.390
  164  eth    H 3763  -5.691  22.685  10.185
  164  eth    O 3764  -5.361  23.596  10.131
  164  eth    C 3765  -4.013  23.534   9.651
  164  eth    H 3766  -3.978  23.068   8.653
  164  eth    H 3767  -3.389  22.923  10.320
  164  eth    C 3768  -3.469  24.952   9.580
  164  eth    H 3769  -2.442  24.948   9.198
  164  eth    H 3770  -3.468  25.415  10.573
  164  eth    H 3771  -4.084  25.567   8.913
  165  eth    H 3772  -1.945  -7.453  -9.141
  165  eth    O 3773  -1.414  -6.662  -9.327
  165  eth    C 3774  -0.666  -6.920 -10.520
  165  eth    H 3775  -1.341  -7.120 -11.366
  165  eth    H 3776  -0.027  -7.808 -10.395
  165  eth    C 3777   0.191  -5.700 -10.816
  165  eth    H 3778   0.767  -5.852 -11.735
  165  eth    H 3779   0.891  -5.510  -9.995
  165  eth    H 3780  -0.438  -4.811 -10.945
  166  eth    H 3781   5.188 -23.243   8.832
  166  eth    O 3782   5.985 -22.691   8.790
  166  eth    C 3783   7.112 -23.572   8.724
  166  eth    H 3784   7.056 -24.207   7.827
  166  eth    H 3785   7.136 -24.241   9.598
  166  eth    C 3786   8.374 -22.725   8.682
  166  eth    H 3787   9.261 -23.364   8.613
  166  eth    H 3788   8.458 -22.111   9.586
  166  eth    H 3789   8.360 -22.058   7.812
  167  eth    H 3790  -0.309   6.096 -27.741
  167  eth    O 3791   0.389   6.752 -27.898
  167  eth    C 3792   1.554   6.043 -28.330
  167  eth    H 3793   1.350   5.493 -29.262
  167  eth    H 3794   1.864   5.304 -27.575
  167  eth    C 3795   2.667   7.053 -28.558
  167  eth    H 3796   3.575   6.549 -28.909
  167  eth    H 3797   2.903   7.585 -27.630
  167  eth    H 3798   2.369   7.791 -29.312
  168  eth    H 3799 -19.732 -13.346  20.640
  168  eth    O 3800 -18.867 -13.137  21.027
  168  eth    C 3801 -17.918 -13.100  19.956
  168  eth    H 3802 -18.191 -12.325  19.222
  168  eth    H 3803 -17.894 -14.062  19.422
  168  eth    C 3804 -16.550 -12.796  20.545
  168  eth    H 3805 -15.796 -12.740  19.752
  168  eth    H 3806 -16.251 -13.577  21.253
  168  eth    H 3807 -16.564 -11.837  21.076
  169  eth    H 3808  25.023   0.836 -26.902
  169  eth    O 3809  25.761   1.453 -26.773
  169  eth    C 3810  26.969   0.744 -27.068
  169  eth    H 3811  26.964   0.388 -28.110
  169  eth    H 3812  27.070  -0.141 -26.421
  169  eth    C 3813  28.140   1.688 -26.847
  169  eth    H 3814  29.085   1.186 -27.082
  169  eth    H 3815  28.175   2.024 -25.805
  169  eth    H 3816  28.049   2.571 -27.491
  170  eth    H 3817  12.004  12.281 -13.656
  170  eth    O 3818  12.477  13.110 -13.479
  170  eth    C 3819  13.541  13.206 -14.432
  170  eth    H 3820  13.143  13.220 -15.458
  170  eth    H 3821  14.214  12.338 -14.354
  170  eth    C 3822  14.310  14.488 -14.156
  170  eth    H 3823  15.125  14.607 -14.879
  170  eth    H 3824  14.740  14.472 -13.148
  170  eth    H 3825  13.648  15.358 -14.235
  171  eth    H 3826   8.314  -9.843  -7.147
  171  eth    O 3827   9.012  -9.190  -6.979
  171  eth    C 3828  10.265  -9.822  -7.256
  171  eth    H 3829  10.311 -10.149  -8.307
  171  eth    H 3830  10.398 -10.718  -6.629
  171  eth    C 3831  11.374  -8.821  -6.976
  171  eth    H 3832  12.352  -9.263  -7.195
  171  eth    H 3833  11.360  -8.512  -5.925
  171  eth    H 3834  11.252  -7.927  -7.599
  172  eth    H 3835  16.037   0.149  -8.450
  172  eth    O 3836  16.754   0.800  -8.517
  172  eth    C 3837  17.974   0.074  -8.701
  172  eth    H 3838  17.933  -0.526  -9.623
  172  eth    H 3839  18.144  -0.622  -7.865
  172  eth    C 3840  19.114   1.077  -8.784
  172  eth    H 3841  20.067   0.559  -8.944
  172  eth    H 3842  19.187   1.658  -7.858
  172  eth    H 3843  18.955   1.772  -9.616
