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ground_truth_water.pdb
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CRYST1 45.900 40.700 30.100 90.00 90.00 90.00 P 21 21 21
ATOM 1897 O AHOH S 1 6.003 4.057 -0.363 0.50 4.89 O
ATOM 1898 O BHOH S 1 5.706 3.826 -0.598 0.50 5.75 O
ATOM 1899 O AHOH S 2 9.297 1.441 -6.047 0.50 6.78 O
ATOM 1900 O BHOH S 2 9.438 1.582 -6.293 0.50 6.41 O
ATOM 1901 O AHOH S 3 12.696 2.959 0.294 0.50 6.84 O
ATOM 1902 O BHOH S 3 12.691 3.403 0.120 0.50 7.62 O
ATOM 1903 O AHOH S 4 15.563 4.290 2.044 0.50 9.36 O
ATOM 1904 O BHOH S 4 15.308 4.497 1.822 0.50 11.09 O
ATOM 1905 O AHOH S 5 -10.017 5.407 -1.446 0.45 9.63 O
ATOM 1906 O BHOH S 5 -10.178 4.920 -1.387 0.45 9.26 O
ATOM 1907 O AHOH S 6 -6.139 9.878 -3.206 0.49 8.37 O
ATOM 1908 O BHOH S 6 -5.964 10.350 -2.674 0.49 9.31 O
ATOM 1909 O AHOH S 7 5.501 1.942 -7.741 0.50 11.38 O
ATOM 1910 O BHOH S 7 5.174 1.839 -7.040 0.50 7.19 O
ATOM 1911 O AHOH S 8 11.418 7.244 -5.055 0.48 7.21 O
ATOM 1912 O BHOH S 8 12.376 6.335 -5.068 0.48 15.75 O
ATOM 1913 O AHOH S 9 11.666 10.837 -6.747 0.41 8.05 O
ATOM 1914 O BHOH S 9 11.937 10.341 -6.667 0.41 10.00 O
ATOM 1915 O AHOH S 10 14.973 5.951 -0.556 0.47 15.90 O
ATOM 1916 O BHOH S 10 15.490 5.890 -0.201 0.47 9.98 O
ATOM 1917 O AHOH S 11 9.682 5.068 -3.572 0.47 7.62 O
ATOM 1918 O BHOH S 11 10.057 5.749 -3.511 0.47 15.86 O
ATOM 1919 O AHOH S 12 -4.087 11.456 -9.398 0.50 10.42 O
ATOM 1920 O BHOH S 12 -3.878 10.989 -9.941 0.50 13.08 O
ATOM 1921 O AHOH S 13 5.878 5.538 7.438 0.46 9.31 O
ATOM 1922 O BHOH S 13 6.096 4.881 7.283 0.46 8.45 O
ATOM 1923 O AHOH S 14 12.416 2.754 -3.685 0.50 8.77 O
ATOM 1924 O BHOH S 14 12.073 1.718 -3.996 0.50 26.22 O
ATOM 1925 O AHOH S 15 0.222 -2.472 -3.378 0.50 10.64 O
ATOM 1926 O BHOH S 15 -0.558 -2.668 -3.428 0.50 14.77 O
ATOM 1927 O AHOH S 16 13.565 5.152 -2.408 0.47 9.93 O
ATOM 1928 O BHOH S 16 13.671 5.402 -3.069 0.47 15.05 O
ATOM 1929 O AHOH S 17 2.526 6.697 -10.726 0.50 18.44 O
ATOM 1930 O BHOH S 17 2.161 7.170 -10.555 0.50 13.62 O
ATOM 1931 O AHOH S 18 10.813 14.082 -7.275 0.40 9.07 O
ATOM 1932 O BHOH S 18 10.609 14.483 -6.702 0.40 8.91 O
