# 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 -8432.41 -8363.75 -138.84 0.00 F 0.00 2 3 298.15 -8445.96 -8518.17 0.00 -12.75 F 0.00 3 2 298.15 -8506.88 -8433.20 11.29 0.00 F 0.00 4 5 298.15 -8459.52 -8410.22 0.00 -3.65 F 0.00 5 4 298.15 -8407.08 -8455.87 3.14 0.00 F 0.00 6 7 298.15 -8405.94 -8377.69 0.00 -5.83 F 0.00 7 6 298.15 -8372.70 -8400.11 4.98 0.00 F 0.00 8 9 298.15 -8385.62 -8390.57 0.00 -2.98 F 0.00 9 8 298.15 -8388.91 -8382.63 1.66 0.00 F 0.00 10 11 298.15 -8399.78 -8433.78 0.00 -10.99 F 0.00 11 10 298.15 -8424.14 -8388.79 9.64 0.00 F 0.00 12 13 298.15 -8426.34 -8331.14 0.00 7.72 F 0.00 13 12 298.15 -8340.46 -8434.06 -9.32 0.00 F 0.00 14 15 298.15 -8382.02 -8415.14 0.00 3.32 F 0.00 15 14 298.15 -8420.47 -8385.34 -5.33 0.00 F 0.00 16 1 298.15 -8375.61 -8293.57 0.00 -11.86 F 0.00 # exchange 2 1 2 298.15 -8396.78 -8526.95 0.00 -8.15 F 0.00 2 1 298.15 -8519.37 -8388.64 7.58 0.00 F 0.00 3 4 298.15 -8403.27 -8408.98 0.00 -11.40 T 1.00 4 3 298.15 -8397.86 -8391.87 11.12 0.00 T 0.00 5 6 298.15 -8501.94 -8407.64 0.00 -12.71 F 0.00 6 5 298.15 -8395.46 -8489.23 12.18 0.00 F 0.00 7 8 298.15 -8423.67 -8431.93 0.00 -4.84 T 1.00 8 7 298.15 -8427.29 -8418.83 4.64 0.00 T 0.00 9 10 298.15 -8454.02 -8404.71 0.00 -12.80 T 1.00 10 9 298.15 -8393.15 -8441.22 11.55 0.00 T 0.00 11 12 298.15 -8354.10 -8359.95 0.00 -1.23 T 1.00 12 11 298.15 -8358.35 -8352.87 1.60 0.00 T 0.00 13 14 298.15 -8344.97 -8411.23 0.00 2.64 F 0.00 14 13 298.15 -8414.72 -8347.60 -3.49 0.00 F 0.00 15 16 298.15 -8393.45 -8327.04 0.00 5.97 T 1.00 16 15 298.15 -8333.07 -8399.42 -6.03 0.00 T 0.00 # exchange 3 1 16 298.15 -8466.54 -8407.99 -139.24 0.00 F 0.00 2 3 298.15 -8486.23 -8492.73 0.00 -12.41 F 0.00 3 2 298.15 -8481.68 -8474.03 11.19 0.00 F 0.67 4 5 298.15 -8408.05 -8443.72 0.00 -4.06 F 0.00 5 4 298.15 -8431.18 -8393.91 12.14 0.00 F 0.00 6 7 298.15 -8364.09 -8325.79 0.00 -6.09 T 0.67 7 6 298.15 -8318.70 -8357.54 6.69 0.00 T 0.67 8 9 298.15 -8430.05 -8434.65 0.00 -3.36 F 0.00 9 8 298.15 -8431.68 -8425.43 2.63 0.00 F 0.67 10 11 298.15 -8442.53 -8458.70 0.00 2.36 F 0.00 11 10 298.15 -8463.00 -8445.30 9.23 0.00 F 0.67 12 13 298.15 -8360.95 -8406.73 0.00 7.31 F 0.00 13 12 298.15 -8408.30 -8362.37 -1.98 0.00 F 0.00 14 15 298.15 -8376.03 -8412.50 0.00 5.33 F 0.00 15 14 298.15 -8418.68 -8381.76 -5.61 0.00 F 0.67 16 1 298.15 -8420.79 -8325.42 0.00 -12.16 F 0.00 # exchange 4 1 2 298.15 -8441.52 -8483.89 0.00 -8.55 T 0.50 2 1 298.15 -8472.80 -8430.72 10.68 0.00 T 0.00 3 4 298.15 -8448.29 -8394.00 0.00 -10.78 F 0.50 4 3 298.15 -8385.13 -8437.81 10.73 0.00 F 0.00 5 6 298.15 -8414.99 -8430.36 0.00 -13.08 T 0.50 6 5 298.15 -8416.61 -8400.76 13.38 0.00 T 0.50 7 8 298.15 -8386.58 -8430.71 0.00 -5.25 T 1.00 8 7 298.15 -8422.22 -8378.25 8.08 0.00 T 0.00 9 10 298.15 -8387.64 -8387.32 0.00 0.84 F 0.50 10 9 298.15 -8388.94 -8388.90 11.14 0.00 F 0.00 11 12 298.15 -8400.37 -8388.87 0.00 -1.64 F 0.50 12 11 298.15 -8384.85 -8395.44 3.62 0.00 F 0.00 13 14 298.15 -8337.97 -8458.62 0.00 2.23 T 0.50 14 13 298.15 -8458.81 -8338.03 -0.60 0.00 T 0.00 15 16 298.15 -8374.33 -8453.75 0.00 15.18 F 0.50 16 15 298.15 -8471.30 -8389.92 -6.44 0.00 F 0.00 # exchange 5 1 16 298.15 -8464.65 -8367.40 -139.48 0.00 F 0.40 2 3 298.15 -8418.85 -8470.95 0.00 -12.63 T 0.40 3 2 298.15 -8456.81 -8404.90 13.50 0.00 T 0.40 4 5 298.15 -8406.19 -8338.00 0.00 -4.25 F 0.00 5 4 298.15 -8333.45 -8401.11 11.90 0.00 F 0.40 6 7 298.15 -8417.90 -8426.71 0.00 -4.63 F 0.40 7 6 298.15 -8423.66 -8413.88 6.45 0.00 F 0.80 8 9 298.15 -8363.83 -8388.36 0.00 -3.48 F 0.00 9 8 298.15 -8385.71 -8360.01 2.64 0.00 F 0.40 10 11 298.15 -8375.80 -8312.42 0.00 2.12 F 0.00 11 10 298.15 -8304.77 -8366.91 9.01 0.00 F 0.40 12 13 298.15 -8247.02 -8420.94 0.00 7.07 F 0.00 13 12 298.15 -8423.51 -8248.38 -2.12 0.00 F 0.40 14 15 298.15 -8332.51 -8393.41 0.00 7.62 T 0.40 15 14 298.15 -8402.35 -8340.77 -5.85 0.00 T 0.40 16 1 298.15 -8363.22 -8305.54 0.00 3.53 F 0.00 # exchange 6 1 2 298.15 -8484.68 -8424.69 0.00 -8.79 F 0.33 2 1 298.15 -8409.66 -8468.24 14.38 0.00 F 0.33 3 4 298.15 -8373.31 -8389.23 0.00 -10.99 F 0.33 4 3 298.15 -8377.72 -8361.21 11.11 0.00 F 0.00 5 6 298.15 -8395.26 -8496.93 0.00 -11.16 F 0.33 6 5 298.15 -8487.18 -8384.74 13.14 0.00 F 0.33 7 8 298.15 -8361.60 -8444.82 0.00 -5.38 F 0.67 8 7 298.15 -8440.14 -8355.82 7.85 0.00 F 0.00 9 10 298.15 -8460.68 -8376.00 0.00 0.60 F 0.33 10 9 298.15 -8363.14 -8446.75 12.27 0.00 F 0.00 11 12 298.15 -8326.29 -8351.56 0.00 3.35 T 0.67 12 11 298.15 -8356.00 -8330.28 3.38 0.00 T 0.00 13 14 298.15 -8320.01 -8457.91 0.00 3.23 F 0.33 14 13 298.15 -8463.01 -8323.81 -0.84 0.00 F 0.33 15 16 298.15 -8370.53 -8377.83 0.00 14.94 F 0.33 16 15 298.15 -8384.53 -8375.49 -6.51 0.00 F 0.00 # exchange 7 1 16 298.15 -8475.77 -8401.61 -133.72 0.00 F 0.29 2 3 298.15 -8441.68 -8430.77 0.00 -12.68 F 0.29 3 2 298.15 -8419.06 -8428.81 13.34 0.00 F 