  173  eth    H 3844 -18.073  26.235 -26.422
  173  eth    O 3845 -17.209  26.589 -26.156
  173  eth    C 3846 -16.416  26.716 -27.340
  173  eth    H 3847 -16.894  27.405 -28.055
  173  eth    H 3848 -16.310  25.743 -27.845
  173  eth    C 3849 -15.049  27.249 -26.941
  173  eth    H 3850 -14.416  27.377 -27.826
  173  eth    H 3851 -14.549  26.556 -26.255
  173  eth    H 3852 -15.146  28.219 -26.441
  174  eth    H 3853  27.322  19.727 -14.096
  174  eth    O 3854  27.142  20.680 -14.077
  174  eth    C 3855  27.754  21.253 -15.237
  174  eth    H 3856  27.330  20.816 -16.155
  174  eth    H 3857  28.836  21.051 -15.248
  174  eth    C 3858  27.505  22.753 -15.214
  174  eth    H 3859  27.943  23.227 -16.099
  174  eth    H 3860  27.951  23.205 -14.321
  174  eth    H 3861  26.429  22.964 -15.207
  175  eth    H 3862  12.449 -13.759   0.627
  175  eth    O 3863  12.866 -12.882   0.638
  175  eth    C 3864  14.197 -13.036   0.134
  175  eth    H 3865  14.178 -13.423  -0.898
  175  eth    H 3866  14.765 -13.757   0.743
  175  eth    C 3867  14.877 -11.677   0.166
  175  eth    H 3868  15.895 -11.750  -0.232
  175  eth    H 3869  14.931 -11.296   1.192
  175  eth    H 3870  14.320 -10.954  -0.441
  176  eth    H 3871 -24.726   8.362   5.790
  176  eth    O 3872 -24.360   9.248   5.940
  176  eth    C 3873 -23.088   9.303   5.285
  176  eth    H 3874 -23.202   9.129   4.203
  176  eth    H 3875 -22.416   8.522   5.673
  176  eth    C 3876 -22.487  10.677   5.529
  176  eth    H 3877 -21.518  10.765   5.026
  176  eth    H 3878 -22.339  10.849   6.601
  176  eth    H 3879 -23.149  11.461   5.143
  177  eth    H 3880 -20.456 -27.085 -18.428
  177  eth    O 3881 -19.862 -26.420 -18.813
  177  eth    C 3882 -19.020 -27.093 -19.755
  177  eth    H 3883 -19.623 -27.556 -20.552
  177  eth    H 3884 -18.453 -27.899 -19.264
  177  eth    C 3885 -18.066 -26.072 -20.352
  177  eth    H 3886 -17.414 -26.547 -21.094
  177  eth    H 3887 -17.437 -25.628 -19.572
  177  eth    H 3888 -18.623 -25.268 -20.845
  178  eth    H 3889  20.474  -6.245  15.696
  178  eth    O 3890  21.046  -5.466  15.610
  178  eth    C 3891  22.374  -5.935  15.356
  178  eth    H 3892  22.407  -6.522  14.425
  178  eth    H 3893  22.717  -6.594  16.170
  178  eth    C 3894  23.291  -4.728  15.242
  178  eth    H 3895  24.317  -5.046  15.029
  178  eth    H 3896  23.292  -4.154  16.175
  178  eth    H 3897  22.958  -4.069  14.432
  179  eth    H 3898  23.417  -6.452  27.959
  179  eth    O 3899  23.664  -5.559  28.248
  179  eth    C 3900  24.486  -4.989  27.224
  179  eth    H 3901  23.935  -4.930  26.273
  179  eth    H 3902  25.377  -5.612  27.048
  179  eth    C 3903  24.902  -3.597  27.670
  179  eth    H 3904  25.521  -3.119  26.902
  179  eth    H 3905  25.480  -3.645  28.600
  179  eth    H 3906  24.021  -2.969  27.845
  180  eth    H 3907  -3.880   1.902  -5.923
  180  eth    O 3908  -3.153   2.541  -5.848
  180  eth    C 3909  -2.001   1.953  -6.459
  180  eth    H 3910  -2.194   1.737  -7.522
  180  eth    H 3911  -1.745   0.999  -5.973
  180  eth    C 3912  -0.844   2.930  -6.330
  180  eth    H 3913   0.056   2.522  -6.805
  180  eth    H 3914  -0.620   3.128  -5.276
  180  eth    H 3915  -1.088   3.882  -6.815
  181  eth    H 3916  -2.608   7.550   9.741
  181  eth    O 3917  -2.077   8.341   9.931
  181  eth    C 3918  -0.804   8.163   9.302
  181  eth    H 3919  -0.922   8.050   8.212
  181  eth    H 3920  -0.309   7.252   9.673
  181  eth    C 3921   0.051   9.382   9.607
  181  eth    H 3922   1.031   9.291   9.126
  181  eth    H 3923   0.203   9.487  10.687
  181  eth    H 3924  -0.433  10.293   9.237
