# 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 -8495.74 -8412.49 0.00 -13.05 T 1.00 2 1 298.15 -8399.08 -8482.69 13.41 0.00 T 0.00 3 4 298.15 -8409.30 -8458.22 0.00 -10.15 F 0.00 4 3 298.15 -8449.08 -8399.15 9.14 0.00 F 0.00 5 6 298.15 -8429.10 -8446.51 0.00 -7.80 F 0.00 6 5 298.15 -8439.76 -8421.31 6.75 0.00 F 1.00 7 8 298.15 -8420.94 -8392.87 0.00 -6.08 F 0.00 8 7 298.15 -8389.65 -8414.85 3.23 0.00 F 0.00 9 10 298.15 -8365.36 -8436.45 0.00 -4.53 F 0.00 10 9 298.15 -8435.48 -8360.83 0.97 0.00 F 0.00 11 12 298.15 -8374.62 -8356.26 0.00 -1.23 F 0.00 12 11 298.15 -8356.17 -8373.40 0.09 0.00 F 0.00 13 14 298.15 -8415.42 -8391.36 0.00 2.24 T 1.00 14 13 298.15 -8393.69 -8417.66 -2.32 0.00 T 0.00 15 16 298.15 -8363.03 -8435.29 0.00 2.69 F 0.00 16 15 298.15 -8440.61 -8365.73 -5.32 0.00 F 0.00 # exchange 3 1 16 298.15 -8424.03 -8334.70 -213.48 0.00 F 0.67 2 3 298.15 -8397.68 -8401.40 0.00 -13.16 F 0.00 3 2 298.15 -8391.30 -8384.17 10.08 0.00 F 0.00 4 5 298.15 -8407.32 -8456.73 0.00 -9.79 F 0.00 5 4 298.15 -8448.30 -8397.60 8.48 0.00 F 0.00 6 7 298.15 -8463.14 -8407.76 0.00 -8.59 F 0.67 7 6 298.15 -8402.88 -8454.12 6.83 0.00 F 0.00 8 9 298.15 -8383.32 -8381.21 0.00 -4.64 T 0.67 9 8 298.15 -8377.01 -8378.82 3.80 0.00 T 0.00 10 11 298.15 -8441.49 -8344.28 0.00 -2.43 T 0.67 11 10 298.15 -8342.37 -8439.33 1.54 0.00 T 0.00 12 13 298.15 -8352.83 -8413.66 0.00 -0.50 F 0.00 13 12 298.15 -8414.51 -8352.40 -1.20 0.00 F 0.67 14 15 298.15 -8402.37 -8401.87 0.00 1.34 F 0.00 15 14 298.15 -8406.15 -8404.10 -3.35 0.00 F 0.00 16 1 298.15 -8414.62 -8204.24 0.00 -74.50 F 0.00 # exchange 4 1 2 298.15 -8425.45 -8498.59 0.00 -13.23 F 0.50 2 1 298.15 -8487.57 -8411.96 13.01 0.00 F 0.00 3 4 298.15 -8458.86 -8459.02 0.00 -10.42 F 0.00 4 3 298.15 -8449.35 -8447.91 9.47 0.00 F 0.00 5 6 298.15 -8450.12 -8407.78 0.00 -7.74 F 0.00 6 5 298.15 -8401.55 -8442.42 6.54 0.00 F 0.50 7 8 298.15 -8383.56 -8365.71 0.00 -6.45 F 0.00 8 7 298.15 -8360.38 -8375.96 4.94 0.00 F 0.50 9 10 298.15 -8403.45 -8417.55 0.00 -4.59 F 0.00 10 9 298.15 -8415.70 -8398.80 1.55 0.00 F 0.50 11 12 298.15 -8437.58 -8418.57 0.00 -1.07 F 0.00 12 11 298.15 -8420.31 -8436.63 -0.30 0.00 F 0.00 13 14 298.15 -8409.44 -8384.52 0.00 1.85 F 0.50 14 13 298.15 -8387.98 -8409.61 -2.65 0.00 F 0.00 15 16 298.15 -8397.08 -8453.03 0.00 2.76 F 0.00 16 15 298.15 -8457.29 -8399.89 -4.57 0.00 F 0.00 # exchange 5 1 16 298.15 -8477.56 -8318.32 -213.72 0.00 F 0.40 2 3 298.15 -8489.94 -8454.15 0.00 -12.75 F 0.00 3 2 298.15 -8442.61 -8477.59 10.99 0.00 F 0.00 4 5 298.15 -8410.05 -8393.23 0.00 -9.92 F 0.00 5 4 298.15 -8385.20 -8399.76 8.37 0.00 F 0.00 6 7 298.15 -8435.87 -8431.63 0.00 -8.54 F 0.40 7 6 298.15 -8427.23 -8427.42 6.59 0.00 F 0.00 8 9 298.15 -8283.96 -8401.87 0.00 -4.05 F 0.40 9 8 298.15 -8398.92 -8280.39 3.63 0.00 F 0.00 10 11 298.15 -8363.71 -8373.07 0.00 -2.52 F 0.40 11 10 298.15 -8372.64 -8360.95 1.34 0.00 F 0.00 12 13 298.15 -8357.61 -8424.70 0.00 0.35 F 0.00 13 12 298.15 -8428.04 -8358.50 -1.43 0.00 F 0.40 14 15 298.15 -8326.44 -8326.87 0.00 2.24 F 0.00 15 14 298.15 -8330.44 -8329.24 -3.41 0.00 F 0.00 16 1 298.15 -8384.32 -8259.08 0.00 -66.65 F 0.00 # exchange 6 1 2 298.15 -8437.55 -8523.19 0.00 -13.39 F 0.33 2 1 298.15 -8510.52 -8423.54 12.91 0.00 F 0.00 3 4 298.15 -8383.38 -8403.78 0.00 -10.44 T 0.33 4 3 298.15 -8393.64 -8372.91 9.78 0.00 T 0.00 5 6 298.15 -8435.61 -8455.56 0.00 -7.95 F 0.00 6 5 298.15 -8447.11 -8426.60 7.85 0.00 F 0.33 7 8 298.15 -8418.97 -8404.82 0.00 -6.53 F 0.00 8 7 298.15 -8399.30 -8412.26 5.20 0.00 F 0.33 9 10 298.15 -8412.79 -8402.56 0.00 -4.07 F 0.00 10 9 298.15 -8400.27 -8409.18 1.91 0.00 F 0.33 11 12 298.15 -8412.25 -8423.97 0.00 -1.03 T 0.33 12 11 298.15 -8423.97 -8411.29 -0.18 0.00 T 0.00 13 14 298.15 -8384.35 -8402.31 0.00 1.62 F 0.33 14 13 298.15 -8404.52 -8384.27 -2.46 0.00 F 0.00 15 16 298.15 -8391.94 -8420.07 0.00 3.21 T 0.33 16 15 298.15 -8426.03 -8395.58 -4.79 0.00 T 0.00 # exchange 7 1 16 298.15 -8453.70 -8348.20 -213.89 0.00 F 0.29 2 3 298.15 -8511.80 -8499.34 0.00 -12.89 F 0.00 3 2 298.15 -8487.69 -8498.02 11.23 0.00 F 0.29 4 5 298.15 -8447.17 -8432.29 0.00 -9.87 F 0.00 5 4 298.15 -8424.57 -8437.41 8.26 0.00 F 0.00 6 7 298.15 -8320.02 -8451.57 0.00 -7.56 F 0.29 7 6 298.15 -8445.21 -8313.20 6.54 0.00 F 0.00 8 9 298.15 -8363.84 -8457.20 0.00 -4.08 T 0.57 9 8 298.15 -8452.29 -8359.67 4.27 0.00 T 0.00 10 11 298.15 -8389.65 -8417.00 0.00 -2.35 F 0.29 11 10 298.15 -8415.56 -8387.63 1.37 0.00 F 0.29 12 13 298.15 -8450.10 -8354.27 0.00 0.19 F 0.00 13 12 298.15 -8356.84 -8448.85 -1.57 0.00 F 0.29 14 15 298.15 -8431.82 -8375.36 0.00 2.91 F 0.00 15 14 298.15 -8381.21 -8435.39 -3.58 0.00 F 0.29 16 1 298.15 -8396.26 -8235.80 0.00 -48.89 F 0.00 # exchange 8 1 2 298.15 -8381.97 -8499.67 0.00 -13.50 F 0.25 2 1 298.15 -8488.38 -8367.91 12.76 0.00 F 0.00 3 4 298.15 -8436.02 -8388.05 0.00 -9.34 F 0.25 4 3 298.15 -8380.84 -8427.43 9.61 0.00 F 0.00 5 6 298.15 -8456.01 -8441.20 0.00 -7.78 T 0.25 6 5 298.15 -8432.84 -8448.55 8.02 0.00 T 0.25 7 8 298.15 -8444.53 -8375.34 0.00 -6.55 F 0.00 8 7 298.15 -8370.02 -8437.88 5.24 0.00 F 0.50 9 10 298.15 -8353.43 -8348.06 0.00 -3.91 F 0.00 10 9 298.15 -8346.00 -8349.85 1.95 0.00 F 0.25 11 12 298.15 -8387.22 -8437.49 0.00 -0.93 F 0.25 12 11 298.15 -8437.35 -8386.51 -0.08 0.00 F 0.00 13 14 298.15 -8374.01 -8428.95 0.00 1.47 F 0.25 14 13 298.15 -8430.45 -8374.29 -2.04 0.00 F 0.00 15 16 298.15 -8453.85 -8397.20 0.00 4.22 T 0.50 16 15 298.15 -8402.87 -8458.80 -4.91 0.00 T 0.00 # exchange 9 1 16 298.15 -8519.40 -8332.60 -213.77 0.00 F 0.22 2 3 298.15 -8501.74 -8502.64 0.00 -12.69 F 0.00 3 2 298.15 -8492.67 -8489.50 11.11 0.00 F 0.22 4 5 298.15 -8475.87 -8424.32 0.00 -9.91 F 0.00 5 4 298.15 -8416.34 -8465.81 8.21 0.00 F 0.22 6 7 298.15 -8412.26 -8401.11 0.00 -7.37 F 0.22 7 6 298.15 -8394.86 -8405.33 6.49 0.00 F 0.00 8 9 298.15 -8441.64 -8392.82 0.00 -4.16 F 0.44 9 8 298.15 -8389.29 -8437.02 4.17 0.00 F 0.00 10 11 298.15 -8445.82 -8391.87 0.00 -2.45 F 0.22 11 10 298.15 -8390.28 -8442.56 1.42 0.00 F 0.22 12 13 298.15 -8411.52 -8329.06 0.00 0.18 T 0.22 13 12 298.15 -8329.27 -8411.64 -0.96 0.00 T 0.22 14 15 298.15 -8396.97 -8359.35 0.00 2.81 F 0.00 15 14 298.15 -8363.21 -8398.91 -3.63 0.00 F 0.44 16 1 298.15 -8439.57 -8305.97 0.00 -49.02 F 0.00 # exchange 10 1 2 298.15 -8445.04 -8466.48 0.00 -13.02 T 0.40 2 1 298.15 -8453.53 -8432.72 12.80 0.00 T 0.00 3 4 298.15 -8457.32 -8438.49 0.00 -9.46 F 0.20 4 3 298.15 -8428.11 -8446.66 9.87 0.00 F 0.00 5 6 298.15 -8458.62 -8393.36 0.00 -7.90 F 0.20 6 5 298.15 -8385.97 -8449.47 7.94 0.00 F 0.20 7 8 298.15 -8353.18 -8333.85 0.00 -6.61 F 0.00 8 7 298.15 -8330.71 -8346.24 5.11 0.00 F 0.40 9 10 298.15 -8364.33 -8338.34 0.00 -3.95 F 0.00 10 9 298.15 -8335.85 -8360.17 2.10 0.00 F 0.20 11 12 298.15 -8364.47 -8399.47 0.00 -1.05 F 0.20 12 11 298.15 -8401.34 -8362.12 -0.21 0.00 F 0.20 13 14 298.15 -8395.08 -8340.18 0.00 1.36 F 0.20 14 13 298.15 -8342.17 -8395.45 -2.03 0.00 F 0.00 15 16 298.15 -8369.57 -8424.74 0.00 4.10 F 0.40 16 15 298.15 -8429.57 -8372.38 -4.90 0.00 F 0.00 # exchange 11 1 16 298.15 -8487.12 -8329.47 -198.21 0.00 F 0.36 2 3 298.15 -8501.26 -8362.47 0.00 -12.25 T 0.18 3 2 298.15 -8351.59 -8489.77 11.08 0.00 T 0.18 4 5 298.15 -8392.16 -8412.48 0.00 -9.75 F 0.00 5 4 298.15 -8404.22 -8382.88 8.22 0.00 F 0.18 6 7 298.15 -8436.27 -8459.33 0.00 -7.38 F 0.18 7 6 298.15 -8453.55 -8428.84 6.42 0.00 F 0.00 8 9 298.15 -8391.48 -8384.16 0.00 -4.15 T 0.55 9 8 298.15 -8378.78 -8387.36 4.61 0.00 T 0.00 10 11 298.15 -8437.64 -8357.92 0.00 -2.49 F 0.18 11 10 298.15 -8357.28 -8434.91 1.34 0.00 F 0.18 12 13 298.15 -8453.19 -8445.48 0.00 0.09 F 0.18 13 12 298.15 -8446.26 -8452.40 -0.93 0.00 F 0.18 14 15 298.15 -8428.94 -8436.01 0.00 2.85 F 0.00 15 14 298.15 -8441.07 -8431.96 -3.73 0.00 F 0.36 16 1 298.15 -8386.58 -8289.98 0.00 -49.13 F 0.00 # exchange 12 1 2 298.15 -8505.65 -8490.00 0.00 -12.78 F 0.33 2 1 298.15 -8478.19 -8493.46 12.72 0.00 F 0.17 3 4 298.15 -8373.24 -8414.97 0.00 -9.54 F 0.17 4 3 298.15 -8405.67 -8362.89 9.80 0.00 F 0.00 5 6 298.15 -8358.69 -8405.59 0.00 -8.01 F 0.17 6 5 298.15 -8397.47 -8348.49 7.97 0.00 F 0.17 7 8 298.15 -8402.54 -8383.58 0.00 -5.72 F 0.00 8 7 298.15 -8379.46 -8397.76 5.02 0.00 F 0.50 9 10 298.15 -8475.99 -8467.42 0.00 -4.00 T 0.17 10 9 298.15 -8463.73 -8471.71 2.80 0.00 T 0.17 11 12 298.15 -8401.14 -8327.12 0.00 -1.04 F 0.17 12 11 298.15 -8327.12 -8400.13 -0.17 0.00 F 0.17 13 14 298.15 -8359.05 -8346.58 0.00 1.32 F 0.17 14 13 298.15 -8349.98 -8360.14 -2.13 0.00 F 0.00 15 16 298.15 -8360.44 -8381.53 0.00 4.00 F 0.33 16 15 298.15 -8387.22 -8362.95 -4.98 0.00 F 0.00 # exchange 13 1 16 298.15 -8508.67 -8309.55 -198.30 0.00 F 0.31 2 3 298.15 -8487.42 -8419.27 0.00 -12.32 F 0.15 3 2 298.15 -8410.77 -8474.27 10.99 0.00 F 0.15 4 5 298.15 -8406.22 -8410.85 0.00 -9.59 F 0.00 5 4 298.15 -8403.13 -8397.16 8.17 0.00 F 0.15 6 7 298.15 -8467.23 -8421.23 0.00 -7.46 F 0.15 7 6 298.15 -8415.39 -8458.61 6.37 0.00 F 0.00 8 9 298.15 -8366.06 -8377.32 0.00 -4.22 F 0.46 9 8 298.15 -8373.43 -8361.03 4.55 0.00 F 0.15 10 11 298.15 -8392.92 -8385.11 0.00 -2.56 F 0.15 11 10 298.15 -8382.46 -8389.49 1.79 0.00 F 0.15 12 13 298.15 -8442.91 -8414.31 0.00 0.02 F 0.15 13 12 298.15 -8417.13 -8442.10 -1.01 0.00 F 0.15 14 15 298.15 -8363.13 -8391.75 0.00 2.98 T 0.15 15 14 298.15 -8394.29 -8366.57 -3.34 0.00 T 0.31 16 1 298.15 -8388.52 -8290.92 0.00 -49.22 F 0.00 # exchange 14 1 2 298.15 -8458.91 -8478.91 0.00 -12.86 F 0.29 2 1 298.15 -8466.35 -8444.55 12.70 0.00 F 0.14 3 4 298.15 -8506.60 -8484.37 0.00 -9.59 T 0.29 4 3 298.15 -8473.50 -8496.52 10.12 0.00 T 0.00 5 6 298.15 -8327.28 -8413.30 0.00 -8.06 F 0.14 6 5 298.15 -8406.71 -8318.67 7.89 0.00 F 0.14 7 8 298.15 -8383.85 -8467.19 0.00 -5.66 T 0.14 8 7 298.15 -8462.01 -8378.48 5.05 0.00 T 0.43 9 10 298.15 -8399.48 -8332.87 0.00 -3.92 T 0.29 10 9 298.15 -8328.85 -8395.87 3.21 0.00 T 0.14 11 12 298.15 -8395.75 -8370.63 0.00 -0.61 T 0.29 12 11 298.15 -8369.66 -8395.98 0.19 0.00 T 0.14 13 14 298.15 -8429.25 -8388.54 0.00 1.24 F 0.14 14 13 298.15 -8390.66 -8429.19 -2.13 0.00 F 0.14 15 16 298.15 -8451.99 -8387.83 0.00 3.95 F 0.29 16 15 298.15 -8393.35 -8455.53 -5.03 0.00 F 0.00 # exchange 15 1 16 298.15 -8403.63 -8325.09 -198.38 0.00 F 0.27 2 3 298.15 -8433.02 -8375.07 0.00 -11.88 T 0.27 3 2 298.15 -8365.70 -8422.06 10.92 0.00 T 0.27 4 5 298.15 -8448.17 -8446.17 0.00 -9.27 F 0.00 5 4 298.15 -8438.49 -8439.71 8.13 0.00 F 0.13 6 7 298.15 -8453.51 -8398.03 0.00 -7.28 T 0.27 7 6 298.15 -8390.82 -8446.84 6.56 0.00 T 0.13 8 9 298.15 -8412.52 -8359.39 0.00 -4.07 T 0.53 9 8 298.15 -8356.04 -8409.02 4.48 0.00 T 0.27 10 11 298.15 -8355.57 -8462.07 0.00 -2.07 T 0.27 11 10 298.15 -8460.61 -8354.46 1.76 0.00 T 0.27 12 13 298.15 -8433.43 -8445.76 0.00 -0.03 F 0.13 13 12 298.15 -8446.44 -8432.80 -0.96 0.00 F 0.13 14 15 298.15 -8338.41 -8372.98 0.00 2.95 F 0.13 15 14 298.15 -8377.33 -8341.09 -3.40 0.00 F 0.27 16 1 298.15 -8400.85 -8193.43 0.00 -49.30 F 0.00 # exchange 16 1 2 298.15 -8486.60 -8443.63 0.00 -12.93 F 0.25 2 1 298.15 -8431.56 -8472.10 12.65 0.00 F 0.25 3 4 298.15 -8478.82 -8376.98 0.00 -9.67 F 0.25 4 3 298.15 -8367.19 -8466.37 10.09 0.00 F 0.00 5 6 298.15 -8380.59 -8420.19 0.00 -8.13 F 0.12 6 5 298.15 -8412.00 -8371.25 7.94 0.00 F 0.25 7 8 298.15 -8459.06 -8382.35 0.00 -5.73 F 0.12 8 7 298.15 -8378.26 -8452.15 4.98 0.00 F 0.50 9 10 298.15 -8412.38 -8409.75 0.00 -3.92 F 0.25 10 9 298.15 -8407.90 -8408.46 3.14 0.00 F 0.25 11 12 298.15 -8422.74 -8304.78 0.00 -0.68 F 0.25 12 11 298.15 -8304.57 -8420.61 0.19 0.00 F 0.12 13 14 298.15 -8356.29 -8384.25 0.00 1.21 F 0.12 14 13 298.15 -8386.30 -8357.25 -2.12 0.00 F 0.12 15 16 298.15 -8358.11 -8415.58 0.00 3.90 T 0.37 16 15 298.15 -8419.24 -8361.41 -4.58 0.00 T 0.00 # exchange 17 1 16 298.15 -8473.94 -8254.65 -198.45 0.00 F 0.24 2 3 298.15 -8466.52 -8529.10 0.00 -11.91 F 0.24 3 2 298.15 -8519.89 -8454.19 10.85 0.00 F 0.24 4 5 298.15 -8429.44 -8385.04 0.00 -9.05 T 0.12 5 4 298.15 -8375.86 -8421.13 8.38 0.00 T 0.12 6 7 298.15 -8355.11 -8443.83 0.00 -7.33 F 0.24 7 6 298.15 -8438.69 -8347.08 6.50 0.00 F 0.12 8 9 298.15 -8397.90 -8459.68 0.00 -3.85 T 0.59 9 8 298.15 -8455.63 -8394.79 4.45 0.00 T 0.24 10 11 298.15 -8397.70 -8433.89 0.00 -2.01 T 0.35 11 10 298.15 -8430.47 -8396.00 2.36 0.00 T 0.24 12 13 298.15 -8375.66 -8387.06 0.00 -0.04 F 0.12 13 12 298.15 -8388.95 -8375.57 -1.01 0.00 F 0.12 14 15 298.15 -8373.08 -8393.16 0.00 2.89 F 0.12 15 14 298.15 -8396.42 -8374.66 -3.39 0.00 F 0.35 16 1 298.15 -8360.12 -8245.36 0.00 -49.37 F 0.00 # exchange 18 1 2 298.15 -8434.86 -8491.53 0.00 -12.99 F 0.22 2 1 298.15 -8481.06 -8421.06 12.58 0.00 F 0.22 3 4 298.15 -8418.30 -8470.14 0.00 -9.74 F 0.22 4 3 298.15 -8459.18 -8405.58 10.28 0.00 F 0.11 5 6 298.15 -8409.65 -8427.57 0.00 -8.18 F 0.11 6 5 298.15 -8421.33 -8400.74 7.87 0.00 F 0.22 7 8 298.15 -8458.77 -8474.95 0.00 -5.68 F 0.11 8 7 298.15 -8470.94 -8453.35 4.93 0.00 F 0.56 9 10 298.15 -8381.41 -8402.64 0.00 -3.41 T 0.33 10 9 298.15 -8399.04 -8379.03 3.21 0.00 T 0.33 11 12 298.15 -8422.39 -8388.98 0.00 -0.66 T 0.33 12 11 298.15 -8389.44 -8421.86 0.15 0.00 T 0.11 13 14 298.15 -8366.45 -8415.10 0.00 1.30 F 0.11 14 13 298.15 -8418.42 -8368.22 -2.18 0.00 F 0.11 15 16 298.15 -8424.32 -8394.16 0.00 3.88 F 0.33 16 15 298.15 -8400.21 -8427.93 -4.65 0.00 F 0.00 # exchange 19 1 16 298.15 -8401.84 -8326.31 -196.85 0.00 F 0.21 2 3 298.15 -8402.53 -8396.41 0.00 -11.90 T 0.32 3 2 298.15 -8383.80 -8390.75 11.47 0.00 T 0.21 4 5 298.15 -8497.20 -8420.97 0.00 -9.09 F 0.11 5 4 298.15 -8413.27 -8487.51 8.34 0.00 F 0.11 6 7 298.15 -8457.71 -8315.07 0.00 -7.37 F 0.21 7 6 298.15 -8309.09 -8449.71 6.46 0.00 F 0.11 8 9 298.15 -8355.10 -8371.86 0.00 -3.91 F 0.53 9 8 298.15 -8368.00 -8348.94 4.41 0.00 F 0.32 10 11 298.15 -8387.89 -8328.25 0.00 -1.99 F 0.32 11 10 298.15 -8327.48 -8386.08 2.30 0.00 F 0.32 12 13 298.15 -8371.81 -8428.67 0.00 -0.10 F 0.11 13 12 298.15 -8429.91 -8369.39 -1.03 0.00 F 0.11 14 15 298.15 -8361.02 -8382.74 0.00 2.84 F 0.11 15 14 298.15 -8386.75 -8362.97 -3.43 0.00 F 0.32 16 1 298.15 -8406.64 -8206.32 0.00 -49.43 F 0.00 # exchange 20 1 2 298.15 -8464.82 -8421.72 0.00 -13.02 T 0.30 2 1 298.15 -8408.00 -8451.45 12.85 0.00 T 0.30 3 4 298.15 -8410.01 -8383.89 0.00 -9.80 F 0.20 4 3 298.15 -8375.16 -8397.06 10.22 0.00 F 0.10 5 6 298.15 -8404.02 -8473.02 0.00 -8.12 T 0.20 6 5 298.15 -8464.60 -8396.29 