0.29 4 5 298.15 -8371.28 -8426.13 0.00 -4.42 F 0.00 5 4 298.15 -8418.31 -8361.95 11.73 0.00 F 0.29 6 7 298.15 -8445.65 -8440.67 0.00 -4.80 F 0.29 7 6 298.15 -8429.10 -8432.94 10.75 0.00 F 0.57 8 9 298.15 -8447.15 -8330.90 0.00 -3.46 F 0.00 9 8 298.15 -8328.22 -8443.75 2.65 0.00 F 0.29 10 11 298.15 -8416.80 -8303.78 0.00 1.95 T 0.29 11 10 298.15 -8298.92 -8411.77 8.84 0.00 T 0.57 12 13 298.15 -8380.21 -8382.64 0.00 6.90 F 0.00 13 12 298.15 -8381.37 -8378.44 0.45 0.00 F 0.29 14 15 298.15 -8451.86 -8458.41 0.00 7.44 F 0.29 15 14 298.15 -8458.37 -8451.19 -0.79 0.00 F 0.29 16 1 298.15 -8415.02 -8342.87 0.00 3.36 F 0.00 # exchange 8 1 2 298.15 -8440.09 -8443.41 0.00 -7.99 F 0.25 2 1 298.15 -8437.52 -8432.79 14.21 0.00 F 0.25 3 4 298.15 -8476.62 -8445.89 0.00 -10.70 F 0.25 4 3 298.15 -8436.83 -8466.37 10.95 0.00 F 0.00 5 6 298.15 -8406.29 -8440.20 0.00 -5.29 T 0.50 6 5 298.15 -8435.80 -8401.83 12.97 0.00 T 0.25 7 8 298.15 -8395.28 -8375.45 0.00 -5.42 F 0.50 8 7 298.15 -8370.97 -8389.72 7.68 0.00 F 0.00 9 10 298.15 -8392.88 -8292.71 0.00 0.43 T 0.50 10 9 298.15 -8288.34 -8388.32 12.10 0.00 T 0.25 11 12 298.15 -8381.21 -8391.30 0.00 3.41 T 0.75 12 11 298.15 -8394.79 -8384.77 3.21 0.00 T 0.00 13 14 298.15 -8451.61 -8467.79 0.00 6.47 F 0.25 14 13 298.15 -8475.99 -8458.90 -1.01 0.00 F 0.25 15 16 298.15 -8354.99 -8377.38 0.00 14.77 F 0.25 16 15 298.15 -8372.21 -8347.72 4.36 0.00 F 0.00 # exchange 9 1 16 298.15 -8428.25 -8396.47 -130.38 0.00 F 0.22 2 3 298.15 -8407.43 -8383.35 0.00 -12.82 F 0.22 3 2 298.15 -8367.39 -8390.77 15.03 0.00 F 0.22 4 5 298.15 -8375.21 -8402.85 0.00 -4.55 T 0.22 5 4 298.15 -8392.83 -8365.37 11.60 0.00 T 0.44 6 7 298.15 -8459.36 -8392.81 0.00 -4.93 T 0.44 7 6 298.15 -8379.61 -8446.20 12.29 0.00 T 0.44 8 9 298.15 -8395.08 -8396.28 0.00 -3.59 F 0.00 9 8 298.15 -8390.75 -8388.23 4.59 0.00 F 0.44 10 11 298.15 -8254.21 -8386.53 0.00 8.11 F 0.22 11 10 298.15 -8396.52 -8263.28 8.71 0.00 F 0.67 12 13 298.15 -8366.81 -8404.88 0.00 6.78 T 0.22 13 12 298.15 -8410.05 -8372.21 0.32 0.00 T 0.22 14 15 298.15 -8395.89 -8403.43 0.00 11.33 T 0.44 15 14 298.15 -8415.76 -8408.17 -0.92 0.00 T 0.22 16 1 298.15 -8413.99 -8298.83 0.00 3.23 F 0.00 # exchange 10 1 2 298.15 -8411.03 -8459.06 0.00 -8.12 F 0.20 2 1 298.15 -8441.36 -8392.20 16.76 0.00 F 0.20 3 4 298.15 -8445.99 -8484.17 0.00 -10.84 F 0.20 4 3 298.15 -8469.63 -8430.25 13.60 0.00 F 0.20 5 6 298.15 -8405.32 -8442.89 0.00 -5.42 F 0.40 6 5 298.15 -8431.94 -8393.00 12.84 0.00 F 0.40 7 8 298.15 -8414.10 -8431.63 0.00 -5.54 F 0.40 8 7 298.15 -8426.01 -8407.18 7.55 0.00 F 0.00 9 10 298.15 -8396.78 -8401.62 0.00 0.33 T 0.60 10 9 298.15 -8401.04 -8396.16 11.96 0.00 T 0.20 11 12 298.15 -8458.47 -8402.66 0.00 3.28 T 0.80 12 11 298.15 -8400.92 -8456.03 3.09 0.00 T 0.20 13 14 298.15 -8367.53 -8444.44 0.00 6.34 T 0.40 14 13 298.15 -8444.56 -8368.42 -0.69 0.00 T 0.40 15 16 298.15 -8405.22 -8467.06 0.00 14.64 F 0.20 16 15 298.15 -8478.47 -8416.45 4.22 0.00 F 0.00 # exchange 11 1 16 298.15 -8447.78 -8433.34 -130.49 0.00 F 0.18 2 3 298.15 -8409.31 -8518.43 0.00 -12.87 T 0.36 3 2 298.15 -8505.12 -8396.05 14.93 0.00 T 0.18 4 5 298.15 -8494.37 -8446.80 0.00 -4.66 T 0.36 5 4 298.15 -8431.97 -8479.34 13.78 0.00 T 0.36 6 7 298.15 -8331.57 -8399.27 0.00 -4.02 T 0.55 7 6 298.15 -8397.16 -8328.50 12.18 0.00 T 0.36 8 9 298.15 -8420.11 -8305.42 0.00 -3.69 F 0.00 9 8 298.15 -8298.55 -8412.84 5.87 0.00 F 0.55 10 11 298.15 -8328.59 -8400.48 0.00 8.00 T 0.36 11 10 298.15 -8389.41 -8316.88 10.06 0.00 T 0.73 12 13 298.15 -8362.58 -8375.60 0.00 6.67 F 0.18 13 12 298.15 -8368.80 -8355.02 5.74 0.00 F 0.36 14 15 298.15 -8377.46 -8378.30 0.00 11.22 F 0.36 15 14 298.15 -8378.68 -8376.90 -0.79 0.00 F 0.18 16 1 298.15 -8420.67 -8296.84 0.00 11.61 F 0.00 # exchange 12 1 2 298.15 -8469.96 -8528.97 0.00 -8.23 T 0.33 2 1 298.15 -8515.24 -8455.85 16.65 0.00 T 0.33 3 4 298.15 -8394.65 -8390.00 0.00 -9.95 F 0.17 4 3 298.15 -8381.62 -8385.64 13.49 0.00 F 0.33 5 6 298.15 -8499.83 -8412.75 0.00 -5.53 F 0.33 6 5 298.15 -8400.59 -8485.93 12.77 0.00 F 0.50 7 8 298.15 -8459.51 -8374.63 0.00 -2.53 T 0.50 8 7 298.15 -8373.55 -8458.05 7.44 0.00 T 0.00 9 10 298.15 -8390.18 -8366.31 0.00 0.67 T 0.67 10 9 298.15 -8367.70 -8391.54 11.86 0.00 T 0.33 11 12 298.15 -8386.92 -8433.40 0.00 6.43 F 0.67 12 11 298.15 -8441.47 -8394.41 2.99 0.00 F 0.17 13 14 298.15 -8351.69 -8379.48 0.00 6.23 F 0.33 14 13 298.15 -8380.38 -8352.19 -0.72 0.00 F 0.33 15 16 298.15 -8385.83 -8464.35 0.00 14.53 F 0.17 16 15 298.15 -8466.48 -8386.16 4.12 0.00 F 0.00 # exchange 13 1 16 298.15 -8531.60 -8360.48 -130.57 0.00 F 0.31 2 3 298.15 -8422.89 -8433.25 0.00 -8.22 F 0.31 3 2 298.15 -8427.90 -8415.82 14.84 0.00 F 0.15 4 5 298.15 -8464.29 -8430.76 0.00 -4.75 F 0.31 5 4 298.15 -8416.98 -8449.62 13.78 0.00 F 0.31 6 7 298.15 -8362.07 -8366.01 0.00 -4.11 T 0.62 7 6 298.15 -8350.96 -8346.96 13.92 0.00 T 