  182  eth    H 3925  11.700   4.395 -15.806
  182  eth    O 3926  12.420   5.039 -15.709
  182  eth    C 3927  13.100   5.112 -16.966
  182  eth    H 3928  12.412   5.445 -17.760
  182  eth    H 3929  13.485   4.123 -17.260
  182  eth    C 3930  14.248   6.098 -16.828
  182  eth    H 3931  14.784   6.196 -17.779
  182  eth    H 3932  14.957   5.761 -16.064
  182  eth    H 3933  13.874   7.087 -16.539
  183  eth    H 3934  16.663  24.981  -9.565
  183  eth    O 3935  16.819  25.705  -8.938
  183  eth    C 3936  18.033  26.355  -9.328
  183  eth    H 3937  17.944  26.763 -10.347
  183  eth    H 3938  18.873  25.643  -9.333
  183  eth    C 3939  18.307  27.479  -8.342
  183  eth    H 3940  19.222  28.015  -8.618
  183  eth    H 3941  18.430  27.082  -7.328
  183  eth    H 3942  17.477  28.194  -8.334
  184  eth    H 3943  -4.807 -11.425  -3.119
  184  eth    O 3944  -4.006 -10.885  -3.021
  184  eth    C 3945  -2.905 -11.660  -3.507
  184  eth    H 3946  -3.050 -11.917  -4.568
  184  eth    H 3947  -2.818 -12.606  -2.949
  184  eth    C 3948  -1.637 -10.838  -3.340
  184  eth    H 3949  -0.771 -11.392  -3.719
  184  eth    H 3950  -1.464 -10.603  -2.284
  184  eth    H 3951  -1.714  -9.896  -3.895
  185  eth    H 3952   5.735 -15.889  -3.812
  185  eth    O 3953   5.412 -15.022  -4.106
  185  eth    C 3954   6.117 -14.688  -5.306
  185  eth    H 3955   5.926 -15.438  -6.089
  185  eth    H 3956   7.203 -14.670  -5.128
  185  eth    C 3957   5.642 -13.321  -5.770
  185  eth    H 3958   6.147 -13.036  -6.700
  185  eth    H 3959   5.857 -12.559  -5.012
  185  eth    H 3960   4.561 -13.330  -5.953
  186  eth    H 3961 -25.120 -17.160  26.047
  186  eth    O 3962 -24.990 -16.229  26.289
  186  eth    C 3963 -23.597 -15.936  26.129
  186  eth    H 3964 -23.286 -16.093  25.085
  186  eth    H 3965 -22.985 -16.602  26.757
  186  eth    C 3966 -23.368 -14.487  26.527
  186  eth    H 3967 -22.314 -14.219  26.401
  186  eth    H 3968 -23.644 -14.325  27.575
  186  eth    H 3969 -23.972 -13.817  25.904
  187  eth    H 3970 -29.354 -24.156   2.352
  187  eth    O 3971 -28.936 -23.284   2.441
  187  eth    C 3972 -27.522 -23.475   2.334
  187  eth    H 3973 -27.262 -23.911   1.356
  187  eth    H 3974 -27.162 -24.171   3.108
  187  eth    C 3975 -26.847 -22.123   2.494
  187  eth    H 3976 -25.760 -22.224   2.400
  187  eth    H 3977 -27.071 -21.693   3.477
  187  eth    H 3978 -27.196 -21.425   1.725
  188  eth    H 3979  21.746 -13.459  11.992
  188  eth    O 3980  22.505 -12.864  11.877
  188  eth    C 3981  23.664 -13.681  11.685
  188  eth    H 3982  23.550 -14.311  10.789
  188  eth    H 3983  23.813 -14.355  12.542
  188  eth    C 3984  24.868 -12.766  11.526
  188  eth    H 3985  25.776 -13.356  11.358
  188  eth    H 3986  25.012 -12.157  12.425
  188  eth    H 3987  24.730 -12.094  10.672
  189  eth    H 3988   3.086   5.963  -0.647
  189  eth    O 3989   3.670   6.663  -0.979
  189  eth    C 3990   4.356   6.142  -2.122
  189  eth    H 3991   3.638   5.857  -2.908
  189  eth    H 3992   4.926   5.239  -1.857
  189  eth    C 3993   5.295   7.218  -2.643
  189  eth    H 3994   5.827   6.862  -3.533
  189  eth    H 3995   6.035   7.487  -1.881
  189  eth    H 3996   4.734   8.120  -2.913
  190  eth    H 3997  13.012  20.113 -27.166
  190  eth    O 3998  13.116  20.982 -26.746
  190  eth    C 3999  14.188  21.655 -27.414
  190  eth    H 4000  13.957  21.786 -28.483
  190  eth    H 4001  15.117  21.067 -27.350
  190  eth    C 4002  14.382  23.010 -26.754
  190  eth    H 4003  15.186  23.565 -27.251
  190  eth    H 4004  14.645  22.892 -25.697
  190  eth    H 4005  13.463  23.603 -26.816
