# Replica Exchange log file # numexchg is 50 # REMD filenames: # remlog= rem.log # remtype= rem.type # Rep#, Neibr#, Temp0, PotE(x_1), PotE(x_2), left_fe, right_fe, Success, Success rate (i,i+1) # exchange 1 1 16 298.15 -8432.39 -8301.48 -213.07 0.00 F 0.00 2 3 298.15 -8445.91 -8516.95 0.00 -12.94 F 0.00 3 2 298.15 -8506.88 -8432.97 10.07 0.00 F 0.00 4 5 298.15 -8459.49 -8415.58 0.00 -9.87 F 0.00 5 4 298.15 -8407.05 -8449.62 8.53 0.00 F 0.00 6 7 298.15 -8405.88 -8379.90 0.00 -8.35 T 2.00 7 6 298.15 -8372.67 -8397.54 7.23 0.00 T 0.00 8 9 298.15 -8385.62 -8390.72 0.00 -4.82 F 0.00 9 8 298.15 -8388.91 -8380.80 1.80 0.00 F 0.00 10 11 298.15 -8399.84 -8424.51 0.00 -2.92 F 0.00 11 10 298.15 -8424.18 -8396.91 0.34 0.00 F 0.00 12 13 298.15 -8426.39 -8338.23 0.00 -0.57 F 0.00 13 12 298.15 -8340.43 -8425.82 -2.20 0.00 F 0.00 14 15 298.15 -8382.06 -8417.42 0.00 -0.15 F 0.00 15 14 298.15 -8420.43 -8381.91 -3.00 0.00 F 0.00 16 1 298.15 -8375.57 -8219.32 0.00 -74.09 F 0.00 # exchange 2 1 2 298.15 -8436.12 -8554.33 0.00 -14.34 F 0.00 2 1 298.15 -8542.37 -8421.78 11.96 0.00 F 0.00 3 4 298.15 -8457.66 -8495.92 0.00 -10.40 T 1.00 4 3 298.15 -8485.35 -8447.26 10.57 0.00 T 0.00 5 6 298.15 -8396.58 -8333.96 0.00 -7.46 T 1.00 6 5 298.15 -8326.57 -8389.13 7.40 0.00 T 1.00 7 8 298.15 -8356.00 -8382.53 0.00 -5.61 F 0.00 8 7 298.15 -8377.92 -8350.40 4.62 0.00 F 0.00 9 10 298.15 -8434.20 -8364.91 0.00 -2.51 F 0.00 10 9 298.15 -8363.81 -8431.69 1.10 0.00 F 0.00 11 12 298.15 -8346.38 -8397.11 0.00 -1.98 F 0.00 12 11 298.15 -8397.65 -8344.40 -0.54 0.00 F 0.00 13 14 298.15 -8357.87 -8413.38 0.00 -0.28 F 0.00 14 13 298.15 -8414.03 -8357.59 -0.64 0.00 F 0.00 15 16 298.15 -8399.24 -8354.76 0.00 2.77 F 0.00 16 15 298.15 -8359.42 -8402.01 -4.67 0.00 F 0.00 # exchange 3 1 16 298.15 -8483.95 -8400.40 -213.48 0.00 F 0.00 2 3 298.15 -8506.93 -8410.55 0.00 -12.24 T 0.67 3 2 298.15 -8399.25 -8495.00 10.96 0.00 T 0.67 4 5 298.15 -8354.91 -8447.64 0.00 -9.79 T 0.67 5 4 298.15 -8437.18 -8345.19 10.07 0.00 T 0.67 6 7 298.15 -8405.05 -8415.77 0.00 -8.36 F 0.67 7 6 298.15 -8409.51 -8396.67 6.92 0.00 F 0.00 8 9 298.15 -8403.53 -8366.80 0.00 -4.30 T 0.67 9 8 298.15 -8362.84 -8399.50 3.56 0.00 T 0.00 10 11 298.15 -8311.09 -8395.59 0.00 -2.99 F 0.00 11 10 298.15 -8394.32 -8308.02 0.97 0.00 F 0.00 12 13 298.15 -8397.79 -8367.65 0.00 -0.57 F 0.00 13 12 298.15 -8368.69 -8397.23 -1.37 0.00 F 0.00 14 15 298.15 -8429.54 -8340.80 0.00 0.99 T 0.67 15 14 298.15 -8343.69 -8430.89 -2.95 0.00 T 0.00 16 1 298.15 -8479.95 -8264.84 0.00 -74.50 F 0.00 # exchange 4 1 2 298.15 -8453.85 -8455.27 0.00 -13.05 F 0.00 2 1 298.15 -8444.11 -8441.18 11.69 0.00 F 0.50 3 4 298.15 -8504.28 -8481.93 0.00 -10.79 F 0.50 4 3 298.15 -8473.51 -8491.92 10.18 0.00 F 0.50 5 6 298.15 -8483.38 -8405.63 0.00 -7.85 T 1.00 6 5 298.15 -8397.54 -8473.95 7.84 0.00 T 0.50 7 8 298.15 -8408.98 -8331.41 0.00 -4.98 T 0.50 8 7 298.15 -8325.99 -8404.29 5.15 0.00 T 0.50 9 10 298.15 -8404.73 -8384.32 0.00 -2.91 F 0.00 10 9 298.15 -8383.45 -8400.11 0.99 0.00 F 0.00 11 12 298.15 -8403.57 -8430.65 0.00 -1.69 F 0.00 12 11 298.15 -8430.30 -8402.08 0.06 0.00 F 0.00 13 14 298.15 -8424.96 -8412.84 0.00 0.06 F 0.00 14 13 298.15 -8416.07 -8425.23 -1.05 0.00 F 0.50 15 16 298.15 -8366.30 -8356.02 0.00 2.64 F 0.00 16 15 298.15 -8360.63 -8368.77 -4.64 0.00 F 0.00 # exchange 5 1 16 298.15 -8447.70 -8332.64 -208.10 0.00 F 0.00 2 3 298.15 -8475.78 -8442.43 0.00 -12.41 F 0.40 3 2 298.15 -8431.32 -8462.67 11.01 0.00 F 0.40 4 5 298.15 -8399.20 -8500.86 0.00 -9.47 F 0.40 5 4 298.15 -8493.40 -8390.10 9.83 0.00 F 0.80 6 7 298.15 -8402.32 -8437.24 0.00 -8.13 F 0.40 7 6 298.15 -8429.87 -8394.48 7.11 0.00 F 0.40 8 9 298.15 -8407.57 -8403.95 0.00 -4.52 F 0.40 9 8 298.15 -8400.51 -8401.64 3.52 0.00 F 0.00 10 11 298.15 -8396.66 -8380.25 0.00 -3.16 F 0.00 11 10 298.15 -8378.68 -8392.83 1.25 0.00 F 0.00 12 13 298.15 -8388.96 -8395.43 0.00 -0.24 F 0.00 13 12 298.15 -8397.11 -8389.08 -1.46 0.00 F 0.00 14 15 298.15 -8365.85 -8337.99 0.00 2.64 T 0.80 15 14 298.15 -8341.80 -8369.11 -3.12 0.00 T 0.00 16 1 298.15 -8390.02 -8240.25 0.00 -58.03 F 0.00 # exchange 6 1 2 298.15 -8460.68 -8393.18 0.00 -13.27 F 0.00 2 1 298.15 -8380.87 -8446.01 11.97 0.00 F 0.33 3 4 298.15 -8500.10 -8397.81 0.00 -10.99 F 0.33 4 3 298.15 -8387.00 -8488.08 10.47 0.00 F 0.33 5 6 298.15 -8454.19 -8391.04 0.00 -8.05 F 0.67 6 5 298.15 -8383.32 -8445.06 7.80 0.00 F 0.33 7 8 298.15 -8372.84 -8412.48 0.00 -5.22 F 0.33 8 7 298.15 -8409.23 -8365.58 4.92 0.00 F 0.33 9 10 298.15 -8425.26 -8332.94 0.00 -3.06 F 0.00 10 9 298.15 -8331.16 -8421.69 1.38 0.00 F 0.00 11 12 298.15 -8398.06 -8371.98 0.00 -1.63 F 0.00 12 11 298.15 -8371.31 -8396.53 0.34 0.00 F 0.00 13 14 298.15 -8356.55 -8392.36 0.00 1.72 T 0.33 14 13 298.15 -8394.36 -8358.90 -1.23 0.00 T 0.67 15 16 298.15 -8414.55 -8476.93 0.00 4.11 T 0.33 16 15 298.15 -8481.05 -8419.28 -4.41 0.00 T 0.00 # exchange 7 1 16 298.15 -8523.82 -8252.27 -208.27 0.00 F 0.00 2 3 298.15 -8462.39 -8496.21 0.00 -12.30 F 0.29 3 2 298.15 -8485.35 -8450.35 10.98 0.00 F 0.29 4 5 298.15 -8425.11 -8448.62 0.00 -8.51 T 0.57 5 4 298.15 -8438.97 -8417.32 9.79 0.00 T 0.57 6 7 298.15 -8376.67 -8502.60 0.00 -7.58 T 0.57 7 6 298.15 -8495.17 -8369.70 7.21 0.00 T 0.29 8 9 298.15 -8354.41 -8411.07 0.00 -4.66 F 0.29 9 8 298.15 -8405.96 -8348.76 4.40 0.00 F 0.00 10 11 298.15 -8324.02 -8340.42 0.00 -2.44 F 0.00 11 10 298.15 -8339.02 -8322.25 1.29 0.00 F 0.00 12 13 298.15 -8438.57 -8394.68 0.00 -0.19 F 0.00 13 12 298.15 -8397.13 -8438.53 -1.59 0.00 F 0.29 14 15 298.15 -8379.27 -8371.79 0.00 2.48 F 0.57 15 14 298.15 -8376.26 -8380.14 -3.27 0.00 F 0.29 16 1 298.15 -8359.61 -8309.76 0.00 -58.21 F 0.00 # exchange 8 1 2 298.15 -8424.03 -8442.25 0.00 -13.18 T 0.25 2 1 298.15 -8428.99 -8411.06 12.61 0.00 T 0.25 3 4 298.15 -8482.55 -8400.21 0.00 -11.14 F 0.25 4 3 298.15 -8390.41 -8470.38 10.36 0.00 F 0.50 5 6 298.15 -8481.62 -8413.29 0.00 -7.41 T 0.75 6 5 298.15 -8406.83 -8474.87 7.65 0.00 T 0.50 7 8 298.15 -8423.32 -8359.63 0.00 -5.35 T 0.50 8 7 298.15 -8354.45 -8417.17 5.00 0.00 T 0.25 9 10 298.15 -8314.99 -8359.40 0.00 -3.19 F 0.00 10 9 298.15 -8357.28 -8310.92 1.66 0.00 F 0.00 11 12 298.15 -8312.92 -8450.63 0.00 -1.50 T 0.25 12 11 298.15 -8449.71 -8311.68 0.55 0.00 T 0.00 13 14 298.15 -8478.29 -8434.29 0.00 1.56 F 0.25 14 13 298.15 -8436.88 -8478.52 -1.38 0.00 F 0.50 15 16 298.15 -8391.83 -8428.45 0.00 4.07 F 0.25 16 15 298.15 -8434.47 -8395.76 -4.57 0.00 F 0.00 # exchange 9 1 16 298.15 -8489.77 -8290.43 -208.09 0.00 F 0.22 2 3 298.15 -8424.22 -8472.52 0.00 -12.36 F 0.22 3 2 298.15 -8462.44 -8411.49 10.88 0.00 F 0.22 4 5 298.15 -8434.88 -8391.38 0.00 -8.62 F 0.44 5 4 298.15 -8383.06 -8425.28 9.67 0.00 F 0.67 6 7 298.15 -8397.04 -8470.55 0.00 -7.70 F 0.44 7 6 298.15 -8465.38 -8387.98 7.08 0.00 F 0.44 8 9 298.15 -8364.76 -8405.22 0.00 -4.51 T 0.44 9 8 298.15 -8401.57 -8360.64 4.30 0.00 T 0.00 10 11 298.15 -8397.45 -8455.18 0.00 -2.48 F 0.00 11 10 298.15 -8454.86 -8394.79 1.18 0.00 F 0.22 12 13 298.15 -8338.97 -8380.18 0.00 -0.11 F 0.00 13 12 298.15 -8382.73 -8339.11 -1.70 0.00 F 0.22 14 15 298.15 -8436.45 -8401.60 0.00 2.43 F 0.44 15 14 298.15 -8406.78 -8438.67 -3.40 0.00 F 0.22 16 1 298.15 -8362.08 -8282.10 0.00 -58.34 F 0.00 # exchange 10 1 2 298.15 -8506.05 -8420.17 0.00 -13.17 F 0.20 2 1 298.15 -8408.55 -8492.92 12.51 0.00 F 0.20 3 4 298.15 -8491.68 -8424.33 0.00 -11.25 F 0.20 4 3 298.15 -8413.45 -8479.42 10.50 0.00 F 0.40 5 6 298.15 -8406.11 -8375.09 0.00 -7.53 F 0.60 6 5 298.15 -8368.49 -8397.23 7.54 0.00 F 0.40 7 8 298.15 -8405.12 -8386.59 0.00 -5.28 T 0.60 8 7 298.15 -8380.65 -8400.05 5.34 0.00 T 0.40 9 10 298.15 -8359.12 -8393.02 0.00 -2.96 T 0.20 10 9 298.15 -8390.98 -8356.65 1.76 0.00 T 0.00 11 12 298.15 -8386.62 -8373.10 0.00 -1.10 T 0.40 12 11 298.15 -8373.83 -8386.16 0.43 0.00 T 0.00 13 14 298.15 -8328.41 -8382.40 0.00 1.46 F 0.20 14 13 298.15 -8384.65 -8329.01 -1.48 0.00 F 0.40 15 16 298.15 -8429.24 -8384.61 0.00 4.09 T 0.40 16 15 298.15 -8389.32 -8433.38 -4.59 0.00 T 0.00 # exchange 11 1 16 298.15 -8495.96 -8346.99 -207.93 0.00 F 0.18 2 3 298.15 -8454.70 -8398.39 0.00 -12.21 T 0.36 3 2 298.15 -8387.57 -8442.92 10.87 0.00 T 0.18 4 5 298.15 -8407.98 -8419.95 0.00 -7.80 T 0.55 5 4 298.15 -8411.21 -8401.10 9.59 0.00 T 0.55 6 7 298.15 -8400.25 -8436.10 0.00 -7.27 T 0.55 7 6 298.15 -8429.60 -8393.73 7.02 0.00 T 0.55 8 9 298.15 -8400.44 -8381.06 0.00 -4.59 F 0.36 9 8 298.15 -8378.63 -8394.92 4.20 0.00 F 0.18 10 11 298.15 -8324.32 -8331.89 0.00 -2.53 F 0.00 11 10 298.15 -8330.45 -8321.48 1.23 0.00 F 0.36 12 13 298.15 -8394.31 -8475.06 0.00 -0.01 F 0.00 13 12 298.15 -8476.97 -8394.64 -1.73 0.00 F 0.18 14 15 298.15 -8434.25 -8450.20 0.00 2.38 F 0.36 15 14 298.15 -8454.48 -8436.28 -3.48 0.00 F 0.36 16 1 298.15 -8410.42 -8288.49 0.00 -58.45 F 0.00 # exchange 12 1 2 298.15 -8419.85 -8419.28 0.00 -13.26 T 0.33 2 1 298.15 -8405.63 -8405.24 12.92 0.00 T 0.33 3 4 298.15 -8480.18 -8471.57 0.00 -10.97 T 0.33 4 3 298.15 -8461.00 -8469.84 10.51 0.00 T 0.50 5 6 298.15 -8466.92 -8354.62 0.00 -7.60 F 0.50 6 5 298.15 -8349.20 -8458.61 7.44 0.00 F 0.50 7 8 298.15 -8435.66 -8357.57 0.00 -5.36 F 0.50 8 7 298.15 -8353.84 -8429.60 5.24 0.00 F 0.33 9 10 298.15 -8363.56 -8382.72 0.00 -3.04 F 0.17 10 9 298.15 -8380.95 -8359.83 1.76 0.00 F 0.00 11 12 298.15 -8378.76 -8362.64 0.00 -0.99 T 0.50 12 11 298.15 -8362.31 -8378.15 0.41 0.00 T 0.00 13 14 298.15 -8419.13 -8386.68 0.00 1.78 F 0.17 14 13 298.15 -8389.66 -8421.59 -1.58 0.00 F 0.33 15 16 298.15 -8348.45 -8382.75 0.00 4.03 T 0.50 16 15 298.15 -8385.82 -8352.04 -3.94 0.00 T 0.00 # exchange 13 1 16 298.15 -8482.72 -8307.89 -190.63 0.00 F 0.31 2 3 298.15 -8486.34 -8480.14 0.00 -12.28 T 0.46 3 2 298.15 -8467.60 -8473.41 11.57 0.00 T 0.31 4 5 298.15 -8395.98 -8525.39 0.00 -7.86 F 0.46 5 4 298.15 -8518.65 -8387.59 9.50 