0.46 8 9 298.15 -8450.69 -8419.09 0.00 5.20 F 0.00 9 8 298.15 -8426.33 -8457.04 5.78 0.00 F 0.62 10 11 298.15 -8422.56 -8391.21 0.00 7.91 T 0.46 11 10 298.15 -8383.17 -8413.70 9.97 0.00 T 0.62 12 13 298.15 -8407.22 -8404.35 0.00 7.54 F 0.15 13 12 298.15 -8413.47 -8415.78 5.65 0.00 F 0.31 14 15 298.15 -8382.73 -8374.37 0.00 11.13 T 0.46 15 14 298.15 -8372.68 -8379.99 0.59 0.00 T 0.15 16 1 298.15 -8381.63 -8399.87 0.00 11.52 F 0.00 # exchange 14 1 2 298.15 -8470.98 -8457.32 0.00 -8.32 T 0.43 2 1 298.15 -8443.07 -8456.71 16.56 0.00 T 0.29 3 4 298.15 -8498.22 -8440.83 0.00 -10.05 T 0.29 4 3 298.15 -8424.86 -8482.51 14.87 0.00 T 0.29 5 6 298.15 -8445.57 -8394.60 0.00 -5.62 F 0.29 6 5 298.15 -8381.74 -8430.66 12.79 0.00 F 0.57 7 8 298.15 -8288.92 -8430.71 0.00 3.24 F 0.43 8 7 298.15 -8437.39 -8293.31 7.35 0.00 F 0.00 9 10 298.15 -8418.76 -8424.46 0.00 0.58 T 0.71 10 9 298.15 -8414.79 -8408.53 11.77 0.00 T 0.43 11 12 298.15 -8329.02 -8490.36 0.00 6.34 T 0.71 12 11 298.15 -8492.60 -8331.04 2.89 0.00 T 0.14 13 14 298.15 -8352.70 -8332.36 0.00 6.84 T 0.43 14 13 298.15 -8341.96 -8360.47 -0.81 0.00 T 0.43 15 16 298.15 -8412.81 -8351.43 0.00 14.44 F 0.14 16 15 298.15 -8342.59 -8403.23 7.69 0.00 F 0.00 # exchange 15 1 16 298.15 -8397.00 -8336.89 -130.64 0.00 F 0.40 2 3 298.15 -8505.75 -8470.92 0.00 -8.29 T 0.40 3 2 298.15 -8454.63 -8490.03 15.34 0.00 T 0.27 4 5 298.15 -8381.33 -8401.13 0.00 -4.83 F 0.27 5 4 298.15 -8393.50 -8372.49 13.70 0.00 F 0.27 6 7 298.15 -8377.16 -8452.72 0.00 -1.64 T 0.67 7 6 298.15 -8453.23 -8376.74 13.84 0.00 T 0.40 8 9 298.15 -8438.83 -8412.85 0.00 5.13 F 0.00 9 8 298.15 -8404.14 -8429.20 7.50 0.00 F 0.67 10 11 298.15 -8384.12 -8478.18 0.00 7.83 F 0.40 11 10 298.15 -8480.63 -8385.92 9.89 0.00 F 0.67 12 13 298.15 -8393.08 -8428.44 0.00 7.47 T 0.27 13 12 298.15 -8431.25 -8394.78 5.57 0.00 T 0.40 14 15 298.15 -8381.56 -8383.64 0.00 11.05 F 0.40 15 14 298.15 -8380.86 -8378.25 1.64 0.00 F 0.13 16 1 298.15 -8326.93 -8241.50 0.00 11.45 F 0.00 # exchange 16 1 2 298.15 -8506.37 -8432.19 0.00 -8.40 F 0.38 2 1 298.15 -8400.28 -8473.92 30.68 0.00 F 0.38 3 4 298.15 -8392.74 -8398.95 0.00 -9.73 F 0.25 4 3 298.15 -8391.12 -8383.82 14.79 0.00 F 0.25 5 6 298.15 -8449.96 -8402.23 0.00 -5.70 F 0.25 6 5 298.15 -8390.02 -8436.59 12.74 0.00 F 0.62 7 8 298.15 -8414.44 -8354.62 0.00 3.16 F 0.38 8 7 298.15 -8357.56 -8415.30 7.27 0.00 F 0.00 9 10 298.15 -8394.98 -8395.40 0.00 0.50 F 0.62 10 9 298.15 -8392.40 -8390.80 11.69 0.00 F 0.38 11 12 298.15 -8389.00 -8475.42 0.00 6.26 F 0.62 12 11 298.15 -8481.32 -8393.35 2.81 0.00 F 0.25 13 14 298.15 -8376.41 -8406.14 0.00 6.76 F 0.38 14 13 298.15 -8407.49 -8377.05 -0.86 0.00 F 0.38 15 16 298.15 -8470.47 -8404.74 0.00 14.36 F 0.12 16 15 298.15 -8415.13 -8478.85 7.61 0.00 F 0.00 # exchange 17 1 16 298.15 -8496.13 -8443.12 -130.71 0.00 F 0.35 2 3 298.15 -8406.75 -8375.60 0.00 -8.36 F 0.35 3 2 298.15 -8365.33 -8395.58 15.27 0.00 F 0.24 4 5 298.15 -8374.69 -8409.84 0.00 -4.90 F 0.24 5 4 298.15 -8398.52 -8362.05 13.63 0.00 F 0.24 6 7 298.15 -8393.72 -8399.15 0.00 -1.71 T 0.71 7 6 298.15 -8388.09 -8382.52 13.77 0.00 T 0.35 8 9 298.15 -8387.56 -8461.54 0.00 5.06 F 0.00 9 8 298.15 -8450.87 -8375.57 9.39 0.00 F 0.59 10 11 298.15 -8369.08 -8426.36 0.00 7.76 T 0.47 11 10 298.15 -8416.13 -8358.95 9.94 0.00 T 0.59 12 13 298.15 -8378.18 -8316.69 0.00 7.40 T 0.35 13 12 298.15 -8319.37 -8380.62 5.50 0.00 T 0.35 14 15 298.15 -8289.27 -8367.51 0.00 10.98 F 0.35 15 14 298.15 -8361.87 -8282.68 4.34 0.00 F 0.12 16 1 298.15 -8441.60 -8338.71 0.00 11.38 F 0.00 # exchange 18 1 2 298.15 -8468.76 -8419.45 0.00 -8.47 T 0.44 2 1 298.15 -8401.15 -8451.13 30.61 0.00 T 0.33 3 4 298.15 -8405.86 -8455.47 0.00 -3.18 F 0.22 4 3 298.15 -8453.81 -8403.98 14.72 0.00 F 0.22 5 6 298.15 -8432.84 -8471.11 0.00 -5.77 T 0.33 6 5 298.15 -8458.90 -8422.01 12.70 0.00 T 0.67 7 8 298.15 -8360.55 -8401.68 0.00 3.09 F 0.33 8 7 298.15 -8392.21 -8349.85 8.27 0.00 F 0.00 9 10 298.15 -8438.23 -8375.66 0.00 0.43 T 0.67 10 9 298.15 -8368.69 -8431.75 11.62 0.00 T 0.44 11 12 298.15 -8332.82 -8421.95 0.00 6.19 T 0.67 12 11 298.15 -8417.10 -8327.85 3.68 0.00 T 0.33 13 14 298.15 -8383.90 -8359.56 0.00 6.69 F 0.33 14 13 298.15 -8364.82 -8388.14 -0.93 0.00 F 0.33 15 16 298.15 -8412.17 -8383.10 0.00 14.29 F 0.11 16 15 298.15 -8383.03 -8411.62 7.54 0.00 F 0.00 # exchange 19 1 16 298.15 -8461.23 -8393.73 -130.76 0.00 F 0.42 2 3 298.15 -8490.82 -8481.97 0.00 -8.43 F 0.32 3 2 298.15 -8471.76 -8478.82 15.21 0.00 F 0.21 4 5 298.15 -8413.23 -8366.39 0.00 -4.96 F 0.21 5 4 298.15 -8361.33 -8406.79 13.57 0.00 F 0.32 6 7 298.15 -8408.97 -8372.57 0.00 -1.78 F 0.63 7 6 298.15 -8359.73 -8394.95 13.72 0.00 F 0.32 8 9 298.15 -8437.31 -8443.70 0.00 4.99 F 0.00 9 8 298.15 -8431.07 -8423.17 11.29 0.00 F 0.63 10 11 298.15 -8350.51 -8344.99 0.00 7.70 F 0.42 11 10 298.15 -8342.36 -8345.97 9.88 0.00 F 0.63 12 13 