  191  eth    H 4006 -26.872 -16.606 -13.219
  191  eth    O 4007 -26.585 -15.692 -13.374
  191  eth    C 4008 -25.873 -15.671 -14.615
  191  eth    H 4009 -26.525 -15.998 -15.441
  191  eth    H 4010 -25.014 -16.360 -14.584
  191  eth    C 4011 -25.394 -14.250 -14.864
  191  eth    H 4012 -24.858 -14.190 -15.818
  191  eth    H 4013 -24.718 -13.925 -14.065
  191  eth    H 4014 -26.243 -13.559 -14.900
  192  eth    H 4015  14.550 -25.652  21.744
  192  eth    O 4016  15.358 -25.114  21.729
  192  eth    C 4017  16.470 -26.014  21.739
  192  eth    H 4018  16.447 -26.670  20.854
  192  eth    H 4019  16.440 -26.663  22.628
  192  eth    C 4020  17.748 -25.190  21.740
  192  eth    H 4021  18.625 -25.846  21.729
  192  eth    H 4022  17.799 -24.557  22.633
  192  eth    H 4023  17.788 -24.543  20.856
  193  eth    H 4024 -27.309  13.875   9.137
  193  eth    O 4025 -26.686  14.592   8.937
  193  eth    C 4026 -26.500  14.612   7.517
  193  eth    H 4027 -27.456  14.799   7.004
  193  eth    H 4028 -26.121  13.642   7.160
  193  eth    C 4029 -25.507  15.715   7.185
  193  eth    H 4030 -25.352  15.774   6.102
  193  eth    H 4031 -24.541  15.522   7.664
  193  eth    H 4032 -25.879  16.685   7.534
  194  eth    H 4033 -22.094   7.349  -3.151
  194  eth    O 4034 -21.698   8.227  -3.027
  194  eth    C 4035 -20.339   8.149  -3.471
  194  eth    H 4036 -20.295   7.871  -4.536
  194  eth    H 4037 -19.788   7.379  -2.909
  194  eth    C 4038 -19.693   9.509  -3.262
  194  eth    H 4039 -18.654   9.495  -3.609
  194  eth    H 4040 -19.702   9.783  -2.201
  194  eth    H 4041 -20.233  10.281  -3.822
  195  eth    H 4042   4.479  25.323 -24.970
  195  eth    O 4043   5.105  26.064 -25.006
  195  eth    C 4044   6.422  25.507 -25.076
  195  eth    H 4045   6.533  24.886 -25.979
  195  eth    H 4046   6.618  24.859 -24.208
  195  eth    C 4047   7.420  26.653 -25.109
  195  eth    H 4048   8.443  26.266 -25.181
  195  eth    H 4049   7.342  27.260 -24.200
  195  eth    H 4050   7.234  27.301 -25.973
  196  eth    H 4051  -3.688  20.745 -28.011
  196  eth    O 4052  -3.491  21.431 -27.352
  196  eth    C 4053  -2.384  22.192 -27.845
  196  eth    H 4054  -2.637  22.666 -28.807
  196  eth    H 4055  -1.511  21.544 -28.020
  196  eth    C 4056  -2.044  23.257 -26.816
  196  eth    H 4057  -1.210  23.876 -27.166
  196  eth    H 4058  -1.758  22.797 -25.863
  196  eth    H 4059  -2.907  23.910 -26.638
  197  eth    H 4060   4.083 -28.580  16.069
  197  eth    O 4061   4.052 -27.611  16.030
  197  eth    C 4062   4.948 -27.196  14.994
  197  eth    H 4063   4.638 -27.614  14.024
  197  eth    H 4064   5.969 -27.556  15.194
  197  eth    C 4065   4.932 -25.677  14.933
  197  eth    H 4066   5.595 -25.320  14.137
  197  eth    H 4067   5.271 -25.249  15.884
  197  eth    H 4068   3.920 -25.311  14.731
  198  eth    H 4069   2.075 -24.798  -5.454
  198  eth    O 4070   2.702 -24.058  -5.421
  198  eth    C 4071   3.853 -24.439  -6.181
  198  eth    H 4072   3.577 -24.642  -7.228
  198  eth    H 4073   4.301 -25.360  -5.776
  198  eth    C 4074   4.859 -23.300  -6.122
  198  eth    H 4075   5.750 -23.547  -6.710
  198  eth    H 4076   5.167 -23.110  -5.088
  198  eth    H 4077   4.423 -22.380  -6.527
  199  eth    H 4078 -12.928   9.146  11.353
  199  eth    O 4079 -12.726   9.987  10.914
  199  eth    C 4080 -11.654   9.744   9.996
  199  eth    H 4081 -11.951   8.996   9.244
  199  eth    H 4082 -10.773   9.346  10.522
  199  eth    C 4083 -11.306  11.057   9.314
  199  eth    H 4084 -10.499  10.907   8.588
  199  eth    H 4085 -10.977  11.799  10.050
  199  eth    H 4086 -12.178  11.458   8.785