ATOM 1933 O AHOH S 19 6.573 3.133 9.196 0.50 8.86 O
ATOM 1934 O BHOH S 19 6.847 1.906 10.162 0.50 17.04 O
ATOM 1935 O AHOH S 20 -6.271 10.219 0.989 0.49 11.59 O
ATOM 1936 O BHOH S 20 -6.945 10.418 1.403 0.49 10.65 O
ATOM 1937 O AHOH S 21 -4.545 5.280 11.100 0.49 13.19 O
ATOM 1938 O BHOH S 21 -3.914 5.340 11.566 0.49 20.52 O
ATOM 1939 O AHOH S 22 17.086 7.642 -1.348 0.50 21.61 O
ATOM 1940 O BHOH S 22 16.790 7.595 -2.132 0.50 12.09 O
ATOM 1941 O AHOH S 23 -5.520 -4.002 11.664 0.46 13.88 O
ATOM 1942 O BHOH S 23 -5.551 -3.223 11.956 0.46 12.48 O
ATOM 1943 O AHOH S 24 -0.382 9.980 9.368 0.47 13.61 O
ATOM 1944 O BHOH S 24 -0.949 10.391 8.821 0.47 11.33 O
ATOM 1945 O AHOH S 25 21.099 1.327 5.082 0.50 13.49 O
ATOM 1946 O BHOH S 25 20.945 1.665 5.746 0.50 20.08 O
ATOM 1947 O AHOH S 26 5.428 -5.706 2.418 0.41 15.63 O
ATOM 1948 O BHOH S 26 5.930 -5.737 2.770 0.41 15.33 O
ATOM 1949 O AHOH S 27 13.421 -3.932 -3.827 0.34 9.10 O
ATOM 1950 O BHOH S 27 12.971 -4.521 -3.955 0.34 14.31 O
ATOM 1951 O AHOH S 28 -1.983 13.082 -9.019 0.42 15.02 O
ATOM 1952 O BHOH S 28 -1.149 13.453 -8.653 0.42 11.02 O
ATOM 1953 O AHOH S 29 3.551 -2.811 2.448 0.28 7.67 O
ATOM 1954 O BHOH S 29 3.441 -2.124 2.609 0.28 10.88 O
ATOM 1955 O AHOH S 30 -2.864 -6.240 3.396 0.50 16.20 O
ATOM 1956 O BHOH S 30 -3.691 -6.317 3.764 0.50 14.64 O
ATOM 1957 O AHOH S 31 13.296 4.986 10.014 0.50 15.01 O
ATOM 1958 O BHOH S 31 13.670 5.591 10.435 0.50 20.09 O
ATOM 1959 O AHOH S 32 17.687 6.243 6.008 0.50 12.21 O
ATOM 1960 O BHOH S 32 16.823 5.736 4.019 0.50 18.23 O
ATOM 1961 O AHOH S 33 19.210 0.693 -2.406 0.50 10.77 O
ATOM 1962 O BHOH S 33 18.492 -0.207 -2.852 0.50 13.81 O
ATOM 1963 O AHOH S 34 -7.077 -2.093 13.572 0.43 16.57 O
ATOM 1964 O BHOH S 34 -6.558 -1.898 14.158 0.43 23.14 O
ATOM 1965 O AHOH S 35 -0.639 5.918 12.406 0.50 16.36 O
ATOM 1966 O BHOH S 35 0.130 5.429 12.370 0.50 17.17 O
ATOM 1967 O AHOH S 36 10.429 -2.123 7.604 0.50 13.36 O
ATOM 1968 O BHOH S 36 7.083 -7.472 4.590 0.50 12.60 O
ATOM 1969 O AHOH S 37 -6.580 9.714 -5.826 0.47 12.84 O
ATOM 1970 O BHOH S 37 -6.251 10.813 -5.643 0.47 21.52 O
ATOM 1971 O AHOH S 38 20.414 2.392 -2.696 0.41 11.01 O
ATOM 1972 O BHOH S 38 21.140 2.152 -1.945 0.41 19.57 O