7.96 0.00 T 0.20 7 8 298.15 -8503.72 -8377.80 0.00 -5.69 T 0.20 8 7 298.15 -8372.10 -8497.91 5.07 0.00 T 0.50 9 10 298.15 -8344.54 -8422.08 0.00 -3.43 F 0.30 10 9 298.15 -8419.93 -8340.85 3.16 0.00 F 0.30 11 12 298.15 -8432.77 -8351.62 0.00 -0.71 F 0.30 12 11 298.15 -8351.18 -8431.18 0.19 0.00 F 0.10 13 14 298.15 -8382.77 -8430.18 0.00 1.45 T 0.20 14 13 298.15 -8431.40 -8384.87 -1.97 0.00 T 0.10 15 16 298.15 -8398.46 -8353.35 0.00 3.87 F 0.30 16 15 298.15 -8358.92 -8402.22 -4.69 0.00 F 0.00 # exchange 21 1 16 298.15 -8479.34 -8340.05 -196.90 0.00 F 0.29 2 3 298.15 -8461.46 -8482.39 0.00 -11.92 F 0.29 3 2 298.15 -8470.58 -8449.31 11.51 0.00 F 0.19 4 5 298.15 -8381.40 -8386.57 0.00 -9.14 F 0.10 5 4 298.15 -8378.81 -8370.36 8.31 0.00 F 0.19 6 7 298.15 -8420.23 -8384.94 0.00 -7.42 F 0.19 7 6 298.15 -8378.79 -8411.70 6.44 0.00 F 0.19 8 9 298.15 -8423.07 -8389.57 0.00 -3.96 F 0.48 9 8 298.15 -8385.80 -8417.40 4.37 0.00 F 0.29 10 11 298.15 -8357.04 -8358.28 0.00 -1.99 F 0.29 11 10 298.15 -8358.10 -8355.09 2.24 0.00 F 0.29 12 13 298.15 -8393.77 -8447.06 0.00 0.08 T 0.19 13 12 298.15 -8445.97 -8394.60 -0.18 0.00 T 0.19 14 15 298.15 -8356.09 -8424.90 0.00 2.87 T 0.19 15 14 298.15 -8427.67 -8359.23 -3.33 0.00 T 0.29 16 1 298.15 -8436.40 -8272.48 0.00 -49.49 F 0.00 # exchange 22 1 2 298.15 -8544.67 -8488.21 0.00 -13.01 F 0.27 2 1 298.15 -8476.13 -8531.72 12.81 0.00 F 0.27 3 4 298.15 -8490.75 -8434.73 0.00 -9.86 F 0.18 4 3 298.15 -8423.78 -8478.49 10.34 0.00 F 0.09 5 6 298.15 -8439.35 -8496.48 0.00 -8.16 F 0.18 6 5 298.15 -8488.99 -8430.21 7.93 0.00 F 0.18 7 8 298.15 -8380.75 -8424.10 0.00 -5.74 F 0.18 8 7 298.15 -8420.18 -8373.71 5.02 0.00 F 0.45 9 10 298.15 -8350.03 -8442.14 0.00 -3.44 F 0.27 10 9 298.15 -8440.28 -8346.48 3.11 0.00 F 0.27 11 12 298.15 -8350.07 -8391.48 0.00 -0.52 T 0.36 12 11 298.15 -8391.51 -8350.34 0.17 0.00 T 0.18 13 14 298.15 -8437.15 -8390.80 0.00 2.34 T 0.27 14 13 298.15 -8393.18 -8440.77 -2.00 0.00 T 0.18 15 16 298.15 -8446.33 -8433.75 0.00 3.88 F 0.27 16 15 298.15 -8438.04 -8450.33 -4.64 0.00 F 0.00 # exchange 23 1 16 298.15 -8433.45 -8344.56 -196.95 0.00 F 0.26 2 3 298.15 -8444.55 -8494.58 0.00 -11.96 T 0.35 3 2 298.15 -8482.91 -8431.40 11.53 0.00 T 0.17 4 5 298.15 -8436.30 -8374.48 0.00 -9.11 T 0.17 5 4 298.15 -8364.91 -8427.48 8.59 0.00 T 0.17 6 7 298.15 -8428.88 -8438.76 0.00 -7.46 F 0.17 7 6 298.15 -8431.35 -8420.65 6.62 0.00 F 0.17 8 9 298.15 -8288.33 -8463.34 0.00 -3.99 T 0.52 9 8 298.15 -8458.68 -8283.94 4.40 0.00 T 0.26 10 11 298.15 -8402.31 -8416.76 0.00 -2.03 F 0.26 11 10 298.15 -8416.14 -8399.00 2.19 0.00 F 0.35 12 13 298.15 -8429.57 -8371.10 0.00 0.06 F 0.17 13 12 298.15 -8372.43 -8429.41 -0.23 0.00 F 0.26 14 15 298.15 -8438.45 -8451.37 0.00 2.86 T 0.26 15 14 298.15 -8454.05 -8441.17 -3.23 0.00 T 0.26 16 1 298.15 -8439.42 -8226.38 0.00 -49.54 F 0.00 # exchange 24 1 2 298.15 -8471.06 -8458.21 0.00 -13.06 F 0.25 2 1 298.15 -8445.08 -8456.64 12.85 0.00 F 0.33 3 4 298.15 -8500.92 -8392.59 0.00 -9.90 F 0.17 4 3 298.15 -8384.16 -8490.12 10.29 0.00 F 0.17 5 6 298.15 -8401.35 -8443.47 0.00 -8.11 T 0.25 6 5 298.15 -8435.54 -8393.61 7.93 0.00 T 0.17 7 8 298.15 -8377.78 -8365.05 0.00 -5.78 F 0.17 8 7 298.15 -8359.63 -8371.32 5.07 0.00 F 0.50 9 10 298.15 -8415.42 -8402.82 0.00 -3.44 T 0.33 10 9 298.15 -8399.66 -8412.02 3.11 0.00 T 0.25 11 12 298.15 -8336.43 -8420.38 0.00 -0.54 T 0.42 12 11 298.15 -8420.72 -8335.57 0.14 0.00 T 0.17 13 14 298.15 -8416.03 -8361.36 0.00 2.34 T 0.33 14 13 298.15 -8363.66 -8418.34 -2.02 0.00 T 0.25 15 16 298.15 -8414.06 -8320.29 0.00 4.12 T 0.33 16 15 298.15 -8327.54 -8419.08 -4.69 0.00 T 0.00 # exchange 25 1 16 298.15 -8420.82 -8320.32 -197.00 0.00 F 0.24 2 3 298.15 -8490.13 -8443.67 0.00 -12.00 F 0.32 3 2 298.15 -8432.13 -8477.33 11.53 0.00 F 0.16 4 5 298.15 -8408.98 -8416.95 0.00 -9.15 F 0.16 5 4 298.15 -8408.83 -8398.54 8.56 0.00 F 0.24 6 7 298.15 -8412.45 -8447.31 0.00 -7.44 F 0.16 7 6 298.15 -8440.46 -8405.14 6.64 0.00 F 0.16 8 9 298.15 -8452.56 -8407.90 0.00 -4.03 F 0.48 9 8 298.15 -8403.85 -8447.49 4.38 0.00 F 0.32 10 11 298.15 -8389.43 -8334.91 0.00 -2.02 T 0.32 11 10 298.15 -8333.20 -8387.56 2.17 0.00 T 0.40 12 13 298.15 -8376.96 -8377.57 0.00 0.05 F 0.16 13 12 298.15 -8379.14 -8376.82 -0.27 0.00 F 0.32 14 15 298.15 -8418.73 -8428.16 0.00 2.90 F 0.24 15 14 298.15 -8432.14 -8421.97 -3.27 0.00 F 0.32 16 1 298.15 -8413.16 -8205.56 0.00 -49.58 F 0.00 # exchange 26 1 2 298.15 -8508.78 -8448.78 0.00 -13.10 F 0.23 2 1 298.15 -8436.52 -8494.14 12.82 0.00 F 0.31 3 4 298.15 -8471.55 -8474.20 0.00 -9.92 F 0.15 4 3 298.15 -8465.80 -8461.17 10.24 0.00 F 0.15 5 6 298.15 -8431.78 -8403.69 0.00 -8.14 F 0.23 6 5 298.15 -8397.38 -8423.25 7.88 0.00 F 0.15 7 8 298.15 -8410.07 -8431.28 0.00 -5.80 F 0.15 8 7 298.15 -8425.92 -8403.93 5.10 