  200  eth    H 4087  13.771  24.133  13.955
  200  eth    O 4088  14.185  24.995  13.790
  200  eth    C 4089  15.177  24.806  12.775
  200  eth    H 4090  14.716  24.434  11.847
  200  eth    H 4091  15.922  24.060  13.092
  200  eth    C 4092  15.854  26.143  12.518
  200  eth    H 4093  16.610  26.043  11.731
  200  eth    H 4094  16.345  26.508  13.427
  200  eth    H 4095  15.120  26.891  12.198
  201  eth    H 4096   1.783 -11.234 -19.610
  201  eth    O 4097   2.574 -10.677 -19.689
  201  eth    C 4098   3.699 -11.551 -19.837
  201  eth    H 4099   3.592 -12.171 -20.741
  201  eth    H 4100   3.777 -12.235 -18.978
  201  eth    C 4101   4.953 -10.697 -19.938
  201  eth    H 4102   5.836 -11.331 -20.071
  201  eth    H 4103   5.088 -10.099 -19.030
  201  eth    H 4104   4.885 -10.015 -20.793
  202  eth    H 4105  11.265 -12.326  -4.186
  202  eth    O 4106  12.019 -11.741  -4.366
  202  eth    C 4107  13.033 -12.532  -4.995
  202  eth    H 4108  12.661 -12.958  -5.941
  202  eth    H 4109  13.327 -13.374  -4.351
  202  eth    C 4110  14.232 -11.638  -5.265
  202  eth    H 4111  15.026 -12.204  -5.765
  202  eth    H 4112  14.632 -11.234  -4.328
  202  eth    H 4113  13.948 -10.798  -5.910
  203  eth    H 4114  26.769 -23.951 -13.157
  203  eth    O 4115  27.463 -23.284 -13.282
  203  eth    C 4116  28.094 -23.553 -14.539
  203  eth    H 4117  27.365 -23.485 -15.361
  203  eth    H 4118  28.512 -24.572 -14.556
  203  eth    C 4119  29.202 -22.532 -14.742
  203  eth    H 4120  29.698 -22.694 -15.705
  203  eth    H 4121  29.952 -22.612 -13.947
  203  eth    H 4122  28.794 -21.515 -14.730
  204  eth    H 4123   4.568  18.153 -25.615
  204  eth    O 4124   5.213  18.770 -25.997
  204  eth    C 4125   6.264  17.988 -26.573
  204  eth    H 4126   5.870  17.331 -27.364
  204  eth    H 4127   6.732  17.342 -25.814
  204  eth    C 4128   7.298  18.939 -27.157
  204  eth    H 4129   8.113  18.376 -27.625
  204  eth    H 4130   7.722  19.576 -26.373
  204  eth    H 4131   6.842  19.583 -27.917
  205  eth    H 4132 -20.910 -26.849  -2.419
  205  eth    O 4133 -20.120 -26.286  -2.458
  205  eth    C 4134 -18.995 -27.142  -2.683
  205  eth    H 4135 -19.107 -27.687  -3.633
  205  eth    H 4136 -18.910 -27.893  -1.882
  205  eth    C 4137 -17.744 -26.279  -2.724
  205  eth    H 4138 -16.860 -26.898  -2.913
  205  eth    H 4139 -17.604 -25.756  -1.771
  205  eth    H 4140 -17.819 -25.531  -3.521
  206  eth    H 4141  -4.809  12.558 -18.360
  206  eth    O 4142  -4.025  13.128 -18.307
  206  eth    C 4143  -2.899  12.347 -18.719
  206  eth    H 4144  -3.030  11.994 -19.754
  206  eth    H 4145  -2.789  11.455 -18.081
  206  eth    C 4146  -1.656  13.216 -18.619
  206  eth    H 4147  -0.772  12.657 -18.945
  206  eth    H 4148  -1.497  13.546 -17.586
  206  eth    H 4149  -1.756  14.104 -19.253
  207  eth    H 4150  17.854 -10.519  20.234
  207  eth    O 4151  18.352  -9.692  20.330
  207  eth    C 4152  19.247  -9.600  19.217
  207  eth    H 4153  18.687  -9.586  18.269
  207  eth    H 4154  19.921 -10.470  19.186
  207  eth    C 4155  20.054  -8.320  19.362
  207  eth    H 4156  20.742  -8.204  18.517
  207  eth    H 4157  20.642  -8.336  20.287
  207  eth    H 4158  19.391  -7.448  19.390
  208  eth    H 4159  11.648   4.945 -27.160
  208  eth    O 4160  12.280   5.682 -27.157
  208  eth    C 4161  13.378   5.306 -27.996
  208  eth    H 4162  13.033   5.118 -29.025
  208  eth    H 4163  13.846   4.378 -27.633
  208  eth    C 4164  14.391   6.439 -27.986
  208  eth    H 4165  15.241   6.196 -28.634
  208  eth    H 4166  14.767   6.614 -26.972
  208  eth    H 4167  13.935   7.366 -28.350