0.00 F 0.46 6 7 298.15 -8438.40 -8391.11 0.00 -7.34 F 0.46 7 6 298.15 -8384.80 -8430.37 6.95 0.00 F 0.46 8 9 298.15 -8320.98 -8383.79 0.00 -4.67 F 0.31 9 8 298.15 -8380.95 -8315.28 4.12 0.00 F 0.15 10 11 298.15 -8374.64 -8350.13 0.00 -2.38 F 0.00 11 10 298.15 -8349.36 -8372.75 1.19 0.00 F 0.46 12 13 298.15 -8405.52 -8387.38 0.00 -0.06 F 0.00 13 12 298.15 -8388.24 -8404.99 -1.50 0.00 F 0.15 14 15 298.15 -8330.94 -8367.51 0.00 2.50 F 0.31 15 14 298.15 -8371.53 -8333.88 -3.53 0.00 F 0.46 16 1 298.15 -8410.24 -8293.24 0.00 -58.54 F 0.00 # exchange 14 1 2 298.15 -8473.48 -8443.19 0.00 -13.13 F 0.29 2 1 298.15 -8430.91 -8460.82 12.86 0.00 F 0.43 3 4 298.15 -8486.81 -8478.91 0.00 -11.02 F 0.29 4 3 298.15 -8470.50 -8475.21 10.43 0.00 F 0.43 5 6 298.15 -8469.06 -8437.95 0.00 -7.69 F 0.43 6 5 298.15 -8430.21 -8459.83 7.49 0.00 F 0.43 7 8 298.15 -8363.95 -8400.72 0.00 -5.30 T 0.57 8 7 298.15 -8395.27 -8358.92 5.28 0.00 T 0.29 9 10 298.15 -8451.06 -8419.97 0.00 -3.11 F 0.14 10 9 298.15 -8417.62 -8446.86 1.89 0.00 F 0.00 11 12 298.15 -8445.77 -8360.88 0.00 -0.99 F 0.43 12 11 298.15 -8361.30 -8444.80 0.35 0.00 F 0.00 13 14 298.15 -8432.11 -8335.43 0.00 1.70 F 0.14 14 13 298.15 -8339.66 -8431.92 -1.67 0.00 F 0.29 15 16 298.15 -8384.01 -8371.36 0.00 4.68 F 0.43 16 15 298.15 -8377.50 -8389.64 -4.02 0.00 F 0.00 # exchange 15 1 16 298.15 -8472.77 -8254.20 -190.71 0.00 F 0.27 2 3 298.15 -8466.67 -8421.79 0.00 -12.29 F 0.40 3 2 298.15 -8409.60 -8454.32 11.69 0.00 F 0.27 4 5 298.15 -8365.97 -8327.16 0.00 -7.93 T 0.53 5 4 298.15 -8317.52 -8356.55 9.52 0.00 T 0.40 6 7 298.15 -8404.31 -8367.00 0.00 -6.98 F 0.40 7 6 298.15 -8361.56 -8398.17 6.88 0.00 F 0.53 8 9 298.15 -8342.28 -8399.30 0.00 -4.75 F 0.27 9 8 298.15 -8394.50 -8334.80 4.26 0.00 F 0.13 10 11 298.15 -8349.71 -8383.63 0.00 -2.32 F 0.00 11 10 298.15 -8383.61 -8347.72 1.12 0.00 F 0.40 12 13 298.15 -8434.42 -8440.03 0.00 -0.10 F 0.00 13 12 298.15 -8441.95 -8433.85 -1.54 0.00 F 0.13 14 15 298.15 -8394.32 -8455.29 0.00 2.54 F 0.27 15 14 298.15 -8459.78 -8397.09 -3.59 0.00 F 0.40 16 1 298.15 -8338.68 -8251.49 0.00 -58.62 F 0.00 # exchange 16 1 2 298.15 -8459.28 -8393.34 0.00 -13.13 T 0.37 2 1 298.15 -8379.87 -8446.12 12.98 0.00 T 0.37 3 4 298.15 -8369.06 -8465.51 0.00 -10.20 T 0.37 4 3 298.15 -8454.68 -8359.95 10.49 0.00 T 0.50 5 6 298.15 -8437.72 -8347.02 0.00 -7.77 T 0.50 6 5 298.15 -8337.77 -8427.34 8.20 0.00 T 0.37 7 8 298.15 -8399.94 -8398.51 0.00 -5.37 F 0.50 8 7 298.15 -8393.71 -8393.10 5.23 0.00 F 0.25 9 10 298.15 -8411.78 -8348.46 0.00 -3.19 F 0.12 10 9 298.15 -8345.47 -8406.95 2.20 0.00 F 0.00 11 12 298.15 -8347.15 -8377.12 0.00 -1.06 F 0.37 12 11 298.15 -8375.26 -8344.65 0.89 0.00 F 0.00 13 14 298.15 -8377.67 -8416.85 0.00 1.71 T 0.25 14 13 298.15 -8418.90 -8379.50 -1.71 0.00 T 0.25 15 16 298.15 -8452.30 -8472.27 0.00 4.64 T 0.50 16 15 298.15 -8476.16 -8456.66 -4.01 0.00 T 0.00 # exchange 17 1 16 298.15 -8417.74 -8370.54 -190.78 0.00 F 0.35 2 3 298.15 -8477.64 -8440.10 0.00 -12.18 F 0.35 3 2 298.15 -8429.64 -8465.94 11.63 0.00 F 0.35 4 5 298.15 -8407.45 -8326.02 0.00 -8.00 F 0.47 5 4 298.15 -8316.09 -8397.29 9.58 0.00 F 0.47 6 7 298.15 -8437.58 -8374.62 0.00 -6.88 T 0.47 7 6 298.15 -8368.55 -8431.20 6.83 0.00 T 0.47 8 9 298.15 -8401.47 -8411.08 0.00 -4.52 T 0.35 9 8 298.15 -8406.83 -8397.70 4.26 0.00 T 0.12 10 11 298.15 -8427.85 -8469.23 0.00 -1.73 T 0.12 11 10 298.15 -8467.80 -8427.18 1.16 0.00 T 0.35 12 13 298.15 -8435.20 -8367.65 0.00 -0.03 F 0.00 13 12 298.15 -8368.54 -8435.58 -1.42 0.00 F 0.24 14 15 298.15 -8358.54 -8358.06 0.00 2.49 F 0.24 15 14 298.15 -8361.58 -8360.18 -3.58 0.00 F 0.47 16 1 298.15 -8452.52 -8200.61 0.00 -58.69 F 0.00 # exchange 18 1 2 298.15 -8491.62 -8534.29 0.00 -13.18 F 0.33 2 1 298.15 -8522.24 -8477.92 12.92 0.00 F 0.33 3 4 298.15 -8544.46 -8436.09 0.00 -10.24 F 0.33 4 3 298.15 -8425.84 -8533.68 10.47 0.00 F 0.44 5 6 298.15 -8369.64 -8476.99 0.00 -7.81 T 0.56 6 5 298.15 -8468.60 -8361.33 8.22 0.00 T 0.44 7 8 298.15 -8455.66 -8423.38 0.00 -5.44 F 0.44 8 7 298.15 -8417.04 -8448.36 5.52 0.00 F 0.33 9 10 298.15 -8459.27 -8385.55 0.00 -3.03 T 0.22 10 9 298.15 -8382.93 -8456.88 2.26 0.00 T 0.11 11 12 298.15 -8291.40 -8400.52 0.00 -1.12 T 0.44 12 11 298.15 -8398.49 -8289.30 1.18 0.00 T 0.00 13 14 298.15 -8370.91 -8374.46 0.00 1.65 F 0.22 14 13 298.15 -8378.22 -8371.20 -1.77 0.00 F 0.22 15 16 298.15 -8443.35 -8450.86 0.00 4.58 F 0.44 16 15 298.15 -8457.23 -8445.71 -4.08 0.00 F 0.00 # exchange 19 1 16 298.15 -8422.17 -8341.88 -190.84 0.00 F 0.32 2 3 298.15 -8497.10 -8503.38 0.00 -12.24 F 0.32 3 2 298.15 -8492.66 -8483.35 11.58 0.00 F 0.32 4 5 298.15 -8385.87 -8377.66 0.00 -8.06 F 0.42 5 4 298.15 -8368.39 -8375.51 9.56 0.00 F 0.53 6 7 298.15 -8394.62 -8374.35 0.00 -6.94 F 0.42 7 6 298.15 -8367.55 -8385.46 6.83 0.00 F 0.42 8 9 298.15 -8492.07 -8379.46 0.00 -4.57 F 0.32 9 8 298.15 -8375.65 -8486.62 4.23 0.00 F 0.21 10 11 298.15 -8379.26 -8328.15 0.00 -1.73 F 0.11 11 10 298.15 -8327.21 -8377.55 1.14 0.00 F 0.42 12 13 298.15 -8301.74 -8450.96 0.00 -0.07 F 0.00 13 12 298.15 -8452.57 -8300.86 -1.43 0.00 F 0.21 14 15 298.15 -8337.96 -8309.26 0.00 2.43 F 0.21 15 14 298.15 -8313.40 -8338.75 -3.62 0.00 F 0.42 16 1 298.15 -8457.86 -8203.54 0.00 -58.75 F 0.00 # exchange 20 1 2 298.15 -8431.02 -8466.57 0.00 -13.23 F 0.30 2 1 298.15 -8453.71 -8416.66 12.92 0.00 F 0.30 3 4 298.15 -8421.86 -8426.74 0.00 -10.24 F 0.30 4 3 298.15 -8417.23 -8411.67 10.42 0.00 F 0.40 5 6 298.15 -8404.99 -8435.60 0.00 -7.76 F 0.50 6 5 298.15 -8428.70 -8397.54 8.17 0.00 F 0.40 7 8 298.15 -8404.83 -8453.98 0.00 -5.50 F 0.40 8 7 298.15 -8450.34 -8397.73 5.46 0.00 F 0.30 9 10 298.15 -8458.07 -8409.57 0.00 -2.87 T 0.30 10 9 298.15 -8407.76 -8455.88 2.23 0.00 T 0.10 11 12 298.15 -8408.61 -8366.25 0.00 -1.14 F 0.40 12 11 298.15 -8366.00 -8407.16 1.13 0.00 F 0.00 13 14 298.15 -8404.60 -8331.55 0.00 1.60 F 0.20 14 13 298.15 -8335.70 -8405.16 -1.83 0.00 F 0.20 15 16 298.15 -8441.32 -8455.50 0.00 4.53 F 0.40 16 15 298.15 -8461.28 -8445.12 -4.13 0.00 F 0.00 # exchange 21 1 16 298.15 -8482.94 -8350.23 -190.90 0.00 F 0.29 2 3 298.15 -8446.61 -8393.29 0.00 -12.06 T 0.38 3 2 298.15 -8382.10 -8435.33 11.55 0.00 T 0.29 4 5 298.15 -8468.83 -8372.37 0.00 -8.12 F 0.38 5 4 298.15 -8365.62 -8458.21 9.50 0.00 F 0.48 6 7 298.15 -8472.03 -8389.67 0.00 -6.92 T 0.48 7 6 298.15 -8382.75 -8465.22 6.84 0.00 T 0.38 8 9 298.15 -8458.39 -8388.59 0.00 -4.55 F 0.29 9 8 298.15 -8385.43 -8454.02 4.18 0.00 F 0.29 10 11 298.15 -8393.67 -8485.71 0.00 -1.78 F 0.10 11 10 298.15 -8484.73 -8390.42 1.13 0.00 F 0.38 12 13 298.15 -8403.29 -8375.85 0.00 0.41 T 0.10 13 12 298.15 -8377.35 -8404.81 -1.44 0.00 T 0.19 14 15 298.15 -8339.55 -8402.08 0.00 2.43 F 0.19 15 14 298.15 -8405.16 -8341.95 -3.55 0.00 F 0.38 16 1 298.15 -8405.35 -8249.14 0.00 -56.53 F 0.00 # exchange 22 1 2 298.15 -8512.72 -8338.81 0.00 -13.29 F 0.27 2 1 298.15 -8326.25 -8497.13 12.89 0.00 F 0.36 3 4 298.15 -8468.87 -8459.74 0.00 -10.29 F 0.27 4 3 298.15 -8451.55 -8456.83 10.37 0.00 F 0.36 5 6 298.15 -8369.57 -8415.00 0.00 -7.81 F 0.45 6 5 298.15 -8408.92 -8359.96 8.11 0.00 F 0.45 7 8 298.15 -8362.82 -8401.49 0.00 -5.28 T 0.45 8 7 298.15 -8394.65 -8358.37 5.82 0.00 T 0.27 9 10 298.15 -8371.05 -8345.01 0.00 -2.85 T 0.36 10 9 298.15 -8342.45 -8368.36 2.27 0.00 T 0.09 11 12 298.15 -8425.94 -8389.53 0.00 -1.18 T 0.45 12 11 298.15 -8388.74 -8424.23 1.11 0.00 T 0.09 13 14 298.15 -8369.75 -8437.49 0.00 1.61 T 0.27 14 13 298.15 -8441.01 -8371.49 -1.89 0.00 T 0.18 15 16 298.15 -8452.08 -8369.60 0.00 4.49 F 0.36 16 15 298.15 -8375.83 -8455.75 -4.19 0.00 F 0.00 # exchange 23 1 16 298.15 -8530.03 -8444.03 -190.95 0.00 F 0.26 2 3 298.15 -8416.68 -8422.25 0.00 -11.83 T 0.43 3 2 298.15 -8409.76 -8405.73 11.72 0.00 T 0.26 4 5 298.15 -8419.16 -8466.36 0.00 -8.16 F 0.35 5 4 298.15 -8458.64 -8410.25 9.45 0.00 F 0.43 6 7 298.15 -8449.55 -8401.67 0.00 -6.97 F 0.43 7 6 298.15 -8394.90 -8441.11 6.83 0.00 F 0.43 8 9 298.15 -8408.26 -8343.94 0.00 -4.32 T 0.35 9 8 298.15 -8339.51 -8404.84 4.21 0.00 T 0.35 10 11 298.15 -8396.50 -8347.14 0.00 -1.83 F 0.09 11 10 298.15 -8346.69 -8392.65 1.10 0.00 F 0.43 12 13 298.15 -8373.22 -8391.13 0.00 0.50 F 0.09 13 12 298.15 -8392.65 -8374.26 -1.45 0.00 F 0.26 14 15 298.15 -8374.85 -8355.00 0.00 2.56 F 0.17 15 14 298.15 -8359.63 -8378.08 -3.59 0.00 F 0.35 16 1 298.15 -8519.16 -8284.37 0.00 -56.58 F 0.00 # exchange 24 1 2 298.15 -8419.66 -8460.33 0.00 -13.28 T 0.33 2 1 298.15 -8447.81 -8406.45 12.87 0.00 T 0.42 3 4 298.15 -8419.62 -8435.89 0.00 -10.30 F 0.25 4 3 298.15 -8428.03 -8409.23 10.32 0.00 F 0.33 5 6 298.15 -8420.49 -8377.12 0.00 -7.81 F 0.42 6 5 298.15 -8372.22 -8412.73 8.06 0.00 F 0.42 7 8 298.15 -8393.09 -8400.09 0.00 -5.30 F 0.42 8 7 298.15 -8396.70 -8387.56 5.77 0.00 F 0.33 9 10 298.15 -8334.36 -8241.78 0.00 -2.88 F 0.33 10 9 298.15 -8239.86 -8330.91 2.25 0.00 F 0.08 11 12 298.15 -8468.68 -8381.37 0.00 -1.10 F 0.42 12 11 298.15 -8381.14 -8468.06 1.07 0.00 F 0.08 13 14 298.15 -8444.04 -8407.59 0.00 1.58 F 0.25 14 13 298.15 -8410.73 -8444.97 -1.93 0.00 F 0.17 15 16 298.15 -8392.02 -8331.87 0.00 4.58 T 0.42 16 15 298.15 -8337.86 -8397.15 -4.24 0.00 T 0.00 # exchange 25 1 16 298.15 -8466.58 -8357.87 -191.00 0.00 F 0.32 2 3 298.15 -8446.65 -8505.80 0.00 -11.86 F 0.40 3 2 298.15 -8495.41 -8434.30 11.68 0.00 F 0.24 4 5 298.15 -8453.87 -8368.12 0.00 -8.20 F 0.32 5 4 298.15 -8360.20 -8443.74 9.41 0.00 F 0.40 6 7 298.15 -8430.43 -8422.75 0.00 -6.99 F 0.40 7 6 298.15 -8418.23 -8423.21 6.78 0.00 F 0.40 8 9 298.15 -8440.85 -8387.96 0.00 -4.33 F 0.32 9 8 298.15 -8384.30 -8436.36 4.18 0.00 F 0.32 10 11 298.15 -8360.67 -8468.10 0.00 -1.87 F 0.08 11 10 298.15 -8466.40 -8357.04 1.17 0.00 F 0.40 12 13 298.15 -8473.17 -8411.39 0.00 0.45 F 0.08 13 12 298.15 -8411.13 -8471.97 -0.95 0.00 F 0.24 14 15 298.15 -8337.66 -8403.40 0.00 2.54 F 