0.00 F 0.46 9 10 298.15 -8420.67 -8375.62 0.00 -3.47 T 0.38 10 9 298.15 -8372.26 -8416.29 3.14 0.00 T 0.31 11 12 298.15 -8412.94 -8423.79 0.00 -0.58 F 0.38 12 11 298.15 -8424.42 -8411.11 0.11 0.00 F 0.15 13 14 298.15 -8396.44 -8314.79 0.00 2.36 T 0.38 14 13 298.15 -8317.86 -8399.04 -2.06 0.00 T 0.23 15 16 298.15 -8421.32 -8342.69 0.00 4.12 F 0.31 16 15 298.15 -8348.95 -8425.44 -4.74 0.00 F 0.00 # exchange 27 1 16 298.15 -8446.86 -8340.43 -197.05 0.00 F 0.22 2 3 298.15 -8427.60 -8418.78 0.00 -11.93 F 0.30 3 2 298.15 -8409.02 -8416.17 11.49 0.00 F 0.15 4 5 298.15 -8445.90 -8471.60 0.00 -9.18 F 0.15 5 4 298.15 -8464.17 -8435.98 8.53 0.00 F 0.22 6 7 298.15 -8438.18 -8466.63 0.00 -7.23 T 0.22 7 6 298.15 -8460.35 -8431.91 6.62 0.00 T 0.15 8 9 298.15 -8412.04 -8390.65 0.00 -4.06 F 0.44 9 8 298.15 -8386.08 -8407.43 4.40 0.00 F 0.37 10 11 298.15 -8406.05 -8437.28 0.00 -1.95 F 0.30 11 10 298.15 -8437.39 -8404.61 2.13 0.00 F 0.37 12 13 298.15 -8330.44 -8330.88 0.00 0.07 F 0.15 13 12 298.15 -8333.83 -8330.70 -0.31 0.00 F 0.37 14 15 298.15 -8446.75 -8432.31 0.00 2.87 F 0.22 15 14 298.15 -8435.99 -8449.09 -3.29 0.00 F 0.30 16 1 298.15 -8405.93 -8228.43 0.00 -49.63 F 0.00 # exchange 28 1 2 298.15 -8462.60 -8465.71 0.00 -13.09 F 0.21 2 1 298.15 -8454.55 -8449.59 12.78 0.00 F 0.29 3 4 298.15 -8479.94 -8379.33 0.00 -9.96 F 0.14 4 3 298.15 -8369.23 -8468.73 10.23 0.00 F 0.14 5 6 298.15 -8438.21 -8391.16 0.00 -8.18 F 0.21 6 5 298.15 -8383.88 -8428.77 7.86 0.00 F 0.21 7 8 298.15 -8425.22 -8358.44 0.00 -5.84 F 0.14 8 7 298.15 -8355.87 -8418.51 5.05 0.00 F 0.43 9 10 298.15 -8392.28 -8429.54 0.00 -3.50 F 0.36 10 9 298.15 -8426.81 -8388.20 3.11 0.00 F 0.29 11 12 298.15 -8458.63 -8400.12 0.00 -0.10 T 0.43 12 11 298.15 -8399.88 -8459.78 0.12 0.00 T 0.14 13 14 298.15 -8326.58 -8343.50 0.00 2.32 F 0.36 14 13 298.15 -8346.56 -8326.68 -2.10 0.00 F 0.21 15 16 298.15 -8353.23 -8366.84 0.00 4.21 T 0.36 16 15 298.15 -8372.20 -8358.07 -4.77 0.00 T 0.00 # exchange 29 1 16 298.15 -8420.11 -8284.96 -197.09 0.00 F 0.21 2 3 298.15 -8392.65 -8469.46 0.00 -11.94 F 0.28 3 2 298.15 -8458.26 -8380.67 11.47 0.00 F 0.14 4 5 298.15 -8440.21 -8458.03 0.00 -9.22 F 0.14 5 4 298.15 -8450.27 -8429.71 8.50 0.00 F 0.21 6 7 298.15 -8329.43 -8432.95 0.00 -7.10 T 0.28 7 6 298.15 -8426.19 -8323.12 6.63 0.00 T 0.14 8 9 298.15 -8414.66 -8439.62 0.00 -4.04 T 0.48 9 8 298.15 -8435.94 -8410.76 4.37 0.00 T 0.34 10 11 298.15 -8411.27 -8430.32 0.00 -1.98 F 0.28 11 10 298.15 -8429.29 -8408.20 2.09 0.00 F 0.41 12 13 298.15 -8443.54 -8395.53 0.00 0.07 F 0.14 13 12 298.15 -8397.33 -8443.62 -0.35 0.00 F 0.34 14 15 298.15 -8415.21 -8313.23 0.00 2.83 F 0.21 15 14 298.15 -8317.54 -8415.74 -3.32 0.00 F 0.34 16 1 298.15 -8381.41 -8206.88 0.00 -49.67 F 0.00 # exchange 30 1 2 298.15 -8449.79 -8453.24 0.00 -13.13 T 0.27 2 1 298.15 -8439.31 -8435.62 12.98 0.00 T 0.27 3 4 298.15 -8477.31 -8419.75 0.00 -10.00 F 0.13 4 3 298.15 -8410.28 -8465.11 10.20 0.00 F 0.13 5 6 298.15 -8429.18 -8423.26 0.00 -8.22 F 0.20 6 5 298.15 -8416.20 -8419.33 7.83 0.00 F 0.27 7 8 298.15 -8462.87 -8423.44 0.00 -5.87 F 0.13 8 7 298.15 -8416.90 -8456.07 5.39 0.00 F 0.47 9 10 298.15 -8396.98 -8367.42 0.00 -3.54 F 0.33 10 9 298.15 -8364.31 -8392.48 3.11 0.00 F 0.27 11 12 298.15 -8416.72 -8355.42 0.00 -0.14 F 0.40 12 11 298.15 -8355.09 -8415.24 0.13 0.00 F 0.13 13 14 298.15 -8311.50 -8369.32 0.00 2.34 F 0.33 14 13 298.15 -8372.52 -8314.04 -2.13 0.00 F 0.20 15 16 298.15 -8320.61 -8396.94 0.00 4.30 T 0.40 16 15 298.15 -8402.67 -8325.55 -4.80 0.00 T 0.00 # exchange 31 1 16 298.15 -8429.46 -8318.83 -197.12 0.00 F 0.26 2 3 298.15 -8435.99 -8471.76 0.00 -11.97 F 0.26 3 2 298.15 -8460.08 -8422.12 11.49 0.00 F 0.13 4 5 298.15 -8396.00 -8426.62 0.00 -9.24 F 0.13 5 4 298.15 -8417.66 -8386.24 8.54 0.00 F 0.19 6 7 298.15 -8420.14 -8396.26 0.00 -7.05 T 0.32 7 6 298.15 -8389.49 -8413.57 6.64 0.00 T 0.13 8 9 298.15 -8361.16 -8367.24 0.00 -3.97 F 0.45 9 8 298.15 -8364.32 -8357.79 4.33 0.00 F 0.32 10 11 298.15 -8336.01 -8442.92 0.00 -2.01 F 0.26 11 10 298.15 -8442.45 -8333.44 2.06 0.00 F 0.39 12 13 298.15 -8389.73 -8365.63 0.00 0.05 F 0.13 13 12 298.15 -8366.78 -8389.37 -0.38 0.00 F 0.32 14 15 298.15 -8381.39 -8394.51 0.00 2.86 T 0.26 15 14 298.15 -8398.05 -8384.59 -3.33 0.00 T 0.39 16 1 298.15 -8407.23 -8220.70 0.00 -49.71 F 0.00 # exchange 32 1 2 298.15 -8453.42 -8457.71 0.00 -13.04 T 0.31 2 1 298.15 -8445.58 -8441.05 12.95 0.00 T 0.25 3 4 298.15 -8459.35 -8477.82 0.00 -9.99 T 0.19 4 3 298.15 -8467.79 -8449.54 10.19 0.00 T 0.12 5 6 298.15 -8445.49 -8407.41 0.00 -8.18 F 0.19 6 5 298.15 -8400.82 -8437.71 7.79 0.00 F 0.31 7 8 298.15 -8427.65 -8360.53 0.00 -5.89 T 0.19 8 7 298.15 -8354.13 -8421.32 5.53 0.00 T 0.44 9 10 298.15 -8359.19 -8374.77 0.00 -3.56 F 0.31 10 9 298.15 -8372.75 -8355.20 3.08 0.00 