298.15 -8345.78 -8448.47 0.00 7.33 F 0.32 13 12 298.15 -8453.61 -8350.69 5.43 0.00 F 0.32 14 15 298.15 -8389.61 -8388.32 0.00 10.92 F 0.32 15 14 298.15 -8386.38 -8386.11 4.28 0.00 F 0.11 16 1 298.15 -8415.08 -8329.68 0.00 11.31 F 0.00 # exchange 20 1 2 298.15 -8467.80 -8536.49 0.00 -8.53 F 0.40 2 1 298.15 -8518.42 -8449.16 30.55 0.00 F 0.30 3 4 298.15 -8417.37 -8484.26 0.00 -3.25 T 0.30 4 3 298.15 -8477.12 -8410.29 14.66 0.00 T 0.20 5 6 298.15 -8445.67 -8420.43 0.00 -5.83 F 0.30 6 5 298.15 -8408.88 -8433.55 12.65 0.00 F 0.60 7 8 298.15 -8381.11 -8445.81 0.00 3.03 F 0.30 8 7 298.15 -8446.18 -8380.38 8.21 0.00 F 0.00 9 10 298.15 -8397.33 -8384.37 0.00 0.37 F 0.60 10 9 298.15 -8376.53 -8388.81 11.56 0.00 F 0.40 11 12 298.15 -8315.93 -8395.59 0.00 6.13 T 0.70 12 11 298.15 -8398.95 -8319.71 3.62 0.00 T 0.30 13 14 298.15 -8352.55 -8407.01 0.00 6.63 F 0.30 14 13 298.15 -8406.97 -8350.87 -0.73 0.00 F 0.30 15 16 298.15 -8377.42 -8339.91 0.00 14.23 F 0.10 16 15 298.15 -8344.34 -8381.23 7.48 0.00 F 0.00 # exchange 21 1 16 298.15 -8519.47 -8431.14 -130.82 0.00 F 0.38 2 3 298.15 -8491.45 -8484.20 0.00 -8.48 F 0.29 3 2 298.15 -8471.97 -8477.96 15.15 0.00 F 0.29 4 5 298.15 -8400.46 -8438.14 0.00 -5.02 F 0.19 5 4 298.15 -8423.54 -8383.80 13.78 0.00 F 0.29 6 7 298.15 -8392.31 -8379.65 0.00 -1.83 F 0.57 7 6 298.15 -8363.97 -8375.17 14.44 0.00 F 0.29 8 9 298.15 -8399.30 -8343.07 0.00 4.94 F 0.00 9 8 298.15 -8340.92 -8396.75 11.23 0.00 F 0.57 10 11 298.15 -8363.05 -8424.97 0.00 7.64 F 0.38 11 10 298.15 -8427.19 -8363.57 9.82 0.00 F 0.67 12 13 298.15 -8435.69 -8380.85 0.00 7.28 T 0.38 13 12 298.15 -8377.13 -8432.08 5.38 0.00 T 0.29 14 15 298.15 -8417.68 -8443.32 0.00 10.86 F 0.29 15 14 298.15 -8449.68 -8423.77 4.22 0.00 F 0.10 16 1 298.15 -8432.00 -8380.67 0.00 11.26 F 0.00 # exchange 22 1 2 298.15 -8458.40 -8445.46 0.00 -8.59 F 0.36 2 1 298.15 -8424.36 -8436.97 30.49 0.00 F 0.27 3 4 298.15 -8383.38 -8362.21 0.00 -3.30 F 0.27 4 3 298.15 -8353.31 -8373.37 14.60 0.00 F 0.18 5 6 298.15 -8429.62 -8377.94 0.00 -5.89 T 0.36 6 5 298.15 -8369.33 -8421.19 12.59 0.00 T 0.55 7 8 298.15 -8382.20 -8426.27 0.00 2.97 T 0.36 8 7 298.15 -8426.47 -8381.84 8.15 0.00 T 0.00 9 10 298.15 -8353.33 -8341.81 0.00 0.31 T 0.64 10 9 298.15 -8335.02 -8346.66 11.50 0.00 T 0.36 11 12 298.15 -8352.52 -8334.02 0.00 6.08 F 0.64 12 11 298.15 -8329.14 -8346.71 3.93 0.00 F 0.36 13 14 298.15 -8332.46 -8379.79 0.00 6.59 F 0.27 14 13 298.15 -8386.99 -8338.45 -0.78 0.00 F 0.27 15 16 298.15 -8351.01 -8381.86 0.00 14.17 F 0.09 16 15 298.15 -8387.15 -8353.95 7.42 0.00 F 0.00 # exchange 23 1 16 298.15 -8405.97 -8433.82 -130.87 0.00 F 0.35 2 3 298.15 -8443.44 -8435.41 0.00 -8.48 F 0.26 3 2 298.15 -8427.29 -8434.96 15.10 0.00 F 0.26 4 5 298.15 -8364.75 -8410.21 0.00 -3.74 F 0.17 5 4 298.15 -8408.73 -8362.42 13.73 0.00 F 0.35 6 7 298.15 -8378.54 -8426.79 0.00 -1.88 T 0.61 7 6 298.15 -8422.33 -8375.20 14.39 0.00 T 0.35 8 9 298.15 -8464.35 -8436.80 0.00 4.89 F 0.00 9 8 298.15 -8432.47 -8458.96 11.18 0.00 F 0.61 10 11 298.15 -8393.43 -8356.26 0.00 7.59 T 0.43 11 10 298.15 -8345.48 -8382.80 9.99 0.00 T 0.61 12 13 298.15 -8324.77 -8415.63 0.00 7.23 F 0.35 13 12 298.15 -8418.27 -8326.98 5.33 0.00 F 0.26 14 15 298.15 -8365.33 -8360.97 0.00 10.81 T 0.35 15 14 298.15 -8360.92 -8365.60 4.17 0.00 T 0.09 16 1 298.15 -8440.70 -8267.47 0.00 11.21 F 0.00 # exchange 24 1 2 298.15 -8509.03 -8473.59 0.00 -8.64 T 0.42 2 1 298.15 -8457.17 -8492.57 30.44 0.00 T 0.25 3 4 298.15 -8404.38 -8426.47 0.00 -3.35 T 0.33 4 3 298.15 -8409.05 -8387.00 16.01 0.00 T 0.17 5 6 298.15 -8365.23 -8442.34 0.00 -5.94 T 0.42 6 5 298.15 -8427.80 -8351.21 13.27 0.00 T 0.58 7 8 298.15 -8391.22 -8382.75 0.00 2.92 T 0.42 8 7 298.15 -8374.72 -8383.85 8.14 0.00 T 0.00 9 10 298.15 -8385.34 -8360.92 0.00 0.27 F 0.58 10 9 298.15 -8362.45 -8384.80 11.45 0.00 F 0.42 11 12 298.15 -8404.13 -8404.94 0.00 6.02 F 0.58 12 11 298.15 -8398.94 -8396.63 4.70 0.00 F 0.33 13 14 298.15 -8369.06 -8380.25 0.00 7.04 T 0.33 14 13 298.15 -8388.97 -8377.23 -0.83 0.00 T 0.33 15 16 298.15 -8477.57 -8395.11 0.00 14.12 F 0.08 16 15 298.15 -8393.39 -8474.02 7.37 0.00 F 0.00 # exchange 25 1 16 298.15 -8503.42 -8390.83 -130.92 0.00 F 0.40 2 3 298.15 -8420.35 -8446.47 0.00 -8.53 F 0.24 3 2 298.15 -8433.68 -8406.01 15.05 0.00 F 0.32 4 5 298.15 -8373.13 -8456.85 0.00 -3.13 T 0.24 5 4 298.15 -8454.34 -8371.28 13.68 0.00 T 0.40 6 7 298.15 -8416.34 -8449.44 0.00 -1.93 F 0.56 7 6 298.15 -8444.79 -8410.52 14.34 0.00 F 0.40 8 9 298.15 -8396.59 -8472.97 0.00 4.84 T 0.08 9 8 298.15 -8465.34 -8388.51 11.13 0.00 T 0.56 10 11 298.15 -8421.59 -8403.47 0.00 7.54 F 0.40 11 10 298.15 -8408.08 -8424.99 9.95 0.00 F 0.56 12 13 298.15 -8383.66 -8434.85 0.00 7.18 T 0.40 13 12 298.15 -8432.74 -8381.21 5.28 0.00 T 0.32 14 15 298.15 -8420.63 -8341.80 0.00 10.76 F 0.32 15 14 298.15 -8343.65 -8421.79 4.12 0.00 F 0.08 16 1 298.15 -8397.57 -8366.64 0.00 11.16 F 0.00 # exchange 26 1 2 298.15 -8427.85 -8463.81 0.00 -8.69 F 0.38 2 1 298.15 -8451.48 -8415.15 30.39 0.00 F 0.23 3 4 298.15 -8410.85 -8460.75 0.00 -3.40 T 0.38 4 3 298.15 -8449.27 -8399.75 15.96 0.00 T 0.23 5 6 298.15 -8296.01 -8393.21 0.00 -0.98 F 0.38 6 5 298.15 -8394.26 -8296.55 13.22 0.00 F 0.54 7 8 298.15 -8439.10 -8432.21 0.00 2.87 F 0.38 8 7 298.15 -8423.51 -8430.11 8.21 0.00 F 0.08 9 10 298.15 -8346.03 -8434.59 0.00 0.93 T 0.62 10 9 298.15 -8437.30 -8348.26 11.40 0.00 T 0.38 11 12 298.15 -8417.15 -8382.50 0.00 5.98 F 0.54 12 11 298.15 -8383.30 -8416.80 4.65 0.00 F 0.38 13 14 298.15 -8431.38 -8378.24 0.00 9.24 F 0.31 14 13 298.15 -8390.73 -8442.13 -0.88 0.00 F 0.31 15 16 298.15 -8453.18 -8376.85 0.00 14.07 F 0.08 16 15 298.15 -8380.23 -8453.62 7.32 0.00 F 0.00 # exchange 27 1 16 298.15 -8463.61 -8335.54 -130.96 0.00 F 0.37 2 3 298.15 -8478.23 -8470.84 0.00 -8.56 F 0.22 3 2 298.15 -8461.96 -8469.05 15.01 0.00 F 0.37 4 5 298.15 -8446.38 -8416.29 0.00 -3.18 T 0.30 5 4 298.15 -8405.75 -8435.01 13.64 0.00 T 0.37 6 7 298.15 -8433.07 -8383.90 0.00 -0.43 F 0.52 7 6 298.15 -8385.93 -8434.16 14.30 0.00 F 0.37 8 9 298.15 -8359.15 -8407.08 0.00 4.79 T 0.15 9 8 298.15 -8405.41 -8357.50 11.09 0.00 T 0.59 10 11 298.15 -8416.13 -8391.72 0.00 7.50 F 0.37 11 10 298.15 -8395.15 -8418.89 9.90 0.00 F 0.52 12 13 298.15 -8294.37 -8428.77 0.00 7.13 F 0.37 13 12 298.15 -8429.15 -8292.84 5.24 0.00 F 0.30 14 15 298.15 -8413.09 -8430.25 0.00 10.72 T 0.37 15 14 298.15 -8435.10 -8417.13 4.08 0.00 T 0.07 16 1 298.15 -8333.67 -8313.31 0.00 11.11 F 0.00 # exchange 28 1 2 298.15 -8489.95 -8487.92 0.00 -8.73 T 0.43 2 1 298.15 -8462.28 -8464.51 30.35 0.00 T 0.21 3 4 298.15 -8495.28 -8421.80 0.00 -3.44 F 0.36 4 3 298.15 -8406.07 -8479.00 15.95 0.00 F 0.29 5 6 298.15 -8435.89 -8401.85 0.00 -1.03 F 0.36 6 5 298.15 -8392.91 -8425.46 13.18 0.00 F 0.50 7 8 298.15 -8375.86 -8456.36 0.00 2.83 T 0.43 8 7 298.15 -8452.41 -8371.96 8.16 0.00 T 0.14 9 10 298.15 -8425.40 -8380.36 0.00 0.89 F 0.57 10 9 298.15 -8377.31 -8421.16 11.36 0.00 F 0.36 11 12 298.15 -8368.88 -8313.39 0.00 5.93 F 0.50 12 11 298.15 -8313.50 -8367.85 4.61 0.00 F 0.36 13 14 298.15 -8356.63 -8431.83 0.00 9.20 F 0.29 14 13 298.15 -8426.40 -8349.76 3.86 0.00 F 0.36 15 16 298.15 -8346.46 -8402.21 0.00 14.03 F 0.07 16 15 298.15 -8411.15 -8351.45 7.28 0.00 F 0.00 # exchange 29 1 16 298.15 -8468.61 -8405.31 -131.00 0.00 F 0.41 2 3 298.15 -8501.90 -8495.07 0.00 -8.60 T 0.28 3 2 298.15 -8480.50 -8487.30 14.99 0.00 T 0.34 4 5 298.15 -8362.19 -8445.00 0.00 -3.22 F 0.28 5 4 298.15 -8439.74 -8355.83 13.60 0.00 F 0.34 6 7 298.15 -8369.28 -8391.49 0.00 -0.47 F 0.48 7 6 298.15 -8390.50 -8367.51 14.26 0.00 F 0.41 8 9 298.15 -8395.79 -8417.51 0.00 4.75 T 0.21 9 8 298.15 -8402.63 -8380.63 13.29 0.00 T 0.55 10 11 298.15 -8370.21 -8374.63 0.00 7.46 F 0.34 11 10 298.15 -8382.22 -8376.15 9.86 0.00 F 0.48 12 13 298.15 -8389.84 -8362.45 0.00 7.09 T 0.41 13 12 298.15 -8359.78 -8388.03 5.20 0.00 T 0.28 14 15 298.15 -8385.49 -8438.50 0.00 10.68 T 0.41 15 14 298.15 -8435.07 -8381.24 4.05 0.00 T 0.07 16 1 298.15 -8420.74 -8317.68 0.00 11.07 F 0.00 # exchange 30 1 2 298.15 -8430.07 -8486.75 0.00 4.72 F 0.40 2 1 298.15 -8493.54 -8436.40 30.31 0.00 F 0.27 3 4 298.15 -8415.81 -8447.83 0.00 -3.49 F 0.33 4 3 298.15 -8432.54 -8398.48 15.92 0.00 F 0.27 5 6 298.15 -8410.85 -8430.92 0.00 -1.07 F 0.33 6 5 298.15 -8423.04 -8401.93 13.14 0.00 F 0.47 7 8 298.15 -8473.89 -8414.34 0.00 2.79 F 0.40 8 7 298.15 -8392.51 -8450.86 20.22 0.00 F 0.20 9 10 298.15 -8362.76 -8335.81 0.00 0.84 F 0.53 10 9 298.15 -8319.67 -8345.76 14.54 0.00 F 0.33 11 12 298.15 -8404.53 -8385.73 0.00 5.89 T 0.53 12 11 298.15 -8374.34 -8393.43 9.79 0.00 T 0.40 13 14 298.15 -8404.43 -8505.19 0.00 9.15 F 0.27 14 13 298.15 -8508.71 -8406.61 3.82 0.00 F 0.40 15 16 298.15 -8419.68 -8360.33 0.00 13.99 T 0.13 16 15 298.15 -8364.21 -8423.32 7.23 0.00 T 0.00 # exchange 31 1 16 298.15 -8522.95 -8450.66 -131.04 0.00 F 0.39 2 3 298.15 -8460.91 -8440.32 0.00 -8.64 T 0.32 3 2 298.15 -8428.21 -8450.14 14.95 0.00 T 0.32 4 5 298.15 -8430.13 -8456.30 0.00 -3.26 F 0.26 5 4 298.15 -8443.87 -8416.80 13.56 0.00 F 0.32 6 7 298.15 -8363.76 -8427.17 0.00 -0.51 F 0.45 7 6 298.15 -8425.41 -8360.20 14.22 0.00 F 0.39 8 9 298.15 -8350.89 -8380.57 0.00 4.72 F 0.19 9 8 298.15 -8386.12 -8354.00 13.25 0.00 F 0.52 10 11 298.15 -8399.11 -8421.70 0.00 7.50 T 0.39 11 10 298.15 -8430.07 -8406.99 9.82 0.00 T 0.52 12 13 298.15 -8358.74 -8415.32 0.00 7.06 T 0.45 13 12 298.15 -8414.32 -8357.53 5.16 0.00 T 0.26 14 15 298.15 -8423.95 -8401.66 0.00 10.64 T 0.45 15 14 298.15 -8404.24 -8426.61 4.02 0.00 T 0.13 16 1 298.15 -8456.78 -8384.59 0.00 11.04 F 0.00 # exchange 32 1 2 298.15 -8404.85 -8423.60 0.00 4.68 F 0.38 2 1 298.15 -8407.58 -8388.78 30.27 0.00 F 0.31 3 4 298.15 -8402.20 -8418.24 0.00 -3.52 F 0.31 4 3 298.15 -8404.31 -8387.40 15.88 0.00 F 0.25 5 6 298.15 -8375.90 -8393.74 0.00 -1.10 F 0.31 6 5 298.15 -8381.85 -8363.93 13.10 0.00 F 0.44 7 8 298.15 -8483.20 -8419.76 0.00 2.75 F 0.38 8 7 298.15 -8417.15 -8478.24 20.18 0.00 F 0.19 9 10 298.15 -8387.43 -8464.05 0.00 0.81 T 0.56 10 9 298.15 -8461.30 -8384.63 14.51 0.00 T 0.38 11 12 298.15 -8404.56 -8453.55 0.00 5.85 T 0.56 12 11 298.15 -8451.58 -8402.95 9.75 0.00 T 0.44 13 14 298.15 -8405.66 -8389.54 0.00 9.12 T 0.31 14 13 298.15 -8388.03 -8403.41 3.79 0.00 T 0.44 15 16 298.15 -8396.19 -8370.47 0.00 13.95 T 0.19 16 15 298.15 -8369.63 -8395.47 7.20 0.00 T 0.00 # exchange 33 1 16 298.15 -8363.70 -8320.83 -131.08 0.00 F 0.36 2 3 298.15 -8565.21 -8497.12 0.00 -8.67 F 0.30 3 2 298.15 -8469.59 -8535.91 25.85 0.00 F 0.30 4 5 298.15 -8427.76 -8376.41 0.00 -3.29 T 0.30 5 4 298.15 -8367.26 -8418.90 13.53 0.00 T 0.30 6 7 298.15 -8393.13 -8423.06 0.00 -0.54 F 0.42 7 6 298.15 -8412.28 -8381.67 14.18 0.00 F 0.36 8 9 298.15 -8422.35 -8341.93 0.00 4.68 T 0.24 9 8 298.15 -8333.53 -8414.37 13.21 0.00 T 0.55 10 11 298.15 -8390.28 -8399.82 0.00 7.46 F 0.36 11 10 298.15 -8401.68 -8390.96 9.79 0.00 F 0.55 12 13 298.15 -8375.46 -8318.02 0.00 7.02 F 0.42 13 12 298.15 -8323.70 -8380.32 5.12 0.00 F 0.30 14 15 298.15 -8370.51 -8415.37 0.00 10.61 F 0.42 15 14 298.15 -8413.66 -8367.46 3.98 0.00 F 0.18 16 1 298.15 -8312.82 -8222.89 0.00 11.00 F 0.00 # exchange 34 1 2 298.15 -8430.16 -8517.51 0.00 4.65 T 0.41 2 1 298.15 -8503.06 -8415.50 30.23 0.00 T 0.29 3 4 298.15 -8390.34 -8442.48 0.00 -3.56 T 0.35 4 3 298.15 -8420.93 -8368.31 19.87 0.00 T 0.29 5 6 298.15 -8351.80 -8371.31 0.00 0.26 F 0.29 6 5 298.15 -8375.51 -8353.68 13.07 0.00 F 0.41 7 8 298.15 -8429.59 -8386.57 0.00 2.71 F 0.35 8 7 298.15 -8385.96 -8427.32 20.14 0.00 F 0.24 9 10 298.15 -8390.63 -8383.40 0.00 0.77 T 0.59 10 9 298.15 -8380.24 -8387.39 14.47 0.00 T 0.35 11 12 298.15 -8390.45 -8419.38 0.00 5.82 F 0.53 12 11 298.15 -8422.68 -8392.71 9.71 0.00 F 0.41 13 14 298.15 -8308.33 -8379.82 0.00 9.08 F 0.29 14 13 298.15 -8372.80 -8300.99 5.37 0.00 F 0.41 15 16 298.15 -8433.19 -8362.64 0.00 13.92 T 0.24 16 15 298.15 -8373.46 -8442.71 7.16 0.00 T 0.00 # exchange 35 1 16 298.15 -8496.05 -8414.91 -131.11 0.00 F 0.40 2 3 298.15 -8368.78 -8505.00 0.00 -8.68 T 0.34 3 2 298.15 -8496.60 -8359.84 25.82 0.00 T 0.34 4 5 298.15 -8444.12 -8411.15 0.00 -3.33 F 0.29 5 4 298.15 -8406.46 -8438.78 13.49 0.00 F 0.29 6 7 298.15 -8422.13 -8423.89 0.00 -0.58 F 0.40 7 6 298.15 -8418.49 -8416.11 14.15 0.00 F 0.34 8 9 298.15 -8429.35 -8417.82 0.00 4.65 T 0.29 9 8 298.15 -8410.42 -8421.40 13.18 0.00 T 0.57 10 11 298.15 -8401.34 -8382.89 0.00 7.43 T 0.40 11 10 298.15 -8380.60 -8398.77 9.75 0.00 T 0.51 12 13 298.15 -8410.24 -8422.50 0.00 6.99 F 0.40 13 12 298.15 -8423.45 -8410.22 5.09 0.00 F 0.29 14 15 298.15 -8326.31 -8366.63 0.00 10.57 F 0.40 15 14 298.15 -8373.15 -8332.47 3.95 0.00 F 0.23 16 1 298.15 -8405.53 -8344.70 0.00 10.97 F 0.00 # exchange 36 1 2 298.15 -8436.36 -8424.64 0.00 4.61 F 0.39 2 1 298.15 -8408.38 -8419.38 30.20 0.00 F 0.33 3 4 298.15 -8405.48 -8392.65 0.00 -3.59 F 0.33 4 3 298.15 -8377.64 -8389.59 19.84 0.00 F 0.28 5 6 298.15 -8437.30 -8447.07 0.00 0.23 T 0.33 6 5 298.15 -8437.13 -8427.00 13.03 0.00 T 0.39 7 8 298.15 -8453.27 -8390.08 0.00 2.68 F 0.33 8 7 298.15 -8389.35 -8450.17 20.11 0.00 F 0.28 9 10 298.15 -8329.99 -8289.93 0.00 0.75 F 0.56 10 9 298.15 -8291.08 -8329.94 14.44 0.00 F 0.39 11 12 298.15 -8368.65 -8369.46 0.00 5.78 T 0.56 12 11 298.15 -8368.36 -8367.90 9.68 0.00 T 0.39 13 14 298.15 -8386.91 -8453.73 0.00 9.05 F 0.28 14 13 298.15 -8458.54 -8390.96 5.34 0.00 F 0.39 15 16 298.15 -8369.99 -8370.79 0.00 13.88 F 0.22 16 15 298.15 -8373.54 -8370.80 7.13 0.00 F 0.00 # exchange 37 1 16 298.15 -8407.03 -8381.86 -131.14 0.00 F 0.38 2 3 298.15 -8456.59 -8401.66 0.00 -8.72 T 0.38 3 2 298.15 -8390.41 -8444.93 25.79 0.00 T 0.32 4 5 298.15 -8320.59 -8349.63 0.00 -3.36 T 0.32 5 4 298.15 -8330.57 -8302.11 17.32 0.00 T 0.32 6 7 298.15 -8377.36 -8477.98 0.00 -0.61 F 0.38 7 6 298.15 -8466.45 -8365.04 14.12 0.00 F 0.32 8 9 298.15 -8383.35 -8347.66 0.00 4.62 T 0.32 9 8 298.15 -8348.88 -8384.64 13.15 0.00 T 0.54 10 11 298.15 -8431.34 -8341.55 0.00 7.40 T 0.43 11 10 298.15 -8335.29 -8425.13 9.72 0.00 T 0.54 12 13 298.15 -8362.10 -8413.94 0.00 6.95 T 0.43 13 12 298.15 -8408.91 -8356.26 5.09 0.00 T 0.27 14 15 298.15 -8443.65 -8425.40 0.00 10.54 F 0.38 15 14 298.15 -8435.17 -8449.92 3.91 0.00 F 0.22 16 1 298.15 -8377.07 -8274.05 0.00 10.94 F 0.00 # exchange 38 1 2 298.15 -8550.59 -8517.73 0.00 4.58 F 0.37 2 1 298.15 -8504.69 -8537.07 30.17 0.00 F 0.37 3 4 298.15 -8465.48 -8398.64 0.00 -3.63 F 0.32 4 3 298.15 -8392.31 -8458.27 19.80 0.00 F 0.32 5 6 298.15 -8406.36 -8433.15 0.00 0.20 F 0.32 6 5 298.15 -8419.20 -8391.43 13.14 0.00 F 0.37 7 8 298.15 -8365.85 -8426.62 0.00 2.65 F 0.32 8 7 298.15 -8416.71 -8355.40 20.08 0.00 F 0.32 9 10 298.15 -8380.40 -8423.16 0.00 0.77 T 0.58 10 9 298.15 -8423.92 -8381.52 14.40 0.00 T 0.42 11 12 298.15 -8424.65 -8403.76 0.00 5.75 T 0.58 12 11 298.15 -8402.99 -8424.19 9.65 0.00 T 0.42 13 14 298.15 -8428.79 -8420.66 0.00 9.01 F 0.26 14 13 298.15 -8417.43 -8424.79 5.31 0.00 F 0.37 15 16 298.15 -8477.29 -8436.06 0.00 13.85 T 0.26 16 15 298.15 -8428.07 -8470.80 7.22 0.00 T 0.00 # exchange 39 1 16 298.15 -8480.86 -8380.23 -131.17 0.00 F 0.36 2 3 298.15 -8461.13 -8452.88 0.00 -8.75 T 0.41 3 2 298.15 -8440.60 -8449.67 25.76 0.00 T 0.31 4 5 298.15 -8470.98 -8498.55 0.00 -3.38 F 0.31 5 4 298.15 -8494.64 -8466.73 17.29 0.00 F 0.31 6 7 298.15 -8396.77 -8371.17 0.00 -0.64 F 0.36 7 6 298.15 -8366.93 -8392.14 14.09 0.00 F 0.31 8 9 298.15 -8410.90 -8395.80 0.00 4.59 F 0.31 9 8 298.15 -8393.78 -8407.01 13.12 0.00 F 0.56 10 11 298.15 -8402.16 -8407.07 0.00 7.37 F 0.41 11 10 298.15 -8409.39 -8404.29 9.69 0.00 F 0.56 12 13 298.15 -8351.80 -8343.55 0.00 6.92 F 0.41 13 12 298.15 -8347.88 -8354.97 5.06 0.00 F 0.26 14 15 298.15 -8359.14 -8396.74 0.00 10.51 F 0.36 15 14 298.15 -8400.60 -8362.62 3.88 0.00 F 0.26 16 1 298.15 -8381.57 -8331.03 0.00 10.91 F 0.00 # exchange 40 1 2 298.15 -8441.58 -8449.97 0.00 4.55 F 0.35 2 1 298.15 -8441.89 -8432.79 30.14 0.00 F 0.40 3 4 298.15 -8431.66 -8345.92 0.00 -3.66 T 0.35 4 3 298.15 -8336.22 -8422.48 19.77 0.00 T 0.30 5 6 298.15 -8499.82 -8428.24 0.00 0.17 F 0.30 6 5 298.15 -8413.52 -8483.90 13.44 0.00 F 0.35 7 8 298.15 -8356.60 -8509.79 0.00 2.62 F 0.30 8 7 298.15 -8510.71 -8356.33 20.05 0.00 F 0.30 9 10 298.15 -8416.84 -8379.66 0.00 0.74 T 0.60 10 9 298.15 -8373.98 -8411.96 14.37 0.00 T 0.40 11 12 298.15 -8346.22 -8419.91 0.00 5.72 T 0.60 12 11 298.15 -8416.40 -8342.43 9.62 0.00 T 0.40 13 14 298.15 -8370.37 -8333.98 0.00 8.99 F 0.25 14 13 298.15 -8342.57 -8377.62 5.28 0.00 F 0.35 15 16 298.15 -8306.91 -8312.76 0.00 13.82 F 0.25 16 15 298.15 -8319.55 -8312.38 7.19 0.00 F 0.00 # exchange 41 1 16 298.15 -8427.37 -8335.82 -131.20 0.00 F 0.34 2 3 298.15 -8429.18 -8412.97 0.00 -8.78 T 0.44 3 2 298.15 -8399.98 -8416.25 25.73 0.00 T 0.34 4 5 298.15 -8444.51 -8446.77 0.00 -3.41 T 0.34 5 4 298.15 -8436.36 -8435.77 17.26 0.00 T 0.29 6 7 298.15 -8367.92 -8375.16 0.00 -0.67 T 0.39 7 6 298.15 -8370.24 -8362.37 14.06 0.00 T 0.29 8 9 298.15 -8467.71 -8378.48 0.00 4.56 T 0.34 9 8 298.15 -8365.85 -8455.66 13.10 0.00 T 0.59 10 11 298.15 -8430.50 -8382.39 0.00 7.34 T 0.44 11 10 298.15 -8386.28 -8433.60 9.66 0.00 T 0.59 12 13 298.15 -8384.46 -8367.36 0.00 6.90 T 0.44 13 12 298.15 -8371.96 -8390.39 5.03 0.00 T 0.24 14 15 298.15 -8484.06 -8329.41 0.00 10.48 T 0.39 15 14 298.15 -8335.52 -8489.99 3.86 0.00 T 0.24 16 1 298.15 -8357.08 -8267.43 0.00 10.88 F 0.00 # exchange 42 1 2 298.15 -8453.50 -8431.09 0.00 4.52 F 0.33 2 1 298.15 -8420.59 -8441.81 30.11 0.00 F 0.43 3 4 298.15 -8385.47 -8441.57 0.00 -3.68 F 0.33 4 3 298.15 -8434.78 -8378.13 19.74 0.00 F 0.33 5 6 298.15 -8394.73 -8399.28 0.00 0.14 F 0.29 6 5 298.15 -8383.03 -8377.70 14.54 0.00 F 0.38 7 8 298.15 -8444.40 -8365.63 0.00 2.59 F 0.29 8 7 298.15 -8355.38 -8432.59 20.02 0.00 F 0.33 9 10 298.15 -8427.88 -8452.75 0.00 0.71 F 0.57 10 9 298.15 -8443.95 -8418.16 14.34 0.00 F 0.43 11 12 298.15 -8430.70 -8380.45 0.00 5.69 T 0.62 12 11 298.15 -8373.32 -8423.41 9.59 0.00 T 0.43 13 14 298.15 -8355.14 -8396.28 0.00 8.96 T 0.29 14 13 298.15 -8398.45 -8357.10 5.25 0.00 T 0.38 15 16 298.15 -8413.11 -8390.54 0.00 13.79 F 0.24 16 15 298.15 -8403.72 -8424.92 7.16 0.00 F 0.00 # exchange 43 1 16 298.15 -8452.71 -8349.75 -131.23 0.00 F 0.33 2 3 298.15 -8457.71 -8504.18 0.00 -8.37 F 0.42 3 2 298.15 -8498.35 -8450.78 25.70 0.00 F 0.33 4 5 298.15 -8443.00 -8412.50 0.00 -3.44 F 0.33 5 4 298.15 -8392.82 -8422.34 18.02 0.00 F 0.28 6 7 298.15 -8386.79 -8367.40 0.00 2.10 T 0.42 7 6 298.15 -8370.58 -8390.72 14.03 0.00 T 0.28 8 9 298.15 -8410.03 -8385.07 0.00 4.53 T 0.37 9 8 298.15 -8385.96 -8410.33 13.07 0.00 T 0.56 10 11 298.15 -8373.18 -8352.56 0.00 7.31 F 0.42 11 10 298.15 -8353.98 -8373.67 9.64 0.00 F 0.60 12 13 298.15 -8360.70 -8294.88 0.00 6.87 F 0.42 13 12 298.15 -8296.02 -8361.42 5.00 0.00 F 0.28 14 15 298.15 -8415.66 -8361.05 0.00 10.45 F 0.37 15 14 298.15 -8358.41 -8410.79 3.83 0.00 F 0.23 16 1 298.15 -8386.15 -8316.02 0.00 10.85 F 0.00 # exchange 44 1 2 298.15 -8424.75 -8391.76 0.00 4.49 T 0.36 2 1 298.15 -8379.44 -8413.61 30.08 0.00 T 0.41 3 4 298.15 -8448.80 -8486.81 0.00 -3.71 F 0.32 4 3 298.15 -8479.79 -8440.77 19.72 0.00 F 0.32 5 6 298.15 -8451.13 -8420.38 0.00 0.11 T 0.32 6 5 298.15 -8410.59 -8440.80 14.51 0.00 T 0.41 7 8 298.15 -8376.53 -8427.09 0.00 2.56 F 0.27 8 7 298.15 -8423.98 -8372.45 19.99 0.00 F 0.36 9 10 298.15 -8398.94 -8392.56 0.00 2.84 F 0.55 10 9 298.15 -8397.34 -8403.59 14.32 0.00 F 0.41 11 12 298.15 -8309.93 -8357.21 0.00 5.66 T 0.64 12 11 298.15 -8350.20 -8303.33 9.56 