0.16 15 14 298.15 -8407.13 -8340.04 -3.60 0.00 F 0.40 16 1 298.15 -8433.63 -8250.05 0.00 -56.62 F 0.00 # exchange 26 1 2 298.15 -8489.37 -8485.64 0.00 -13.31 F 0.31 2 1 298.15 -8474.66 -8475.58 12.82 0.00 F 0.38 3 4 298.15 -8439.13 -8402.25 0.00 -10.34 F 0.23 4 3 298.15 -8392.56 -8427.84 10.29 0.00 F 0.31 5 6 298.15 -8381.13 -8423.44 0.00 -7.85 F 0.38 6 5 298.15 -8416.39 -8372.08 8.02 0.00 F 0.38 7 8 298.15 -8486.94 -8370.07 0.00 -5.30 T 0.46 8 7 298.15 -8363.17 -8481.63 5.98 0.00 T 0.31 9 10 298.15 -8427.19 -8404.14 0.00 -2.93 F 0.31 10 9 298.15 -8402.78 -8422.30 2.21 0.00 F 0.08 11 12 298.15 -8367.93 -8392.71 0.00 -1.11 F 0.38 12 11 298.15 -8392.90 -8366.67 1.03 0.00 F 0.08 13 14 298.15 -8375.79 -8317.56 0.00 1.62 T 0.31 14 13 298.15 -8319.42 -8377.78 -1.93 0.00 T 0.15 15 16 298.15 -8368.23 -8405.12 0.00 4.54 T 0.46 16 15 298.15 -8409.71 -8371.59 -4.26 0.00 T 0.00 # exchange 27 1 16 298.15 -8463.54 -8297.20 -179.59 0.00 F 0.30 2 3 298.15 -8413.32 -8500.95 0.00 -11.90 F 0.37 3 2 298.15 -8489.75 -8400.12 11.65 0.00 F 0.22 4 5 298.15 -8407.37 -8471.35 0.00 -8.23 F 0.30 5 4 298.15 -8464.39 -8398.55 9.36 0.00 F 0.37 6 7 298.15 -8334.45 -8466.32 0.00 -6.67 T 0.44 7 6 298.15 -8460.48 -8328.88 6.75 0.00 T 0.44 8 9 298.15 -8424.09 -8295.49 0.00 -4.22 F 0.30 9 8 298.15 -8293.99 -8420.54 4.13 0.00 F 0.30 10 11 298.15 -8393.77 -8406.14 0.00 -1.92 F 0.07 11 10 298.15 -8404.79 -8389.95 1.19 0.00 F 0.37 12 13 298.15 -8369.86 -8373.76 0.00 0.44 F 0.07 13 12 298.15 -8375.54 -8370.17 -0.99 0.00 F 0.30 14 15 298.15 -8400.43 -8389.78 0.00 2.51 F 0.15 15 14 298.15 -8394.95 -8401.85 -3.64 0.00 F 0.44 16 1 298.15 -8375.47 -8285.51 0.00 -56.67 F 0.00 # exchange 28 1 2 298.15 -8446.02 -8434.35 0.00 -13.19 F 0.29 2 1 298.15 -8422.09 -8433.54 12.80 0.00 F 0.36 3 4 298.15 -8396.13 -8424.08 0.00 -10.37 F 0.21 4 3 298.15 -8415.09 -8384.68 10.25 0.00 F 0.29 5 6 298.15 -8374.28 -8398.93 0.00 -7.81 T 0.43 6 5 298.15 -8390.79 -8366.83 8.03 0.00 T 0.43 7 8 298.15 -8452.07 -8427.95 0.00 -5.30 T 0.50 8 7 298.15 -8422.48 -8446.76 5.96 0.00 T 0.29 9 10 298.15 -8342.65 -8377.98 0.00 -2.88 T 0.36 10 9 298.15 -8375.03 -8340.18 2.31 0.00 T 0.07 11 12 298.15 -8386.35 -8464.53 0.00 -1.11 T 0.43 12 11 298.15 -8463.42 -8385.25 1.03 0.00 T 0.07 13 14 298.15 -8310.43 -8366.59 0.00 1.63 F 0.29 14 13 298.15 -8369.51 -8312.14 -1.96 0.00 F 0.14 15 16 298.15 -8378.02 -8353.98 0.00 4.49 F 0.43 16 15 298.15 -8358.80 -8380.68 -4.29 0.00 F 0.00 # exchange 29 1 16 298.15 -8505.85 -8332.94 -179.63 0.00 F 0.28 2 3 298.15 -8462.34 -8431.00 0.00 -11.90 F 0.34 3 2 298.15 -8419.53 -8450.36 11.64 0.00 F 0.21 4 5 298.15 -8385.69 -8462.34 0.00 -8.27 F 0.28 5 4 298.15 -8456.61 -8374.93 9.32 0.00 F 0.41 6 7 298.15 -8366.22 -8448.34 0.00 -6.66 T 0.48 7 6 298.15 -8441.56 -8359.63 6.75 0.00 T 0.48 8 9 298.15 -8457.43 -8357.09 0.00 -4.26 F 0.28 9 8 298.15 -8353.12 -8452.21 4.12 0.00 F 0.34 10 11 298.15 -8361.38 -8432.06 0.00 -1.82 F 0.07 11 10 298.15 -8432.03 -8360.25 1.15 0.00 F 0.41 12 13 298.15 -8378.10 -8435.14 0.00 0.42 F 0.07 13 12 298.15 -8438.05 -8378.15 -1.03 0.00 F 0.28 14 15 298.15 -8357.77 -8377.28 0.00 2.61 T 0.21 15 14 298.15 -8380.39 -8361.09 -3.58 0.00 T 0.41 16 1 298.15 -8409.10 -8304.89 0.00 -56.71 F 0.00 # exchange 30 1 2 298.15 -8502.66 -8530.71 0.00 -13.23 F 0.27 2 1 298.15 -8516.28 -8487.78 13.20 0.00 F 0.33 3 4 298.15 -8448.83 -8495.56 0.00 -10.41 T 0.27 4 3 298.15 -8485.11 -8437.50 10.26 0.00 T 0.27 5 6 298.15 -8446.11 -8530.14 0.00 -7.81 T 0.47 6 5 298.15 -8522.30 -8438.25 8.02 0.00 T 0.47 7 8 298.15 -8396.06 -8452.90 0.00 -5.34 F 0.47 8 7 298.15 -8447.29 -8388.26 5.94 0.00 F 0.27 9 10 298.15 -8342.69 -8381.36 0.00 -2.92 T 0.40 10 9 298.15 -8379.86 -8338.53 2.28 0.00 T 0.07 11 12 298.15 -8400.84 -8336.94 0.00 -1.14 F 0.40 12 11 298.15 -8336.67 -8398.93 1.01 0.00 F 0.07 13 14 298.15 -8444.74 -8322.74 0.00 1.62 T 0.33 14 13 298.15 -8325.45 -8446.28 -1.99 0.00 T 0.20 15 16 298.15 -8448.79 -8392.38 0.00 4.45 F 0.40 16 15 298.15 -8397.67 -8451.33 -4.32 0.00 F 0.00 # exchange 31 1 16 298.15 -8468.96 -8386.61 -179.67 0.00 F 0.26 2 3 298.15 -8423.86 -8452.51 0.00 -11.94 T 0.39 3 2 298.15 -8439.09 -8410.67 12.11 0.00 T 0.26 4 5 298.15 -8421.20 -8407.94 0.00 -8.31 F 0.26 5 4 298.15 -8398.44 -8411.01 9.34 0.00 F 0.45 6 7 298.15 -8422.24 -8344.54 0.00 -6.67 T 0.52 7 6 298.15 -8337.73 -8415.43 6.76 0.00 T 0.45 8 9 298.15 -8432.25 -8322.79 0.00 -4.28 F 0.26 9 8 298.15 -8318.77 -8427.52 4.12 0.00 F 0.39 10 11 298.15 -8437.48 -8415.24 0.00 -1.85 F 0.06 11 10 298.15 -8414.00 -8434.03 1.16 0.00 F 0.39 12 13 298.15 -8381.88 -8355.29 0.00 0.40 F 0.06 13 12 298.15 -8356.96 -8381.84 -1.05 0.00 F 0.32 14 15 298.15 -8422.62 -8407.03 0.00 2.86 T 0.26 15 14 298.15 -8410.68 -8426.57 -3.59 0.00 T 0.39 16 1 298.15 -8450.74 -8256.28 0.00 -56.75 F 0.00 # exchange 32 1 2 298.15 -8360.96 -8488.78 0.00 -13.26 F 0.25 2 1 298.15 -8476.14 -8346.18 13.18 0.00 F 0.37 3 4 298.15 -8455.82 -8433.47 0.00 -10.43 F 0.25 4 3 298.15 -8423.84 -8444.85 10.24 0.00 F 0.25 5 6 298.15 -8366.63 -8398.04 0.00 -7.85 F 0.44 6 5 298.15 -8390.71 -8357.22 8.00 0.00 F 0.50 7 8 298.15 -8389.76 -8422.41 0.00 -5.38 F 0.44 8 7 298.15 -8418.63 -8381.06 5.90 0.00 F 0.25 9 10 298.15 -8381.26 -8334.63 0.00 -2.95 F 0.37 10 9 298.15 -8332.40 -8377.39 2.27 0.00 F 0.06 11 12 298.15 -8384.22 -8357.73 0.00 -1.11 F 0.37 12 11 298.15 -8358.27 -8383.46 0.97 0.00 F 0.06 13 14 298.15 -8429.20 -8348.99 0.00 1.68 F 0.31 14 13 298.15 -8352.42 -8431.37 -2.03 0.00 F 0.25 15 16 298.15 -8410.43 -8346.12 0.00 4.42 F 0.37 16 15 298.15 -8351.31 -8413.52 -4.35 0.00 F 0.00 # exchange 33 1 16 298.15 -8544.66 -8295.78 -179.71 0.00 F 0.24 2 3 298.15 -8469.76 -8488.95 0.00 -11.95 T 0.42 3 2 298.15 -8477.26 -8457.67 12.09 0.00 T 0.24 4 5 298.15 -8407.98 -8439.35 0.00 -8.33 F 0.24 5 4 298.15 -8432.16 -8398.93 9.30 0.00 F 0.42 6 7 298.15 -8424.96 -8366.03 0.00 -6.66 F 0.48 7 6 298.15 -8361.38 -8418.43 6.72 0.00 F 0.42 8 9 298.15 -8372.13 -8426.90 0.00 -4.29 T 0.30 9 8 298.15 -8423.20 -8367.57 4.10 0.00 T 0.36 10 11 298.15 -8337.30 -8380.82 0.00 -1.81 T 0.12 11 10 298.15 -8378.45 -8335.93 1.36 0.00 T 0.36 12 13 298.15 -8446.59 -8466.35 0.00 0.37 F 0.06 13 12 298.15 -8468.48 -8445.12 -1.08 0.00 F 0.30 14 15 298.15 -8317.68 -8441.57 0.00 2.87 T 0.30 15 14 298.15 -8443.96 -8320.61 -3.40 0.00 T 0.36 16 1 298.15 -8368.31 -8316.07 0.00 -56.78 F 0.00 # exchange 34 1 2 298.15 -8424.83 -8502.64 0.00 -13.29 F 0.24 2 1 298.15 -8489.15 -8410.63 13.20 0.00 F 0.41 3 4 298.15 -8464.78 -8443.65 0.00 -10.38 F 0.24 4 3 298.15 -8434.65 -8454.90 10.21 0.00 F 0.24 5 6 298.15 -8435.02 -8447.17 0.00 -7.87 F 0.41 6 5 298.15 -8439.20 -8426.60 8.00 0.00 F 0.47 7 8 298.15 -8411.81 -8397.69 0.00 -5.41 F 0.41 8 7 298.15 -8393.63 -8404.94 5.87 0.00 F 0.29 9 10 298.15 -8456.49 -8360.87 0.00 -2.96 F 0.35 10 9 298.15 -8358.73 -8453.27 2.27 0.00 F 0.12 11 12 298.15 -8373.76 -8420.81 0.00 -1.13 F 0.35 12 11 298.15 -8420.93 -8372.21 0.94 0.00 F 0.06 13 14 298.15 -8380.89 -8382.01 0.00 1.69 F 0.29 14 13 298.15 -8384.07 -8382.80 -2.03 0.00 F 0.29 15 16 298.15 -8398.24 -8361.27 0.00 4.38 F 0.35 16 15 298.15 -8365.94 -8399.94 -4.36 0.00 F 0.00 # exchange 35 1 16 298.15 -8442.77 -8327.78 -179.74 0.00 F 0.23 2 3 298.15 -8456.42 -8473.11 0.00 -11.97 T 0.46 3 2 298.15 -8461.91 -8443.89 12.06 0.00 T 0.23 4 5 298.15 -8416.21 -8498.73 0.00 -8.36 F 0.23 5 4 298.15 -8492.24 -8406.75 9.27 0.00 F 0.40 6 7 298.15 -8405.01 -8402.55 0.00 -6.65 T 0.51 7 6 298.15 -8396.14 -8398.52 6.71 0.00 T 0.40 8 9 298.15 -8379.94 -8418.82 0.00 -4.31 F 0.29 9 8 298.15 -8416.66 -8375.15 4.07 0.00 F 0.34 10 11 298.15 -8430.16 -8410.63 0.00 -1.70 T 0.17 11 10 298.15 -8409.82 -8429.28 1.34 0.00 T 0.34 12 13 298.15 -8352.99 -8462.88 0.00 0.41 T 0.11 13 12 298.15 -8463.38 -8353.82 -1.03 0.00 T 0.29 14 15 298.15 -8358.40 -8413.04 0.00 2.92 F 0.29 15 14 298.15 -8417.32 -8361.86 -3.42 0.00 F 0.34 16 1 298.15 -8400.77 -8190.00 0.00 -56.82 F 0.00 # exchange 36 1 2 298.15 -8435.01 -8571.58 0.00 -13.29 T 0.28 2 1 298.15 -8557.53 -8421.70 13.30 0.00 T 0.44 3 4 298.15 -8458.98 -8401.16 0.00 -10.41 F 0.22 4 3 298.15 -8392.50 -8446.35 10.17 0.00 F 0.22 5 6 298.15 -8402.81 -8370.18 0.00 -7.87 F 0.39 6 5 298.15 -8363.84 -8395.00 7.96 0.00 F 0.50 7 8 298.15 -8397.61 -8437.71 0.00 -5.38 T 0.44 8 7 298.15 -8433.67 -8392.55 5.84 0.00 T 0.28 9 10 298.15 -8352.92 -8352.96 0.00 -2.99 F 0.33 10 9 298.15 -8351.21 -8348.36 2.25 0.00 F 0.17 11 12 298.15 -8426.58 -8466.19 0.00 -1.15 F 0.33 12 11 298.15 -8465.16 -8424.95 0.95 0.00 F 0.11 13 14 298.15 -8378.73 -8380.12 0.00 1.67 F 0.28 14 13 298.15 -8382.42 -8379.64 -2.04 0.00 F 0.28 15 16 298.15 -8360.66 -8373.91 0.00 4.35 T 0.39 16 15 298.15 -8376.91 -8363.68 -4.12 0.00 T 0.00 # exchange 37 1 16 298.15 -8515.68 -8322.05 -179.77 0.00 F 0.27 2 3 298.15 -8455.66 -8431.27 0.00 -11.98 F 0.43 3 2 298.15 -8419.95 -8443.45 12.04 0.00 F 0.22 4 5 298.15 -8411.51 -8428.81 0.00 -8.37 T 0.27 5 4 298.15 -8418.50 -8402.92 9.40 0.00 T 0.38 6 7 298.15 -8390.74 -8475.92 0.00 -6.58 T 0.54 7 6 298.15 -8468.48 -8384.83 6.78 0.00 T 0.43 8 9 298.15 -8393.79 -8373.03 0.00 -4.33 F 0.27 9 8 298.15 -8370.22 -8388.91 4.04 0.00 F 0.32 10 11 298.15 -8345.24 -8374.51 0.00 -1.71 F 0.16 11 10 298.15 -8372.84 -8343.04 1.36 0.00 F 0.32 12 13 298.15 -8397.83 -8334.65 0.00 0.40 F 0.11 13 12 298.15 -8336.31 -8398.00 -1.05 0.00 F 0.27 14 15 298.15 -8373.40 -8377.54 0.00 2.95 F 0.27 15 14 298.15 -8382.04 -8376.68 -3.45 0.00 F 0.38 16 1 298.15 -8436.15 -8297.32 0.00 -56.85 F 0.00 # exchange 38 1 2 298.15 -8451.79 -8479.75 0.00 -13.31 F 0.26 2 1 298.15 -8468.12 -8437.81 13.27 0.00 F 0.42 3 4 298.15 -8463.93 -8486.21 0.00 -10.44 F 0.21 4 3 298.15 -8477.77 -8452.05 10.14 0.00 F 0.26 5 6 298.15 -8519.44 -8403.80 0.00 -7.90 T 0.42 6 5 298.15 -8396.74 -8510.44 7.94 0.00 T 0.53 7 8 298.15 -8384.90 -8374.54 0.00 -5.38 