F 0.25 11 12 298.15 -8418.43 -8363.25 0.00 -0.17 T 0.44 12 11 298.15 -8362.48 -8417.16 0.20 0.00 T 0.12 13 14 298.15 -8342.39 -8360.31 0.00 2.31 T 0.37 14 13 298.15 -8363.28 -8344.08 -2.16 0.00 T 0.25 15 16 298.15 -8325.26 -8445.34 0.00 4.26 F 0.37 16 15 298.15 -8450.16 -8328.22 -4.80 0.00 F 0.00 # exchange 33 1 16 298.15 -8492.49 -8284.87 -197.16 0.00 F 0.30 2 3 298.15 -8354.60 -8473.09 0.00 -11.98 T 0.30 3 2 298.15 -8460.37 -8342.42 11.69 0.00 T 0.18 4 5 298.15 -8506.39 -8426.81 0.00 -9.21 T 0.18 5 4 298.15 -8418.05 -8497.58 8.55 0.00 T 0.18 6 7 298.15 -8390.81 -8384.81 0.00 -7.07 F 0.30 7 6 298.15 -8379.12 -8383.01 6.61 0.00 F 0.18 8 9 298.15 -8363.29 -8391.36 0.00 -4.01 F 0.42 9 8 298.15 -8387.53 -8356.43 4.31 0.00 F 0.30 10 11 298.15 -8374.78 -8369.57 0.00 -2.01 T 0.30 11 10 298.15 -8367.45 -8372.73 2.06 0.00 T 0.42 12 13 298.15 -8406.52 -8365.58 0.00 0.02 F 0.12 13 12 298.15 -8367.55 -8405.37 -0.41 0.00 F 0.36 14 15 298.15 -8428.87 -8425.97 0.00 2.84 F 0.24 15 14 298.15 -8429.76 -8430.86 -3.35 0.00 F 0.36 16 1 298.15 -8393.33 -8269.75 0.00 -49.74 F 0.00 # exchange 34 1 2 298.15 -8456.44 -8474.35 0.00 -13.07 F 0.29 2 1 298.15 -8462.48 -8441.93 12.92 0.00 F 0.29 3 4 298.15 -8466.87 -8492.12 0.00 -10.02 F 0.18 4 3 298.15 -8481.77 -8455.84 10.20 0.00 F 0.18 5 6 298.15 -8474.91 -8459.37 0.00 -8.19 F 0.18 6 5 298.15 -8452.04 -8466.56 7.77 0.00 F 0.29 7 8 298.15 -8432.55 -8406.84 0.00 -5.63 T 0.24 8 7 298.15 -8401.91 -8428.05 5.51 0.00 T 0.41 9 10 298.15 -8354.61 -8264.73 0.00 -3.56 F 0.29 10 9 298.15 -8262.99 -8351.01 3.05 0.00 F 0.29 11 12 298.15 -8402.01 -8318.75 0.00 -0.20 F 0.41 12 11 298.15 -8318.63 -8400.57 0.20 0.00 F 0.12 13 14 298.15 -8389.59 -8445.27 0.00 2.30 T 0.41 14 13 298.15 -8446.87 -8391.58 -2.11 0.00 T 0.24 15 16 298.15 -8403.38 -8407.07 0.00 4.23 F 0.35 16 15 298.15 -8412.11 -8405.97 -4.81 0.00 F 0.00 # exchange 35 1 16 298.15 -8390.25 -8316.76 -197.19 0.00 F 0.29 2 3 298.15 -8394.69 -8450.68 0.00 -11.84 T 0.34 3 2 298.15 -8439.15 -8383.76 11.69 0.00 T 0.17 4 5 298.15 -8432.15 -8466.53 0.00 -9.22 T 0.23 5 4 298.15 -8455.70 -8422.73 9.30 0.00 T 0.17 6 7 298.15 -8405.40 -8382.02 0.00 -7.09 F 0.29 7 6 298.15 -8377.62 -8397.77 6.58 0.00 F 0.23 8 9 298.15 -8459.60 -8352.39 0.00 -4.00 T 0.46 9 8 298.15 -8349.37 -8455.63 4.28 0.00 T 0.29 10 11 298.15 -8378.56 -8389.95 0.00 -2.03 F 0.29 11 10 298.15 -8388.97 -8375.85 2.03 0.00 F 0.40 12 13 298.15 -8402.42 -8363.49 0.00 0.11 F 0.11 13 12 298.15 -8365.75 -8403.29 -0.45 0.00 F 0.40 14 15 298.15 -8369.26 -8388.50 0.00 2.80 F 0.23 15 14 298.15 -8392.90 -8369.74 -3.38 0.00 F 0.34 16 1 298.15 -8414.80 -8170.74 0.00 -49.78 F 0.00 # exchange 36 1 2 298.15 -8439.38 -8473.69 0.00 -13.09 F 0.28 2 1 298.15 -8463.87 -8425.92 12.88 0.00 F 0.33 3 4 298.15 -8440.44 -8547.10 0.00 -10.05 T 0.22 4 3 298.15 -8537.17 -8429.18 10.19 0.00 T 0.22 5 6 298.15 -8387.65 -8401.58 0.00 -8.20 F 0.17 6 5 298.15 -8394.36 -8379.23 7.75 0.00 F 0.28 7 8 298.15 -8363.21 -8394.63 0.00 -5.66 F 0.22 8 7 298.15 -8389.83 -8356.63 5.49 0.00 F 0.44 9 10 298.15 -8443.73 -8396.68 0.00 -3.59 F 0.28 10 9 298.15 -8395.53 -8439.06 3.02 0.00 F 0.28 11 12 298.15 -8385.87 -8451.55 0.00 -0.24 F 0.39 12 11 298.15 -8452.59 -8383.58 0.17 0.00 F 0.11 13 14 298.15 -8398.34 -8412.04 0.00 2.29 F 0.39 14 13 298.15 -8414.69 -8400.48 -2.13 0.00 F 0.22 15 16 298.15 -8431.02 -8333.05 0.00 4.20 F 0.33 16 15 298.15 -8339.75 -8434.28 -4.84 0.00 F 0.00 # exchange 37 1 16 298.15 -8397.49 -8186.30 -191.36 0.00 F 0.27 2 3 298.15 -8501.97 -8440.25 0.00 -11.87 T 0.38 3 2 298.15 -8427.93 -8489.20 11.74 0.00 T 0.22 4 5 298.15 -8430.36 -8439.20 0.00 -9.22 T 0.27 5 4 298.15 -8430.33 -8421.11 9.29 0.00 T 0.16 6 7 298.15 -8367.64 -8428.32 0.00 -7.12 F 0.27 7 6 298.15 -8423.31 -8359.57 6.55 0.00 F 0.22 8 9 298.15 -8417.83 -8460.53 0.00 -4.01 F 0.43 9 8 298.15 -8457.74 -8413.68 4.25 0.00 F 0.27 10 11 298.15 -8401.47 -8404.50 0.00 -2.04 T 0.32 11 10 298.15 -8403.34 -8399.41 2.01 0.00 T 0.38 12 13 298.15 -8389.39 -8405.77 0.00 0.50 T 0.16 13 12 298.15 -8407.42 -8391.23 -0.47 0.00 T 0.38 14 15 298.15 -8355.97 -8429.56 0.00 2.77 F 0.22 15 14 298.15 -8432.92 -8356.92 -3.38 0.00 F 0.32 16 1 298.15 -8330.80 -8207.88 0.00 -49.81 F 0.00 # exchange 38 1 2 298.15 -8351.59 -8462.13 0.00 -13.09 F 0.26 2 1 298.15 -8449.65 -8338.37 12.87 0.00 F 0.37 3 4 298.15 -8469.80 -8447.43 0.00 -10.07 F 0.21 4 3 298.15 -8437.02 -8458.56 10.21 0.00 F 0.26 5 6 298.15 -8394.83 -8367.77 0.00 -8.23 F 0.16 6 5 298.15 -8361.20 -8384.95 7.72 0.00 F 0.26 7 8 298.15 -8436.06 -8400.67 0.00 -5.64 F 0.21 8 7 298.15 -8395.83 -8430.66 5.47 0.00 F 0.42 9 10 298.15 -8451.94 -8404.95 0.00 -3.57 F 0.26 10 9 298.15 -8403.12 -8448.60 2.99 0.00 F 0.32 11 12 298.15 -8525.04 -8400.51 0.00 -0.25 F 0.37 12 11 298.15 -8400.85 -8524.37 0.15 0.00 F 