  209  eth    H 4168  26.401   5.234 -14.510
  209  eth    O 4169  27.072   5.824 -14.130
  209  eth    C 4170  27.897   6.283 -15.206
  209  eth    H 4171  27.296   6.835 -15.946
  209  eth    H 4172  28.362   5.434 -15.730
  209  eth    C 4173  28.970   7.190 -14.627
  209  eth    H 4174  29.613   7.578 -15.425
  209  eth    H 4175  29.595   6.643 -13.913
  209  eth    H 4176  28.515   8.041 -14.106
  210  eth    H 4177 -14.689  20.026  28.102
  210  eth    O 4178 -14.035  20.739  28.030
  210  eth    C 4179 -12.756  20.128  27.828
  210  eth    H 4180 -12.754  19.530  26.903
  210  eth    H 4181 -12.514  19.446  28.658
  210  eth    C 4182 -11.713  21.229  27.736
  210  eth    H 4183 -10.719  20.800  27.563
  210  eth    H 4184 -11.682  21.811  28.665
  210  eth    H 4185 -11.944  21.911  26.910
  211  eth    H 4186  21.301 -11.594  23.198
  211  eth    O 4187  21.840 -10.797  23.324
  211  eth    C 4188  23.209 -11.172  23.142
  211  eth    H 4189  23.371 -11.569  22.128
  211  eth    H 4190  23.495 -11.963  23.853
  211  eth    C 4191  24.072  -9.939  23.360
  211  eth    H 4192  25.130 -10.182  23.211
  211  eth    H 4193  23.945  -9.553  24.378
  211  eth    H 4194  23.797  -9.148  22.654
  212  eth    H 4195  20.010  25.266   9.394
  212  eth    O 4196  20.383  25.897   8.757
  212  eth    C 4197  21.096  25.140   7.773
  212  eth    H 4198  20.418  24.446   7.252
  212  eth    H 4199  21.886  24.535   8.244
  212  eth    C 4200  21.707  26.113   6.778
  212  eth    H 4201  22.248  25.569   5.995
  212  eth    H 4202  22.410  26.789   7.279
  212  eth    H 4203  20.927  26.718   6.302
  213  eth    H 4204   8.608 -26.448 -27.092
  213  eth    O 4205   8.648 -25.514 -26.833
  213  eth    C 4206   9.702 -24.907 -27.588
  213  eth    H 4207   9.499 -24.982 -28.667
  213  eth    H 4208  10.661 -25.415 -27.399
  213  eth    C 4209   9.798 -23.446 -27.178
  213  eth    H 4210  10.585 -22.940 -27.749
  213  eth    H 4211  10.033 -23.358 -26.111
  213  eth    H 4212   8.849 -22.931 -27.366
  214  eth    H 4213  -8.666  24.881  18.369
  214  eth    O 4214  -8.403  25.801  18.205
  214  eth    C 4215  -7.074  25.777  17.675
  214  eth    H 4216  -7.043  25.211  16.731
  214  eth    H 4217  -6.383  25.283  18.376
  214  eth    C 4218  -6.634  27.212  17.434
  214  eth    H 4219  -5.624  27.235  17.009
  214  eth    H 4220  -6.629  27.778  18.372
  214  eth    H 4221  -7.314  27.710  16.734
  215  eth    H 4222 -19.209  11.664  10.822
  215  eth    O 4223 -18.485  12.298  10.700
  215  eth    C 4224 -17.281  11.543  10.529
  215  eth    H 4225 -17.354  10.892   9.643
  215  eth    H 4226 -17.100  10.893  11.399
  215  eth    C 4227 -16.128  12.520  10.361
  215  eth    H 4228 -15.188  11.979  10.208
  215  eth    H 4229 -16.024  13.152  11.250
  215  eth    H 4230 -16.298  13.170   9.494
  216  eth    H 4231 -12.699 -29.171  28.167
  216  eth    O 4232 -12.282 -28.309  28.010
  216  eth    C 4233 -11.008 -28.554  27.405
  216  eth    H 4234 -11.128 -29.086  26.449
  216  eth    H 4235 -10.383 -29.187  28.055
  216  eth    C 4236 -10.328 -27.215  27.172
  216  eth    H 4237  -9.353 -27.360  26.693
  216  eth    H 4238 -10.172 -26.690  28.122
  216  eth    H 4239 -10.941 -26.579  26.523
  217  eth    H 4240  11.330 -21.985 -12.883
  217  eth    O 4241  12.053 -21.338 -12.904
  217  eth    C 4242  13.230 -22.027 -13.338
  217  eth    H 4243  13.083 -22.450 -14.345
  217  eth    H 4244  13.464 -22.865 -12.663
  217  eth    C 4245  14.382 -21.035 -13.355
  217  eth    H 4246  15.300 -21.522 -13.701
  217  eth    H 4247  14.559 -20.632 -12.352
  217  eth    H 4248  14.159 -20.199 -14.028