F 0.42 8 7 298.15 -8370.71 -8379.64 5.81 0.00 F 0.26 9 10 298.15 -8390.86 -8415.15 0.00 -3.02 T 0.37 10 9 298.15 -8411.03 -8386.92 2.71 0.00 T 0.16 11 12 298.15 -8366.00 -8416.66 0.00 -1.02 F 0.32 12 11 298.15 -8416.91 -8365.88 0.92 0.00 F 0.11 13 14 298.15 -8322.72 -8408.22 0.00 1.64 F 0.26 14 13 298.15 -8410.66 -8323.02 -2.06 0.00 F 0.26 15 16 298.15 -8378.20 -8347.98 0.00 4.32 F 0.37 16 15 298.15 -8353.51 -8380.72 -4.15 0.00 F 0.00 # exchange 39 1 16 298.15 -8498.98 -8286.86 -179.80 0.00 F 0.26 2 3 298.15 -8421.90 -8454.01 0.00 -12.00 F 0.41 3 2 298.15 -8442.58 -8409.11 12.02 0.00 F 0.21 4 5 298.15 -8471.74 -8372.02 0.00 -8.40 F 0.26 5 4 298.15 -8362.26 -8460.82 9.43 0.00 F 0.41 6 7 298.15 -8533.97 -8490.66 0.00 -6.56 T 0.56 7 6 298.15 -8484.51 -8527.69 6.76 0.00 T 0.41 8 9 298.15 -8392.94 -8347.51 0.00 -3.65 T 0.31 9 8 298.15 -8344.67 -8390.85 4.01 0.00 T 0.36 10 11 298.15 -8354.10 -8383.77 0.00 -1.74 F 0.15 11 10 298.15 -8382.60 -8350.32 1.35 0.00 F 0.31 12 13 298.15 -8346.20 -8406.74 0.00 0.58 T 0.15 13 12 298.15 -8407.44 -8347.85 -1.03 0.00 T 0.26 14 15 298.15 -8336.01 -8423.33 0.00 2.92 T 0.31 15 14 298.15 -8425.32 -8337.99 -3.20 0.00 T 0.36 16 1 298.15 -8387.51 -8287.01 0.00 -56.88 F 0.00 # exchange 40 1 2 298.15 -8398.26 -8460.85 0.00 -13.33 F 0.25 2 1 298.15 -8449.09 -8384.38 13.24 0.00 F 0.40 3 4 298.15 -8443.48 -8491.11 0.00 -10.46 F 0.20 4 3 298.15 -8482.40 -8432.23 10.12 0.00 F 0.25 5 6 298.15 -8413.03 -8466.47 0.00 -7.89 F 0.40 6 5 298.15 -8459.55 -8405.30 7.91 0.00 F 0.55 7 8 298.15 -8432.45 -8406.08 0.00 -5.40 F 0.40 8 7 298.15 -8401.37 -8425.99 5.78 0.00 F 0.30 9 10 298.15 -8371.60 -8388.62 0.00 -3.04 T 0.40 10 9 298.15 -8383.93 -8367.83 3.22 0.00 T 0.15 11 12 298.15 -8426.51 -8349.89 0.00 -1.03 T 0.35 12 11 298.15 -8350.07 -8425.09 0.89 0.00 T 0.15 13 14 298.15 -8378.16 -8416.68 0.00 1.62 F 0.25 14 13 298.15 -8419.56 -8378.74 -2.08 0.00 F 0.30 15 16 298.15 -8430.07 -8329.57 0.00 4.31 F 0.35 16 15 298.15 -8334.97 -8433.95 -4.18 0.00 F 0.00 # exchange 41 1 16 298.15 -8397.00 -8276.55 -179.83 0.00 F 0.24 2 3 298.15 -8416.71 -8490.45 0.00 -11.98 T 0.44 3 2 298.15 -8478.83 -8405.00 12.01 0.00 T 0.20 4 5 298.15 -8436.27 -8425.15 0.00 -8.43 F 0.24 5 4 298.15 -8416.13 -8426.40 9.41 0.00 F 0.39 6 7 298.15 -8426.93 -8364.12 0.00 -6.58 F 0.54 7 6 298.15 -8358.80 -8419.15 6.73 0.00 F 0.39 8 9 298.15 -8327.56 -8421.32 0.00 -3.66 T 0.34 9 8 298.15 -8417.84 -8323.80 4.00 0.00 T 0.39 10 11 298.15 -8371.88 -8403.58 0.00 -1.75 F 0.15 11 10 298.15 -8402.26 -8369.91 1.35 0.00 F 0.34 12 13 298.15 -8436.59 -8427.19 0.00 0.56 T 0.20 13 12 298.15 -8426.76 -8436.35 -0.78 0.00 T 0.24 14 15 298.15 -8510.51 -8352.81 0.00 2.91 F 0.29 15 14 298.15 -8356.57 -8513.18 -3.21 0.00 F 0.34 16 1 298.15 -8385.28 -8191.42 0.00 -56.91 F 0.00 # exchange 42 1 2 298.15 -8485.02 -8481.89 0.00 -13.34 F 0.24 2 1 298.15 -8469.50 -8471.55 13.22 0.00 F 0.43 3 4 298.15 -8445.92 -8416.80 0.00 -10.49 F 0.19 4 3 298.15 -8405.96 -8433.87 10.18 0.00 F 0.24 5 6 298.15 -8310.09 -8384.89 0.00 -7.91 F 0.38 6 5 298.15 -8378.08 -8300.54 7.89 0.00 F 0.52 7 8 298.15 -8439.37 -8380.26 0.00 -5.35 T 0.43 8 7 298.15 -8375.18 -8434.62 5.76 0.00 T 0.33 9 10 298.15 -8362.38 -8365.71 0.00 -3.06 F 0.38 10 9 298.15 -8363.97 -8357.63 3.19 0.00 F 0.14 11 12 298.15 -8335.10 -8349.40 0.00 -0.72 T 0.38 12 11 298.15 -8349.65 -8335.68 0.87 0.00 T 0.19 13 14 298.15 -8417.32 -8398.62 0.00 1.84 T 0.29 14 13 298.15 -8401.82 -8420.35 -2.10 0.00 T 0.29 15 16 298.15 -8393.77 -8410.10 0.00 4.28 F 0.33 16 15 298.15 -8413.75 -8396.77 -4.14 0.00 F 0.00 # exchange 43 1 16 298.15 -8448.23 -8348.49 -179.86 0.00 F 0.23 2 3 298.15 -8415.61 -8445.53 0.00 -12.01 F 0.42 3 2 298.15 -8434.44 -8402.01 11.99 0.00 F 0.19 4 5 298.15 -8410.47 -8486.01 0.00 -8.45 F 0.23 5 4 298.15 -8477.78 -8400.65 9.39 0.00 F 0.37 6 7 298.15 -8412.26 -8418.07 0.00 -6.61 F 0.51 7 6 298.15 -8411.88 -8403.45 6.72 0.00 F 0.42 8 9 298.15 -8374.90 -8412.64 0.00 -3.68 F 0.33 9 8 298.15 -8409.96 -8369.99 3.97 0.00 F 0.37 10 11 298.15 -8376.31 -8415.71 0.00 -1.78 F 0.14 11 10 298.15 -8415.20 -8373.35 1.33 0.00 F 0.37 12 13 298.15 -8400.40 -8380.50 0.00 0.55 F 0.19 13 12 298.15 -8383.74 -8400.64 -0.81 0.00 F 0.28 14 15 298.15 -8411.09 -8312.19 0.00 3.04 T 0.33 15 14 298.15 -8316.03 -8415.10 -3.23 0.00 T 0.33 16 1 298.15 -8425.09 -8235.89 0.00 -56.94 F 0.00 # exchange 44 1 2 298.15 -8455.70 -8405.11 0.00 -13.36 F 0.23 2 1 298.15 -8393.29 -8441.62 13.19 0.00 F 0.41 3 4 298.15 -8461.95 -8404.46 0.00 -10.50 F 0.18 4 3 298.15 -8395.38 -8451.25 10.16 0.00 F 0.23 5 6 298.15 -8509.27 -8360.28 0.00 -7.92 F 0.36 6 5 298.15 -8354.51 -8501.20 7.86 0.00 F 0.50 7 8 298.15 -8405.34 -8383.74 0.00 -5.38 F 0.41 8 7 298.15 -8378.59 -8397.92 5.74 0.00 F 0.32 9 10 298.15 -8412.70 -8361.30 0.00 -3.08 F 0.36 10 9 298.15 -8359.64 -8409.28 3.16 0.00 F 0.14 11 12 298.15 -8307.97 -8391.07 0.00 -0.75 F 0.36 12 11 298.15 -8391.33 -8306.37 0.84 0.00 F 0.18 13 14 298.15 -8337.85 -8362.54 0.00 1.83 T 0.32 14 13 298.15 -8364.26 -8339.44 -2.08 0.00 T 0.32 15 16 298.15 -8422.15 -8380.40 0.00 4.26 F 0.32 16 15 298.15 -8385.36 -8425.57 -4.16 0.00 F 0.00 # exchange 45 1 16 298.15 -8470.15 -8272.92 -179.89 0.00 F 0.22 2 3 298.15 -8477.50 -8374.16 0.00 -12.01 T 0.44 3 2 298.15 -8361.82 -8465.52 12.01 0.00 T 0.18 4 5 298.15 -8358.13 -8497.76 0.00 -8.48 F 0.22 5 4 298.15 -8490.40 -8347.97 9.36 0.00 F 0.36 6 7 298.15 -8449.23 -8352.88 0.00 -6.60 T 0.53 7 6 298.15 -8346.75 -8442.90 6.70 0.00 T 0.40 8 9 298.15 -8416.83 -8401.70 0.00 -3.71 F 0.31 9 8 298.15 -8398.61 -8411.68 3.95 0.00 F 0.36 10 11 298.15 -8412.92 -8412.43 0.00 -1.79 T 0.18 11 10 298.15 -8410.31 -8410.78 1.40 0.00 T 0.36 12 13 298.15 -8377.53 -8329.41 0.00 0.53 T 0.22 13 12 298.15 -8329.90 -8377.68 -0.79 0.00 T 0.31 14 15 298.15 -8370.60 -8380.39 0.00 3.04 F 0.31 15 14 298.15 -8384.61 -8373.62 -3.25 0.00 F 0.31 16 1 298.15 -8374.04 -8251.59 0.00 -56.96 F 0.00 # exchange 46 1 2 298.15 -8439.41 -8415.30 0.00 -13.37 F 0.22 2 1 298.15 -8402.96 -8425.43 13.17 0.00 F 0.43 3 4 298.15 -8460.66 -8391.85 0.00 -10.52 F 0.17 4 3 298.15 -8382.63 -8449.35 10.14 0.00 F 0.22 5 6 298.15 -8347.27 -8489.08 0.00 -7.92 T 0.39 6 5 298.15 -8481.16 -8339.32 7.86 0.00 T 0.52 7 8 298.15 -8389.50 -8404.10 0.00 -5.39 F 0.39 8 7 298.15 -8401.65 -8383.41 5.72 0.00 F 0.30 9 10 298.15 -8348.87 -8336.90 0.00 -3.09 F 0.35 10 9 298.15 -8334.22 -8345.47 3.15 0.00 F 0.17 11 12 298.15 -8408.62 -8388.68 0.00 -0.66 F 0.35 12 11 298.15 -8389.72 -8408.79 0.82 0.00 F 0.22 13 14 298.15 -8384.13 -8311.02 0.00 1.83 F 0.30 14 13 298.15 -8314.64 -8385.97 -2.10 0.00 F 0.30 15 16 298.15 -8415.34 -8339.63 0.00 4.24 F 0.30 16 15 298.15 -8343.34 -8418.04 -4.13 0.00 F 0.00 # exchange 47 1 16 298.15 -8432.05 -8267.38 -179.91 0.00 F 0.21 2 3 298.15 -8488.73 -8481.45 0.00 -12.02 F 0.43 3 2 298.15 -8470.73 -8476.21 11.98 0.00 F 0.17 4 5 298.15 -8409.87 -8466.29 0.00 -8.50 F 0.21 5 4 298.15 -8458.24 -8400.40 9.34 0.00 F 0.38 6 7 298.15 -8427.30 -8423.57 0.00 -6.53 F 0.51 7 6 298.15 -8418.20 -8421.50 6.68 0.00 F 0.38 8 9 298.15 -8400.28 -8296.61 0.00 -3.73 F 0.30 9 8 298.15 -8293.43 -8393.13 3.93 0.00 F 0.34 10 11 298.15 -8390.76 -8413.79 0.00 -1.81 F 0.17 11 10 298.15 -8413.00 -8386.55 1.38 0.00 F 0.34 12 13 298.15 -8396.50 -8327.93 0.00 0.52 F 0.21 13 12 298.15 -8329.14 -8396.61 -0.81 0.00 F 0.30 14 15 298.15 -8319.39 -8338.76 0.00 3.02 F 0.30 15 14 298.15 -8343.50 -8321.07 -3.28 0.00 F 0.30 16 1 298.15 -8373.14 -8222.90 0.00 -56.99 F 0.00 # exchange 48 1 2 298.15 -8454.05 -8436.61 0.00 -13.32 T 0.25 2 1 298.15 -8424.70 -8441.42 13.15 0.00 T 0.42 3 4 298.15 -8392.17 -8429.01 0.00 -10.53 T 0.21 4 3 298.15 -8417.62 -8381.38 10.29 0.00 T 0.21 5 6 298.15 -8427.68 -8383.38 0.00 -7.93 T 0.42 6 5 298.15 -8376.38 -8419.45 7.85 0.00 T 0.50 7 8 298.15 -8458.48 -8426.34 0.00 -5.41 T 0.42 8 7 298.15 -8419.19 -8452.34 5.93 0.00 T 0.29 9 10 298.15 -8418.96 -8319.85 0.00 -3.10 F 0.33 10 9 298.15 -8319.06 -8415.44 3.12 0.00 F 0.17 11 12 298.15 -8394.93 -8411.77 0.00 -0.58 F 0.33 12 11 298.15 -8413.20 -8395.16 0.79 0.00 F 0.21 13 14 298.15 -8319.20 -8431.27 0.00 1.89 T 0.33 14 13 298.15 -8433.91 -8321.77 -2.12 0.00 T 0.29 15 16 298.15 -8351.09 -8401.32 0.00 4.28 F 0.29 16 15 298.15 -8407.84 -8355.93 -4.16 0.00 F 0.00 # exchange 49 1 16 298.15 -8468.89 -8260.26 -179.94 0.00 F 0.24 2 3 298.15 -8499.98 -8408.17 0.00 -11.98 F 0.41 3 2 298.15 -8397.37 -8488.59 11.96 0.00 F 0.20 4 5 298.15 -8431.48 -8437.40 0.00 -8.51 F 0.20 5 4 298.15 -8429.47 -8422.59 9.32 0.00 F 0.41 6 7 298.15 -8355.21 -8385.39 0.00 -6.55 T 0.53 7 6 298.15 -8377.38 -8348.03 6.85 0.00 T 0.41 8 9 298.15 -8398.09 -8444.23 0.00 -3.76 F 0.29 9 8 298.15 -8441.33 -8391.58 3.91 0.00 F 0.33 10 11 298.15 -8373.10 -8361.96 0.00 -1.81 T 0.20 11 10 298.15 -8360.16 -8371.27 1.41 0.00 T 0.33 12 13 298.15 -8359.69 -8403.60 0.00 0.52 T 0.24 13 12 298.15 -8403.50 -8360.19 -0.72 0.00 T 0.33 14 15 298.15 -8350.66 -8400.69 0.00 3.00 F 0.29 15 14 298.15 -8404.70 -8352.60 -3.29 0.00 F 0.29 16 1 298.15 -8350.70 -8277.89 0.00 -57.01 F 0.00 # exchange 50 1 2 298.15 -8493.39 -8515.39 0.00 -13.33 F 0.24 2 1 298.15 -8503.32 -8479.52 13.13 0.00 F 0.40 3 4 298.15 -8537.88 -8339.66 0.00 -10.54 F 0.20 4 3 298.15 -8330.78 -8526.71 10.27 0.00 F 0.20 5 6 298.15 -8465.51 -8378.25 0.00 -7.94 F 0.40 6 5 298.15 -8372.29 -8457.35 7.82 0.00 F 0.52 7 8 298.15 -8428.26 -8389.71 0.00 -5.38 T 0.44 8 7 298.15 -8385.13 -8423.39 5.91 0.00 T 0.28 9 10 298.15 -8482.20 -8378.90 0.00 -3.12 F 0.32 10 9 298.15 -8376.87 -8477.70 3.10 0.00 F 0.20 11 12 298.15 -8384.24 -8308.47 0.00 -0.60 F 0.32 12 11 298.15 -8308.94 -8381.95 0.77 0.00 F 0.24 13 14 298.15 -8372.08 -8364.91 0.00 1.90 T 0.36 14 13 298.15 -8366.95 -8374.21 -2.12 0.00 T 0.28 15 16 298.15 -8442.29 -8391.54 0.00 4.26 F 0.28 16 15 298.15 -8397.03 -8445.82 -4.18 0.00 F 0.00