ATOM 1973 O AHOH S 39 15.973 -4.107 -3.317 0.50 14.97 O
ATOM 1974 O BHOH S 39 16.764 -3.816 -2.603 0.50 29.61 O
ATOM 1975 O AHOH S 40 3.233 15.438 -3.473 0.50 17.10 O
ATOM 1976 O BHOH S 40 3.332 15.774 -2.422 0.50 14.17 O
ATOM 1977 O AHOH S 41 16.261 -1.814 4.744 0.39 13.61 O
ATOM 1978 O BHOH S 41 16.577 -1.124 4.166 0.39 12.66 O
ATOM 1979 O AHOH S 42 -7.558 9.948 5.753 0.50 19.01 O
ATOM 1980 O BHOH S 42 -7.705 10.183 4.968 0.50 19.00 O
ATOM 1981 O AHOH S 43 16.535 -3.721 0.980 0.50 19.54 O
ATOM 1982 O BHOH S 43 16.763 -3.939 1.965 0.50 15.66 O
ATOM 1983 O AHOH S 44 3.477 -6.394 4.829 0.40 18.24 O
ATOM 1984 O BHOH S 44 3.435 -5.764 4.058 0.40 11.39 O
ATOM 1985 O AHOH S 45 22.334 4.204 4.310 0.42 20.48 O
ATOM 1986 O BHOH S 45 22.057 4.073 5.301 0.42 13.70 O
ATOM 1987 O AHOH S 46 -5.756 7.883 9.279 0.35 10.81 O
ATOM 1988 O BHOH S 46 -5.430 8.824 9.597 0.35 17.16 O
ATOM 1989 O AHOH S 47 -2.091 0.391 -9.787 0.50 14.83 O
ATOM 1990 O BHOH S 47 -2.847 -0.156 -9.011 0.50 33.29 O
ATOM 1991 O AHOH S 48 5.306 -8.064 6.561 0.50 14.27 O
ATOM 1992 O BHOH S 48 4.044 -7.592 6.381 0.50 19.22 O
ATOM 1993 O AHOH S 49 0.897 14.960 -3.509 0.50 13.66 O
ATOM 1994 O BHOH S 49 1.122 14.799 -4.841 0.50 21.59 O
ATOM 1995 O AHOH S 50 1.026 14.277 -5.848 0.39 20.23 O
ATOM 1996 O BHOH S 50 1.041 13.962 -7.000 0.39 11.91 O
ATOM 1997 O AHOH S 51 10.572 17.028 -7.324 0.38 15.01 O
ATOM 1998 O BHOH S 51 10.278 17.082 -6.361 0.38 15.33 O
ATOM 1999 O AHOH S 52 3.645 9.474 9.288 0.49 19.01 O
ATOM 2000 O BHOH S 52 3.055 8.502 9.470 0.49 28.26 O
ATOM 2001 O AHOH S 53 7.369 17.742 -1.079 0.37 16.87 O
ATOM 2002 O BHOH S 53 6.602 17.779 -1.720 0.37 15.85 O
ATOM 2003 O AHOH S 54 -7.674 5.264 -7.049 0.41 17.72 O
ATOM 2004 O BHOH S 54 -7.334 5.795 -7.686 0.41 16.71 O
ATOM 2005 O AHOH S 55 -6.290 11.911 -7.374 0.34 14.57 O
ATOM 2006 O BHOH S 55 -5.956 12.452 -8.218 0.34 20.85 O
ATOM 2007 O AHOH S 56 -6.114 1.830 15.363 0.37 15.05 O
ATOM 2008 O BHOH S 56 -5.175 1.751 15.789 0.37 18.27 O
ATOM 2009 O AHOH S 57 8.273 11.902 5.506 0.41 16.79 O
ATOM 2010 O BHOH S 57 6.899 12.472 5.543 0.41 14.98 O
ATOM 2011 O AHOH S 58 -8.769 0.611 6.876 0.50 20.17 O