  218  eth    H 4249 -20.252  10.719 -13.594
  218  eth    O 4250 -19.535  11.371 -13.547
  218  eth    C 4251 -18.914  11.419 -14.835
  218  eth    H 4252 -19.641  11.725 -15.604
  218  eth    H 4253 -18.533  10.426 -15.122
  218  eth    C 4254 -17.771  12.419 -14.775
  218  eth    H 4255 -17.280  12.498 -15.751
  218  eth    H 4256 -17.024  12.108 -14.036
  218  eth    H 4257 -18.142  13.411 -14.493
  219  eth    H 4258 -10.502   0.639  24.137
  219  eth    O 4259 -10.102   1.523  24.126
  219  eth    C 4260  -8.811   1.402  23.520
  219  eth    H 4261  -8.900   1.024  22.490
  219  eth    H 4262  -8.184   0.688  24.078
  219  eth    C 4263  -8.159   2.775  23.515
  219  eth    H 4264  -7.172   2.727  23.041
  219  eth    H 4265  -8.034   3.148  24.538
  219  eth    H 4266  -8.774   3.491  22.959
  220  eth    H 4267  -7.244   9.809  -7.799
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  677  wat    O 5687   7.129  14.055 -14.417
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  678  wat    O 5690  27.250 -12.290  -7.307
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  680  wat    H 5695  26.150 -21.282 -21.836
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  680  wat    H 5697  24.639 -21.388 -21.727
  681  wat    H 5698  -9.448 -13.276 -24.423
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  681  wat    H 5700 -10.919 -13.542 -24.156
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  682  wat    O 5702 -15.967   0.009 -23.407
  682  wat    H 5703 -16.572   0.328 -22.719
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  683  wat    O 5705   6.601  19.887  12.690
  683  wat    H 5706   5.637  19.914  12.797
  684  wat    H 5707  13.236  -6.402 -20.977
  684  wat    O 5708  12.727  -7.211 -20.809
  684  wat    H 5709  12.265  -7.010 -19.980
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  685  wat    O 5711  -9.550 -11.530  27.062
  685  wat    H 5712 -10.134 -11.210  27.768
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  687  wat    O 5717  -9.142  27.097  -8.445
  687  wat    H 5718  -9.994  27.506  -8.225
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  688  wat    O 5720  25.576 -18.357  11.772
  688  wat    H 5721  24.750 -18.368  12.280
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  689  wat    O 5723  23.357 -24.127  14.555
  689  wat    H 5724  22.658 -24.796  14.624
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  690  wat    O 5726 -17.411   5.128  10.559
  690  wat    H 5727 -17.932   5.198  11.374
  691  wat    H 5728  27.907   7.305   7.534
  691  wat    O 5729  27.245   6.596   7.535
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  692  wat    H 5731  -4.826 -26.583  25.111
  692  wat    O 5732  -5.445 -27.329  25.094
  692  wat    H 5733  -6.276 -26.931  25.397
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  693  wat    H 5736  17.185  15.559 -10.298
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  694  wat    O 5738  -6.250  -1.142 -20.965
  694  wat    H 5739  -6.889  -1.396 -20.280
  695  wat    H 5740  23.761  -9.045  26.617
  695  wat    O 5741  23.611  -9.692  27.325
  695  wat    H 5742  23.415  -9.133  28.093
  696  wat    H 5743  21.206  -3.815  -9.204
  696  wat    O 5744  21.218  -4.777  -9.080
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  697  wat    H 5748   4.706  18.067   4.942
  698  wat    H 5749  -4.121 -26.537  14.289
  698  wat    O 5750  -4.857 -27.168  14.320
  698  wat    H 5751  -5.633 -26.593  14.419
  699  wat    H 5752  10.753  17.471  27.011
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  699  wat    H 5754   9.236  17.459  27.078