0.00 T 0.41 13 14 298.15 -8409.61 -8367.96 0.00 8.93 F 0.27 14 13 298.15 -8365.54 -8405.96 5.22 0.00 F 0.36 15 16 298.15 -8382.94 -8388.90 0.00 14.50 T 0.27 16 15 298.15 -8404.62 -8399.06 7.13 0.00 T 0.00 # exchange 45 1 16 298.15 -8404.90 -8401.87 -131.25 0.00 F 0.36 2 3 298.15 -8398.21 -8496.43 0.00 -8.40 F 0.40 3 2 298.15 -8485.45 -8386.11 25.67 0.00 F 0.31 4 5 298.15 -8473.44 -8462.34 0.00 -3.46 T 0.36 5 4 298.15 -8446.27 -8457.47 18.00 0.00 T 0.31 6 7 298.15 -8370.57 -8448.60 0.00 2.08 F 0.40 7 6 298.15 -8447.25 -8367.81 14.01 0.00 F 0.27 8 9 298.15 -8385.14 -8346.94 0.00 4.50 F 0.36 9 8 298.15 -8346.78 -8384.63 13.05 0.00 F 0.53 10 11 298.15 -8327.56 -8427.69 0.00 7.28 F 0.40 11 10 298.15 -8414.31 -8313.15 11.55 0.00 F 0.62 12 13 298.15 -8294.22 -8400.59 0.00 6.87 T 0.44 13 12 298.15 -8408.20 -8300.96 4.97 0.00 T 0.27 14 15 298.15 -8391.46 -8333.01 0.00 10.55 T 0.40 15 14 298.15 -8345.17 -8402.89 3.81 0.00 T 0.27 16 1 298.15 -8393.09 -8252.27 0.00 10.82 F 0.00 # exchange 46 1 2 298.15 -8452.48 -8412.21 0.00 4.47 F 0.35 2 1 298.15 -8393.08 -8431.85 30.05 0.00 F 0.39 3 4 298.15 -8398.87 -8372.81 0.00 1.15 F 0.30 4 3 298.15 -8376.33 -8401.88 19.69 0.00 F 0.35 5 6 298.15 -8398.15 -8418.13 0.00 0.09 F 0.30 6 5 298.15 -8403.78 -8383.47 14.50 0.00 F 0.39 7 8 298.15 -8390.56 -8454.36 0.00 2.53 F 0.26 8 7 298.15 -8445.54 -8381.21 19.96 0.00 F 0.35 9 10 298.15 -8417.63 -8330.35 0.00 2.81 T 0.57 10 9 298.15 -8328.57 -8415.62 14.29 0.00 T 0.39 11 12 298.15 -8409.18 -8396.93 0.00 5.64 T 0.65 12 11 298.15 -8384.38 -8397.16 10.77 0.00 T 0.43 13 14 298.15 -8419.81 -8406.09 0.00 8.90 T 0.30 14 13 298.15 -8405.11 -8418.81 5.20 0.00 T 0.39 15 16 298.15 -8421.50 -8432.66 0.00 14.47 T 0.30 16 15 298.15 -8437.62 -8426.04 7.11 0.00 T 0.00 # exchange 47 1 16 298.15 -8481.51 -8378.52 -131.28 0.00 F 0.34 2 3 298.15 -8386.69 -8450.74 0.00 -8.42 F 0.38 3 2 298.15 -8439.20 -8374.41 25.65 0.00 F 0.30 4 5 298.15 -8435.45 -8422.37 0.00 -3.49 F 0.34 5 4 298.15 -8417.43 -8430.09 17.97 0.00 F 0.30 6 7 298.15 -8453.06 -8330.18 0.00 2.05 T 0.43 7 6 298.15 -8318.02 -8441.33 13.98 0.00 T 0.26 8 9 298.15 -8442.82 -8396.76 0.00 4.48 T 0.38 9 8 298.15 -8384.66 -8430.26 13.03 0.00 T 0.55 10 11 298.15 -8432.99 -8333.45 0.00 7.26 F 0.38 11 10 298.15 -8337.90 -8436.62 11.52 0.00 F 0.64 12 13 298.15 -8303.83 -8425.30 0.00 6.84 T 0.47 13 12 298.15 -8427.40 -8304.71 4.95 0.00 T 0.30 14 15 298.15 -8404.70 -8398.48 0.00 10.53 F 0.38 15 14 298.15 -8392.44 -8398.04 4.41 0.00 F 0.30 16 1 298.15 -8380.18 -8336.63 0.00 10.80 F 0.00 # exchange 48 1 2 298.15 -8432.93 -8410.67 0.00 4.44 T 0.38 2 1 298.15 -8398.24 -8420.46 30.03 0.00 T 0.38 3 4 298.15 -8398.71 -8467.64 0.00 1.13 T 0.33 4 3 298.15 -8455.67 -8386.71 19.67 0.00 T 0.33 5 6 298.15 -8402.93 -8416.84 0.00 0.07 F 0.29 6 5 298.15 -8417.07 -8402.14 14.48 0.00 F 0.42 7 8 298.15 -8407.53 -8305.02 0.00 2.51 F 0.25 8 7 298.15 -8303.91 -8404.93 19.94 0.00 F 0.38 9 10 298.15 -8385.42 -8402.56 0.00 2.80 F 0.54 10 9 298.15 -8405.52 -8387.65 14.27 0.00 F 0.38 11 12 298.15 -8401.04 -8370.31 0.00 5.62 F 0.62 12 11 298.15 -8375.15 -8405.26 10.75 0.00 F 0.46 13 14 298.15 -8389.49 -8316.60 0.00 8.88 F 0.29 14 13 298.15 -8321.63 -8393.16 5.17 0.00 F 0.38 15 16 298.15 -8406.45 -8357.26 0.00 14.45 F 0.29 16 15 298.15 -8354.55 -8402.96 7.08 0.00 F 0.00 # exchange 49 1 16 298.15 -8449.56 -8398.31 -131.30 0.00 F 0.37 2 3 298.15 -8466.30 -8431.51 0.00 -8.45 F 0.37 3 2 298.15 -8415.34 -8449.58 25.62 0.00 F 0.33 4 5 298.15 -8376.90 -8415.94 0.00 -3.51 F 0.33 5 4 298.15 -8404.62 -8365.24 17.95 0.00 F 0.29 6 7 298.15 -8387.75 -8428.76 0.00 2.03 T 0.45 7 6 298.15 -8408.60 -8367.95 18.25 0.00 T 0.24 8 9 298.15 -8472.74 -8415.79 0.00 4.45 F 0.37 9 8 298.15 -8406.59 -8462.26 13.00 0.00 F 0.53 10 11 298.15 -8424.54 -8385.01 0.00 7.24 F 0.37 11 10 298.15 -8381.70 -8420.42 11.50 0.00 F 0.61 12 13 298.15 -8374.30 -8396.95 0.00 6.82 F 0.45 13 12 298.15 -8399.77 -8376.75 4.92 0.00 F 0.29 14 15 298.15 -8369.00 -8421.23 0.00 10.69 T 0.41 15 14 298.15 -8433.07 -8380.84 4.39 0.00 T 0.29 16 1 298.15 -8406.89 -8305.11 0.00 10.77 F 0.00 # exchange 50 1 2 298.15 -8396.32 -8415.06 0.00 4.42 F 0.36 2 1 298.15 -8402.09 -8382.96 30.00 0.00 F 0.36 3 4 298.15 -8422.06 -8495.03 0.00 1.10 F 0.32 4 3 298.15 -8476.97 -8403.76 19.64 0.00 F 0.32 5 6 298.15 -8416.79 -8415.90 0.00 0.04 F 0.28 6 5 298.15 -8410.89 -8410.86 14.45 0.00 F 0.44 7 8 298.15 -8326.87 -8425.24 0.00 2.64 F 0.24 8 7 298.15 -8429.20 -8330.53 19.91 0.00 F 0.36 9 10 298.15 -8470.81 -8355.17 0.00 2.77 T 0.56 10 9 298.15 -8352.92 -8469.39 14.24 0.00 T 0.36 11 12 298.15 -8390.01 -8414.45 0.00 5.59 F 0.60 12 11 298.15 -8416.44 -8390.51 10.72 0.00 F 0.44 13 14 298.15 -8338.87 -8328.79 0.00 8.85 F 0.28 14 13 298.15 -8333.53 -8342.16 5.15 0.00 F 0.40 15 16 298.15 -8383.89 -8435.68 0.00 14.42 T 0.32 16 15 298.15 -8445.79 -8393.64 7.06 0.00 T 0.00