ATOM 2012 O BHOH S 58 -7.639 -1.051 7.389 0.50 20.02 O
ATOM 2013 O AHOH S 59 -0.270 -0.259 14.331 0.32 12.96 O
ATOM 2014 O BHOH S 59 -0.973 0.357 14.771 0.32 13.71 O
ATOM 2015 O AHOH S 60 8.483 5.606 8.061 0.50 25.95 O
ATOM 2016 O BHOH S 60 8.773 6.628 7.449 0.50 18.08 O
ATOM 2017 O AHOH S 61 14.631 4.597 6.561 0.33 14.37 O
ATOM 2018 O BHOH S 61 15.560 4.896 5.932 0.33 13.29 O
ATOM 2019 O AHOH S 62 17.509 4.734 7.848 0.50 18.65 O
ATOM 2020 O BHOH S 62 18.511 4.207 8.119 0.50 20.93 O
ATOM 2021 O AHOH S 63 1.856 -3.681 -7.106 0.27 11.52 O
ATOM 2022 O BHOH S 63 1.107 -3.352 -7.529 0.27 16.11 O
ATOM 2023 O AHOH S 64 18.063 7.448 2.418 0.50 21.18 O
ATOM 2024 O BHOH S 64 17.362 7.782 1.647 0.50 27.40 O
ATOM 2025 O AHOH S 65 6.744 -6.221 -4.184 0.45 25.35 O
ATOM 2026 O BHOH S 65 6.720 -5.765 -4.929 0.45 17.84 O
ATOM 2027 O AHOH S 66 1.579 16.575 -1.621 0.50 25.33 O
ATOM 2028 O BHOH S 66 -0.058 16.281 -1.107 0.50 19.90 O
ATOM 2029 O AHOH S 67 -11.183 2.430 0.733 0.32 18.90 O
ATOM 2030 O BHOH S 67 -11.716 2.662 -0.309 0.32 16.81 O
ATOM 2031 O AHOH S 69 -9.175 -3.745 -2.401 0.50 21.35 O
ATOM 2032 O BHOH S 69 -8.563 -4.581 -1.612 0.50 25.12 O
ATOM 2033 O AHOH S 70 -4.771 9.685 9.799 0.24 10.01 O
ATOM 2034 O BHOH S 70 -4.192 10.488 9.943 0.24 9.21 O
ATOM 2035 O AHOH S 71 -4.455 -1.434 16.667 0.30 14.14 O
ATOM 2036 O BHOH S 71 -3.356 -0.774 16.638 0.30 20.54 O
ATOM 2037 O AHOH S 72 12.863 5.489 7.809 0.34 18.03 O
ATOM 2038 O BHOH S 72 13.700 5.285 7.092 0.34 15.70 O
ATOM 2039 O AHOH S 74 4.278 4.743 9.893 0.30 26.04 O
ATOM 2040 O BHOH S 74 3.789 3.648 9.882 0.30 14.75 O
ATOM 2041 O AHOH S 75 -11.171 1.685 4.781 0.35 20.05 O
ATOM 2042 O BHOH S 75 -10.647 2.053 5.658 0.35 14.41 O
ATOM 2043 O AHOH S 76 -5.125 -5.750 10.936 0.23 14.35 O
ATOM 2044 O BHOH S 76 -4.267 -6.423 10.891 0.23 12.46 O
ATOM 2045 O AHOH S 77 11.668 15.494 3.569 0.50 31.32 O
ATOM 2046 O BHOH S 77 12.063 16.822 3.470 0.50 20.80 O
ATOM 2047 O AHOH S 78 5.167 3.518 -10.275 0.50 24.30 O
ATOM 2048 O BHOH S 78 4.293 4.258 -10.444 0.50 21.17 O
ATOM 2049 O AHOH S 79 -9.861 -2.369 0.293 0.50 24.72 O
ATOM 2050 O BHOH S 79 -9.861 -0.815 1.474 0.50 21.74 O