0.16 13 14 298.15 -8459.70 -8439.48 0.00 2.26 F 0.37 14 13 298.15 -8443.07 -8460.69 -2.16 0.00 F 0.21 15 16 298.15 -8459.00 -8346.42 0.00 4.18 T 0.37 16 15 298.15 -8350.59 -8462.40 -4.78 0.00 T 0.00 # exchange 39 1 16 298.15 -8486.92 -8389.29 -191.39 0.00 F 0.26 2 3 298.15 -8481.12 -8404.70 0.00 -11.86 T 0.41 3 2 298.15 -8393.84 -8469.29 11.72 0.00 T 0.21 4 5 298.15 -8430.23 -8363.11 0.00 -9.23 F 0.26 5 4 298.15 -8355.95 -8420.62 9.26 0.00 F 0.15 6 7 298.15 -8282.95 -8390.07 0.00 -7.12 F 0.26 7 6 298.15 -8383.88 -8275.73 6.53 0.00 F 0.21 8 9 298.15 -8391.79 -8384.86 0.00 -4.04 F 0.41 9 8 298.15 -8382.32 -8385.57 4.22 0.00 F 0.26 10 11 298.15 -8341.03 -8450.29 0.00 -2.05 F 0.31 11 10 298.15 -8449.76 -8338.70 1.98 0.00 F 0.36 12 13 298.15 -8474.01 -8405.57 0.00 0.47 F 0.15 13 12 298.15 -8407.84 -8473.27 -0.50 0.00 F 0.36 14 15 298.15 -8322.49 -8392.68 0.00 2.75 F 0.21 15 14 298.15 -8396.20 -8324.44 -3.39 0.00 F 0.36 16 1 298.15 -8463.92 -8276.18 0.00 -49.84 F 0.00 # exchange 40 1 2 298.15 -8463.69 -8417.09 0.00 -13.12 F 0.25 2 1 298.15 -8403.92 -8448.99 12.89 0.00 F 0.40 3 4 298.15 -8442.33 -8411.25 0.00 -10.08 T 0.25 4 3 298.15 -8399.93 -8432.13 10.35 0.00 T 0.25 5 6 298.15 -8394.65 -8352.17 0.00 -8.25 F 0.15 6 5 298.15 -8345.15 -8385.54 7.70 0.00 F 0.25 7 8 298.15 -8502.49 -8353.46 0.00 -5.67 F 0.20 8 7 298.15 -8349.21 -8495.46 5.44 0.00 F 0.40 9 10 298.15 -8365.60 -8320.85 0.00 -3.54 F 0.25 10 9 298.15 -8318.38 -8362.41 2.97 0.00 F 0.30 11 12 298.15 -8424.39 -8412.79 0.00 -0.25 T 0.40 12 11 298.15 -8412.13 -8424.12 0.19 0.00 T 0.15 13 14 298.15 -8434.44 -8402.13 0.00 2.24 F 0.35 14 13 298.15 -8404.88 -8435.92 -2.17 0.00 F 0.20 15 16 298.15 -8382.41 -8416.44 0.00 4.17 F 0.35 16 15 298.15 -8421.82 -8386.28 -4.80 0.00 F 0.00 # exchange 41 1 16 298.15 -8440.90 -8232.35 -191.42 0.00 F 0.24 2 3 298.15 -8443.06 -8380.65 0.00 -11.86 T 0.44 3 2 298.15 -8369.56 -8431.22 11.70 0.00 T 0.24 4 5 298.15 -8462.37 -8428.26 0.00 -9.22 T 0.29 5 4 298.15 -8418.61 -8453.37 9.28 0.00 T 0.15 6 7 298.15 -8417.08 -8351.73 0.00 -7.13 T 0.29 7 6 298.15 -8346.11 -8409.84 6.51 0.00 T 0.20 8 9 298.15 -8416.44 -8392.33 0.00 -4.01 T 0.44 9 8 298.15 -8388.74 -8412.79 4.21 0.00 T 0.24 10 11 298.15 -8327.71 -8416.43 0.00 -2.04 F 0.29 11 10 298.15 -8416.11 -8325.85 1.95 0.00 F 0.39 12 13 298.15 -8393.73 -8332.45 0.00 0.47 F 0.15 13 12 298.15 -8334.02 -8394.13 -0.53 0.00 F 0.34 14 15 298.15 -8404.57 -8400.53 0.00 2.75 T 0.24 15 14 298.15 -8403.30 -8407.33 -3.34 0.00 T 0.34 16 1 298.15 -8336.66 -8225.12 0.00 -49.87 F 0.00 # exchange 42 1 2 298.15 -8459.97 -8511.20 0.00 -13.14 F 0.24 2 1 298.15 -8499.33 -8446.21 12.86 0.00 F 0.43 3 4 298.15 -8438.59 -8387.09 0.00 -10.11 F 0.24 4 3 298.15 -8376.93 -8425.21 10.34 0.00 F 0.29 5 6 298.15 -8422.17 -8416.75 0.00 -8.25 F 0.14 6 5 298.15 -8409.52 -8414.00 7.69 0.00 F 0.29 7 8 298.15 -8419.91 -8399.33 0.00 -5.67 F 0.19 8 7 298.15 -8394.87 -8414.23 5.42 0.00 F 0.43 9 10 298.15 -8382.71 -8397.91 0.00 -3.56 F 0.24 10 9 298.15 -8395.99 -8378.60 2.95 0.00 F 0.29 11 12 298.15 -8448.56 -8397.02 0.00 -0.28 F 0.38 12 11 298.15 -8397.27 -8446.49 0.17 0.00 F 0.14 13 14 298.15 -8259.09 -8365.82 0.00 2.22 F 0.33 14 13 298.15 -8367.65 -8260.42 -2.15 0.00 F 0.24 15 16 298.15 -8452.17 -8419.61 0.00 4.19 F 0.33 16 15 298.15 -8425.23 -8456.71 -4.82 0.00 F 0.00 # exchange 43 1 16 298.15 -8373.07 -8282.19 -191.45 0.00 F 0.23 2 3 298.15 -8431.51 -8438.96 0.00 -11.87 F 0.42 3 2 298.15 -8427.86 -8419.41 11.68 0.00 F 0.23 4 5 298.15 -8412.77 -8410.19 0.00 -9.13 T 0.33 5 4 298.15 -8401.57 -8404.43 9.26 0.00 T 0.14 6 7 298.15 -8442.52 -8399.42 0.00 -7.15 F 0.28 7 6 298.15 -8394.58 -8434.64 6.49 0.00 F 0.19 8 9 298.15 -8429.56 -8351.19 0.00 -4.03 F 0.42 9 8 298.15 -8348.43 -8424.78 4.18 0.00 F 0.23 10 11 298.15 -8391.68 -8385.68 0.00 -2.05 F 0.28 11 10 298.15 -8384.30 -8389.38 1.93 0.00 F 0.37 12 13 298.15 -8334.63 -8370.01 0.00 0.47 F 0.14 13 12 298.15 -8371.03 -8335.03 -0.54 0.00 F 0.33 14 15 298.15 -8393.76 -8400.43 0.00 2.74 T 0.28 15 14 298.15 -8405.19 -8396.20 -3.36 0.00 T 0.33 16 1 298.15 -8361.19 -8151.10 0.00 -49.90 F 0.00 # exchange 44 1 2 298.15 -8412.68 -8531.34 0.00 -12.92 T 0.27 2 1 298.15 -8518.24 -8400.95 12.88 0.00 T 0.41 3 4 298.15 -8396.29 -8441.98 0.00 -10.13 F 0.23 4 3 298.15 -8432.13 -8385.41 10.33 0.00 F 0.32 5 6 298.15 -8472.84 -8460.13 0.00 -8.25 T 0.18 6 5 298.15 -8451.81 -8464.46 7.74 0.00 T 0.27 7 8 298.15 -8365.15 -8414.43 0.00 -5.69 F 0.18 8 7 298.15 -8410.43 -8357.55 5.39 0.00 F 0.41 9 10 298.15 -8440.44 -8359.49 0.00 -3.58 F 0.23 10 9 298.15 -8356.26 -8436.16 2.96 0.00 F 0.27 11 12 298.15 -8405.56 -8328.69 0.00 -0.31 F 0.36 12 11 298.15 -8330.68 -8403.99 0.15 0.00 F 0.14 13 14 298.15 -8398.56 -8373.91 0.00 2.20 F 0.32 14 13 298.15 -8376.40 -8399.97 -2.16 0.00 F 