  700  wat    H 5755 -14.421  21.117  10.939
  700  wat    O 5756 -14.836  20.243  10.880
  700  wat    H 5757 -15.766  20.428  11.087
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  701  wat    O 5759 -24.711  -4.019 -11.371
  701  wat    H 5760 -25.348  -3.586 -10.781
  702  wat    H 5761 -27.287 -17.030 -16.945
  702  wat    O 5762 -27.985 -17.697 -16.846
  702  wat    H 5763 -28.779 -17.160 -16.690
  703  wat    H 5764 -21.435  28.816 -14.552
  703  wat    O 5765 -21.529  27.850 -14.579
  703  wat    H 5766 -22.491  27.724 -14.567
  704  wat    H 5767  -8.275  27.593 -22.633
  704  wat    O 5768  -8.432  26.638 -22.560
  704  wat    H 5769  -9.063  26.576 -21.825
  705  wat    H 5770 -14.383  -1.418  -3.049
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  705  wat    H 5772 -15.897  -1.488  -2.954
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  706  wat    O 5774 -17.004  18.007   7.425
  706  wat    H 5775 -17.802  18.329   7.872
  707  wat    H 5776 -14.373  -9.251 -18.217
  707  wat    O 5777 -14.942 -10.035 -18.271
  707  wat    H 5778 -15.769  -9.732 -17.863
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  709  wat    H 5784  13.410 -24.046  -0.167
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  710  wat    H 5787 -16.176  14.098  20.105
  711  wat    H 5788   8.080  -2.387  19.332
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  711  wat    H 5790   7.116  -3.129  20.241
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  712  wat    O 5792  15.552  17.276   1.127
  712  wat    H 5793  14.672  17.492   1.475
  713  wat    H 5794   6.566 -10.857  -2.378
  713  wat    O 5795   6.267 -11.778  -2.450
  713  wat    H 5796   5.310 -11.708  -2.303
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  714  wat    O 5798   8.472 -19.869  11.388
  714  wat    H 5799   7.718 -19.337  11.689
  715  wat    H 5800   2.994  24.420  -3.570
  715  wat    O 5801   2.454  23.625  -3.435
  715  wat    H 5802   1.609  23.986  -3.122
  716  wat    H 5803 -25.603 -22.813   7.234
  716  wat    O 5804 -26.262 -23.525   7.243
  716  wat    H 5805 -27.061 -23.078   7.565
  717  wat    H 5806 -20.753   3.218  27.558
  717  wat    O 5807 -21.187   2.370  27.746
  717  wat    H 5808 -22.035   2.641  28.130
  718  wat    H 5809  27.207   2.423  23.645
  718  wat    O 5810  26.549   1.736  23.834
  718  wat    H 5811  25.756   2.249  24.059
  719  wat    H 5812 -12.305  11.905  -6.738
  719  wat    O 5813 -13.087  11.376  -6.959
  719  wat    H 5814 -13.787  11.789  -6.429
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  720  wat    O 5816   1.843  28.076  23.441
  720  wat    H 5817   1.023  28.275  23.919
  721  wat    H 5818 -28.045 -22.486  11.146
  721  wat    O 5819 -27.857 -23.228  10.549
  721  wat    H 5820 -28.521 -23.887  10.806
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  722  wat    O 5822  10.876 -15.951 -19.308
  722  wat    H 5823  10.234 -15.656 -18.642
  723  wat    H 5824  16.783  22.324   6.115
  723  wat    O 5825  16.351  21.455   6.108
  723  wat    H 5826  15.419  21.674   6.266
  724  wat    H 5827 -26.454  22.155  26.614
  724  wat    O 5828 -26.441  21.185  26.653
  724  wat    H 5829 -27.351  20.965  26.907
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  725  wat    H 5832  18.413   4.709 -13.524
  726  wat    H 5833 -13.781   5.330  17.967
  726  wat    O 5834 -14.094   4.478  17.625
  726  wat    H 5835 -14.971   4.389  18.031
  727  wat    H 5836  12.691   3.728 -11.103
  727  wat    O 5837  12.012   3.036 -11.082
  727  wat    H 5838  11.244   3.495 -10.706
   5.66453   5.66453   5.66453