0.27 15 16 298.15 -8397.86 -8387.30 0.00 4.19 F 0.32 16 15 298.15 -8392.18 -8401.91 -4.82 0.00 F 0.00 # exchange 45 1 16 298.15 -8480.25 -8324.22 -191.47 0.00 F 0.27 2 3 298.15 -8436.15 -8452.35 0.00 -11.87 F 0.40 3 2 298.15 -8441.42 -8424.35 11.66 0.00 F 0.22 4 5 298.15 -8428.41 -8387.31 0.00 -9.09 T 0.36 5 4 298.15 -8379.68 -8419.86 9.24 0.00 T 0.18 6 7 298.15 -8415.70 -8434.92 0.00 -7.14 F 0.27 7 6 298.15 -8430.96 -8408.74 6.46 0.00 F 0.18 8 9 298.15 -8402.84 -8508.13 0.00 -3.99 T 0.44 9 8 298.15 -8503.94 -8399.38 4.18 0.00 T 0.22 10 11 298.15 -8380.56 -8392.48 0.00 -2.06 F 0.27 11 10 298.15 -8391.72 -8378.06 1.91 0.00 F 0.36 12 13 298.15 -8408.08 -8390.25 0.00 0.46 F 0.13 13 12 298.15 -8393.11 -8408.45 -0.57 0.00 F 0.31 14 15 298.15 -8321.19 -8378.87 0.00 2.73 F 0.27 15 14 298.15 -8382.45 -8323.49 -3.37 0.00 F 0.31 16 1 298.15 -8405.62 -8286.83 0.00 -49.92 F 0.00 # exchange 46 1 2 298.15 -8497.57 -8414.10 0.00 -12.87 T 0.30 2 1 298.15 -8401.60 -8485.35 12.87 0.00 T 0.39 3 4 298.15 -8463.01 -8469.92 0.00 -10.01 T 0.26 4 3 298.15 -8460.98 -8453.97 10.30 0.00 T 0.35 5 6 298.15 -8454.76 -8405.81 0.00 -8.27 F 0.17 6 5 298.15 -8398.00 -8445.76 7.74 0.00 F 0.26 7 8 298.15 -8389.24 -8368.82 0.00 -5.65 T 0.22 8 7 298.15 -8364.62 -8384.14 5.37 0.00 T 0.43 9 10 298.15 -8394.54 -8384.41 0.00 -3.59 F 0.22 10 9 298.15 -8382.22 -8390.62 2.94 0.00 F 0.26 11 12 298.15 -8368.23 -8391.51 0.00 -0.32 F 0.35 12 11 298.15 -8393.23 -8367.15 0.12 0.00 F 0.13 13 14 298.15 -8471.49 -8372.93 0.00 2.27 T 0.35 14 13 298.15 -8375.20 -8474.50 -2.17 0.00 T 0.26 15 16 298.15 -8341.09 -8356.92 0.00 4.20 T 0.35 16 15 298.15 -8361.17 -8345.57 -4.78 0.00 T 0.00 # exchange 47 1 16 298.15 -8494.11 -8307.62 -191.50 0.00 F 0.30 2 3 298.15 -8517.13 -8436.86 0.00 -11.86 F 0.38 3 2 298.15 -8427.40 -8505.50 11.64 0.00 F 0.26 4 5 298.15 -8433.98 -8402.57 0.00 -9.09 T 0.38 5 4 298.15 -8393.26 -8424.86 9.24 0.00 T 0.17 6 7 298.15 -8376.71 -8452.02 0.00 -7.16 F 0.26 7 6 298.15 -8446.96 -8368.79 6.44 0.00 F 0.21 8 9 298.15 -8400.56 -8371.28 0.00 -4.01 F 0.43 9 8 298.15 -8368.07 -8395.53 4.16 0.00 F 0.21 10 11 298.15 -8395.33 -8377.79 0.00 -2.04 T 0.30 11 10 298.15 -8375.83 -8393.69 1.91 0.00 T 0.34 12 13 298.15 -8402.60 -8393.27 0.00 0.68 T 0.17 13 12 298.15 -8393.27 -8404.50 -0.53 0.00 T 0.34 14 15 298.15 -8464.26 -8373.31 0.00 2.71 F 0.26 15 14 298.15 -8376.80 -8466.21 -3.37 0.00 F 0.34 16 1 298.15 -8410.45 -8279.26 0.00 -49.95 F 0.00 # exchange 48 1 2 298.15 -8441.16 -8457.66 0.00 -12.89 F 0.29 2 1 298.15 -8445.48 -8426.96 12.85 0.00 F 0.37 3 4 298.15 -8430.98 -8396.36 0.00 -10.03 F 0.25 4 3 298.15 -8387.45 -8419.00 10.28 0.00 F 0.37 5 6 298.15 -8401.21 -8436.87 0.00 -8.27 F 0.17 6 5 298.15 -8429.69 -8392.83 7.73 0.00 F 0.25 7 8 298.15 -8364.13 -8377.91 0.00 -5.67 F 0.21 8 7 298.15 -8373.37 -8357.79 5.35 0.00 F 0.42 9 10 298.15 -8299.51 -8379.97 0.00 -3.57 F 0.21 10 9 298.15 -8377.91 -8296.29 2.93 0.00 F 0.29 11 12 298.15 -8301.74 -8435.97 0.00 -0.34 F 0.33 12 11 298.15 -8436.24 -8300.61 0.11 0.00 F 0.17 13 14 298.15 -8411.70 -8386.50 0.00 2.24 F 0.33 14 13 298.15 -8389.14 -8412.66 -2.18 0.00 F 0.25 15 16 298.15 -8435.55 -8383.78 0.00 4.19 F 0.33 16 15 298.15 -8388.70 -8439.46 -4.79 0.00 F 0.00 # exchange 49 1 16 298.15 -8442.73 -8275.05 -191.52 0.00 F 0.29 2 3 298.15 -8428.52 -8503.43 0.00 -11.86 T 0.41 3 2 298.15 -8492.29 -8416.72 11.63 0.00 T 0.24 4 5 298.15 -8411.43 -8390.32 0.00 -9.12 F 0.37 5 4 298.15 -8380.86 -8400.50 9.25 0.00 F 0.16 6 7 298.15 -8366.25 -8364.34 0.00 -7.18 F 0.24 7 6 298.15 -8358.71 -8356.96 6.42 0.00 F 0.20 8 9 298.15 -8323.02 -8442.06 0.00 -4.03 T 0.45 9 8 298.15 -8437.69 -8318.50 4.17 0.00 T 0.20 10 11 298.15 -8430.10 -8379.29 0.00 -2.03 F 0.29 11 10 298.15 -8379.07 -8428.27 1.89 0.00 F 0.33 12 13 298.15 -8393.50 -8385.94 0.00 0.68 F 0.16 13 12 298.15 -8388.04 -8394.36 -0.55 0.00 F 0.33 14 15 298.15 -8391.56 -8407.08 0.00 2.72 T 0.29 15 14 298.15 -8410.63 -8394.55 -3.38 0.00 T 0.33 16 1 298.15 -8389.95 -8210.65 0.00 -49.97 F 0.00 # exchange 50 1 2 298.15 -8492.15 -8424.92 0.00 -12.88 T 0.32 2 1 298.15 -8411.68 -8479.52 12.87 0.00 T 0.40 3 4 298.15 -8418.02 -8434.57 0.00 -10.05 F 0.24 4 3 298.15 -8424.69 -8405.95 10.27 0.00 F 0.36 5 6 298.15 -8357.35 -8412.95 0.00 -8.26 F 0.16 6 5 298.15 -8405.30 -8349.30 7.72 0.00 F 0.24 7 8 298.15 -8398.77 -8449.54 0.00 -5.67 F 0.20 8 7 298.15 -8445.60 -8393.17 5.33 0.00 F 0.44 9 10 298.15 -8326.59 -8368.79 0.00 -3.57 F 0.20 10 9 298.15 -8366.01 -8323.15 2.92 0.00 F 0.28 11 12 298.15 -8383.93 -8398.67 0.00 -0.37 T 0.36 12 11 298.15 -8397.44 -8381.92 0.23 0.00 T 0.16 13 14 298.15 -8465.69 -8341.91 0.00 2.22 F 0.32 14 13 298.15 -8345.62 -8465.62 -2.21 0.00 F 0.28 15 16 298.15 -8437.93 -8458.31 0.00 4.18 F 0.32 16 15 298.15 -8463.48 -8441.62 -4.80 0.00 F 0.00